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8k4t

Crystal structure of HLA-A*11:01 in complex with KRAS G12C peptide (VVVGACGVGK)

Method: X-RAY DIFFRACTION Dmax: 100.4 Å Quality: EXCELLENT
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1. Protein Identity and Related Structures Protein Identity & Related Structures

HLA class I histocompatibility antigen, A alpha chain

Homo sapiens

UniProt P04439

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain A； UniProt 25–299 Not recorded Beta-2-microglobulin × 1 （P61769） KRAS G12C peptide (VVVGACGVGK) × 1 （P01116） X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；293.15 K；Ammonium sulfate,Sodium cacodylate pH 6.0, PEG 4000 Resolution 2.30 Å R-free 0.316
2 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain D； UniProt 25–299 Not recorded Beta-2-microglobulin × 1 （P61769） KRAS G12C peptide (VVVGACGVGK) × 1 （P01116） X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；293.15 K；Ammonium sulfate,Sodium cacodylate pH 6.0, PEG 4000 Resolution 2.30 Å R-free 0.316

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 8K4T Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
2XPG Crystal structure of a MHC class I-peptide complex Deposited 2010-08-26 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–298（274 aa） Fragment：HEAVY CHAIN, RESIDUES 25-298
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；0.1 M BIS-TRIS-PROPANE, PH 8.0, 0.2 M NA/K PHOSPHATE, 20% (V/V) PEG3350
Resolution 2.60 Å R-free 0.247
3RL1 HIV RT derived peptide complexed to HLA-A*0301 Deposited 2011-04-19 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–298（274 aa） Fragment：residues in UNP 25-298
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.00 Å R-free 0.222
3RL2 HIV Nef derived peptide Nef73 complexed to HLA-A*0301 Deposited 2011-04-19 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–298（274 aa） Fragment：residues in UNP 25-298
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.2M calcium acetate hydrate, 0.1M Sodium cacodylate trihydrate, 18%(w/v) Polyethylene glycol 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.39 Å R-free 0.265
6ENY Structure of the human PLC editing module Deposited 2017-10-07 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric
Chain F 25–365（341 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 5.80 Å
6O9B Crystal structure of HLA-A3*01 in complex with a wild-type beta-catenin peptide Deposited 2019-03-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–304（280 aa） Fragment：UNP residues 25-304
Not recorded PG4 TETRAETHYLENE GLYCOL × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 3 IMD IMIDAZOLE × 2 PEG DI(HYDROXYETHYL)ETHER × 4 EDO 1,2-ETHANEDIOL × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；0.1 M MES/imidazole, pH 6.5, 0.03 M diethylene glycol, 0.03 M triethylene glycol, 0.03 M tetraethylene glycol, 0.03 M pentaethylene glycol, 20% PEG500 MME, 10% PEG20000
Resolution 2.20 Å R-free 0.227
6O9C Crystal structure of HLA-A3*01 in complex with a mutant beta-catenin peptide Deposited 2019-03-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–304（280 aa） Fragment：UNP residues 25-304
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 SO4 SULFATE ION × 10 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；0.1 M MES, pH 6.5, 0.2 M ammonium sulfate, 30% PEG5000 MME
Resolution 2.45 Å R-free 0.259
7L1B Crystal structure of HLA-A*03:01 in complex with a wild-type PIK3CA peptide Deposited 2020-12-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–298（274 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；10.00 % w/v Polyethylene glycol 8,000, 200 mM Calcium acetate, 100 mM HEPES; pH 7.5
Resolution 2.04 Å R-free 0.221
7L1C Crystal structure of HLA-A*03:01 in complex with a mutant PIK3CA peptide Deposited 2020-12-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–298（274 aa）
Not recorded GOL GLYCEROL × 5 FMT FORMIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；277.15 K；20% w/v Polyethylene glycol 3,350, 200 mM Ammonium formate, pH 6.6
Resolution 1.96 Å R-free 0.205
7L1D Crystal structure of human 21LT2-2 TCR bound to HLA-A*03:01 in complex with a mutant PIK3CA peptide Deposited 2020-12-14 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 25–298（274 aa）
Not recorded ACT ACETATE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；10% w/v Polyethylene glycol 8,000, 200mM Magnesium acetate
Resolution 3.11 Å R-free 0.250
7MLE Crystal Structure of HLA-A*03:01 in complex with VVRPSVASK, an 9-mer epitope from Influenza B virus Deposited 2021-04-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–301（277 aa）
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；1M trisodium citrate, 0.1M sodium cacodylate pH 6.5
Resolution 2.20 Å R-free 0.264
7PHR Structure of a fully assembled T-cell receptor engaging a tumor-associated peptide-MHC I Deposited 2021-08-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 11 PDB declaration: undecameric
Chain H 25–304（280 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.08 Å
7QPD Structure of the human MHC I peptide-loading complex editing module Deposited 2022-01-03 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric
Chain M 25–365（341 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.73 Å
7RK7 The complex between TIL 1383i TCR and human Class I MHC HLA-A2 with the bound Tyrosinase(369-377)(N371D) nonameric peptide Deposited 2021-07-22 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 25–299（275 aa） Fragment：UNP residues 25-299
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；16% PEG 3350, 2% tacsimate, 100mM Tris (pH 8.5)
Resolution 2.54 Å R-free 0.255
7RM4 Neoantigen p53R175H-specific TCR 6-11 binds to p53R175H-HLA-A2 Deposited 2021-07-26 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 25–299（275 aa） Fragment：UNP residues 25-299
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；20% (w/v) PEG 3350, 0.1 M Bis-Tris propane (pH 8.5), and 0.2 M Potassium thiocyanate
Resolution 3.33 Å R-free 0.295
7RM4 Neoantigen p53R175H-specific TCR 6-11 binds to p53R175H-HLA-A2 Deposited 2021-07-26 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain F 25–299（275 aa） Fragment：UNP residues 25-299
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；20% (w/v) PEG 3350, 0.1 M Bis-Tris propane (pH 8.5), and 0.2 M Potassium thiocyanate
Resolution 3.33 Å R-free 0.295
7RM4 Neoantigen p53R175H-specific TCR 6-11 binds to p53R175H-HLA-A2 Deposited 2021-07-26 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain K 25–299（275 aa） Fragment：UNP residues 25-299
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；20% (w/v) PEG 3350, 0.1 M Bis-Tris propane (pH 8.5), and 0.2 M Potassium thiocyanate
Resolution 3.33 Å R-free 0.295
7RM4 Neoantigen p53R175H-specific TCR 6-11 binds to p53R175H-HLA-A2 Deposited 2021-07-26 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain P 25–299（275 aa） Fragment：UNP residues 25-299
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；20% (w/v) PEG 3350, 0.1 M Bis-Tris propane (pH 8.5), and 0.2 M Potassium thiocyanate
Resolution 3.33 Å R-free 0.295
7RRG Crystal structure of human 0606T1-2 TCR bound to HLA-A*03:01 in complex with a mutant PIK3CA peptide Deposited 2021-08-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 25–298（274 aa）
Not recorded GOL GLYCEROL × 13 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277.15 K；12% w/v Polyethylene glycol 3,350, 100 mM Succinic acid
Resolution 2.12 Å R-free 0.221
7STF Structure of KRAS G12V/HLA-A*03:01 in complex with antibody fragment V2 Deposited 2021-11-12 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 25–304（280 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.14 Å
7UC5 Crystal Structure of HLA A*0301 in complex with ILRGSVAHK, a 9-mer epitope from Influenza A Deposited 2022-03-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–301（277 aa）
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；0.2 Ammonium Sulfate, 0.1 Bis-Tris propane pH 6.5, 22% PEG 3350
Resolution 1.95 Å R-free 0.229
7UC5 Crystal Structure of HLA A*0301 in complex with ILRGSVAHK, a 9-mer epitope from Influenza A Deposited 2022-03-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 25–301（277 aa）
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；0.2 Ammonium Sulfate, 0.1 Bis-Tris propane pH 6.5, 22% PEG 3350
Resolution 1.95 Å R-free 0.229
7UX3 Asymmetric unit of AP-1, Arf1, Nef lattice on MHC-I lipopeptide incorporated narrow membrane tubes Deposited 2022-05-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 9 PDB declaration: nonameric
Chain Y 334–365（32 aa）
Mutation：T345S, S349G, G355S, C363A GTP GUANOSINE-5'-TRIPHOSPHATE × 2 MG MAGNESIUM ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.2；HEPES/KOAc concentrated stocks are diluted to their final concentrations then pH'd to 7.2 with KOH prior to use in experiments.
cryo-EM vitrification conditions Cryogen ETHANE；60 second wait, 3-5 second blot, 597 filter paper, 0.5 second drain. Sample was supplemented with 10nm BSA-gold fiducials. 3.5ul of the mixture was double-side blotted.
Resolution 9.60 Å
8D4C beta-Arf1 mediated dimeric assembly of AP-1, Arf1, Nef complex within lattice on MHC-I lipopeptide incorporated narrow membrane tubes Deposited 2022-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 18 PDB declaration: octadecameric
Chain P 334–365（32 aa）
Chain Y 334–365（32 aa）
Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A GTP GUANOSINE-5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.2；HEPES/KOAc concentrated stocks are diluted to their final concentrations then pH'd to 7.2 with KOH prior to use in experiments.
cryo-EM vitrification conditions Cryogen ETHANE；60 second wait, 3-5 second blot, 597 filter paper, 0.5 second drain. Sample was supplemented with 10nm BSA-gold fiducials. 3.5ul of the mixture was double-side blotted.
Resolution 9.30 Å
8D4D gamma-Arf1 mediated dimeric assembly of AP-1, Arf1, Nef complex within lattice on MHC-I lipopeptide incorporated narrow membrane tubes Deposited 2022-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 18 PDB declaration: octadecameric
Chain P 334–365（32 aa）
Chain Y 334–365（32 aa）
Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A GTP GUANOSINE-5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.2；HEPES/KOAc concentrated stocks are diluted to their final concentrations then pH'd to 7.2 with KOH prior to use in experiments.
cryo-EM vitrification conditions Cryogen ETHANE；60 second wait, 3-5 second blot, 597 filter paper, 0.5 second drain. Sample was supplemented with 10nm BSA-gold fiducials. 3.5ul of the mixture was double-side blotted.
Resolution 9.60 Å
8D4E Asymmetric unit of AP-1, Arf1, Nef lattice on MHC-I lipopeptide incorporated wide(r) membrane tubes Deposited 2022-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 10 PDB declaration: decameric
Chain Y 334–365（32 aa）
Mutation：T345S, S349G, G355S, C363A GTP GUANOSINE-5'-TRIPHOSPHATE × 3 MG MAGNESIUM ION × 3 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.2；HEPES/KOAc concentrated stocks are diluted to their final concentrations then pH'd to 7.2 with KOH prior to use in experiments.
cryo-EM vitrification conditions Cryogen ETHANE；60 second wait, 3-5 second blot, 597 filter paper, 0.5 second drain. Sample was supplemented with 10nm BSA-gold fiducials. 3.5ul of the mixture was double-side blotted.
Resolution 9.20 Å
8D4F beta-Arf1 mediated dimeric assembly of AP-1, Arf1, Nef complex within lattice on MHC-I lipopeptide incorporated wide(r) membrane tubes Deposited 2022-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 20 PDB declaration: eicosameric
Chain P 334–365（32 aa）
Chain Y 334–365（32 aa）
Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A GTP GUANOSINE-5'-TRIPHOSPHATE × 6 MG MAGNESIUM ION × 6 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.2；HEPES/KOAc concentrated stocks are diluted to their final concentrations then pH'd to 7.2 with KOH prior to use in experiments.
cryo-EM vitrification conditions Cryogen ETHANE；60 second wait, 3-5 second blot, 597 filter paper, 0.5 second drain. Sample was supplemented with 10nm BSA-gold fiducials. 3.5ul of the mixture was double-side blotted.
Resolution 9.80 Å
8D4G gamma-Arf1 mediated dimeric assembly of AP-1, Arf1, Nef complex within lattice on MHC-I lipopeptide incorporated wide(r) membrane tubes Deposited 2022-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 20 PDB declaration: eicosameric
Chain P 334–365（32 aa）
Chain Y 334–365（32 aa）
Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A GTP GUANOSINE-5'-TRIPHOSPHATE × 6 MG MAGNESIUM ION × 6 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.2；HEPES/KOAc concentrated stocks are diluted to their final concentrations then pH'd to 7.2 with KOH prior to use in experiments.
cryo-EM vitrification conditions Cryogen ETHANE；60 second wait, 3-5 second blot, 597 filter paper, 0.5 second drain. Sample was supplemented with 10nm BSA-gold fiducials. 3.5ul of the mixture was double-side blotted.
Resolution 11.60 Å
8D9R AP-1, Arf1, Nef lattice on MHC-I lipopeptide incorporated wide membrane tubes, centered on gamma-Arf1 Deposited 2022-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 60 PDB declaration: 60-meric
Chain 0 334–365（32 aa） Fragment：MHC-I cytosolic tail (HLA-A/B)
Chain 1 334–365（32 aa） Fragment：MHC-I cytosolic tail (HLA-A/B)
Chain 2 334–365（32 aa） Fragment：MHC-I cytosolic tail (HLA-A/B)
Chain Y 334–365（32 aa） Fragment：MHC-I cytosolic tail (HLA-A/B)
Chain y 334–365（32 aa） Fragment：MHC-I cytosolic tail (HLA-A/B)
Chain z 334–365（32 aa） Fragment：MHC-I cytosolic tail (HLA-A/B)
Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A GTP GUANOSINE-5'-TRIPHOSPHATE × 18 MG MAGNESIUM ION × 18 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 20.00 Å
8D9S AP-1, Arf1, Nef lattice on MHC-I lipopeptide incorporated wide membrane tubes, centered on beta-Arf1 Deposited 2022-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 60 PDB declaration: 60-meric
Chain 0 334–365（32 aa）
Chain 1 334–365（32 aa）
Chain 2 334–365（32 aa）
Chain Y 334–365（32 aa）
Chain y 334–365（32 aa）
Chain z 334–365（32 aa）
Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A GTP GUANOSINE-5'-TRIPHOSPHATE × 18 MG MAGNESIUM ION × 18 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.2
cryo-EM vitrification conditions Cryogen NITROGEN
Resolution 20.00 Å
8D9T AP-1, Arf1, Nef lattice on MHC-I lipopeptide incorporated narrow membrane tubes, centered on gamma-Arf1 Deposited 2022-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 54 PDB declaration: 54-meric
Chain 0 334–365（32 aa）
Chain 1 334–365（32 aa）
Chain Y 334–365（32 aa）
Chain x 334–365（32 aa）
Chain y 334–365（32 aa）
Chain z 334–365（32 aa）
Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A GTP GUANOSINE-5'-TRIPHOSPHATE × 12 MG MAGNESIUM ION × 12 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.2
cryo-EM vitrification conditions Cryogen NITROGEN
Resolution 20.00 Å
8D9U AP-1, Arf1, Nef lattice on MHC-I lipopeptide incorporated narrow membrane tubes, centered on beta-Arf1 Deposited 2022-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 54 PDB declaration: 54-meric
Chain 0 334–365（32 aa）
Chain 1 334–365（32 aa）
Chain Y 334–365（32 aa）
Chain x 334–365（32 aa）
Chain y 334–365（32 aa）
Chain z 334–365（32 aa）
Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A GTP GUANOSINE-5'-TRIPHOSPHATE × 12 MG MAGNESIUM ION × 12 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.2
cryo-EM vitrification conditions Cryogen NITROGEN
Resolution 20.00 Å
8D9V gamma-Arf1 homodimeric interface within AP-1, Arf1, Nef lattice on narrow membrane tubes Deposited 2022-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 18 PDB declaration: octadecameric
Chain P 334–365（32 aa） Fragment：MHC-I cytosolic tail (HLA-A/B)
Chain Y 334–365（32 aa） Fragment：MHC-I cytosolic tail (HLA-A/B)
Mutation：T345S, S349G, G355S, C363S Mutation：T345S, S349G, G355S, C363S GTP GUANOSINE-5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 9.40 Å
8D9W beta-Arf1 homodimeric interface within AP-1, Arf1, Nef, MHC-I lattice on narrow tubes Deposited 2022-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 20 PDB declaration: eicosameric
Chain Y 334–365（32 aa）
Chain j 334–365（32 aa）
Mutation：T345S, S349G, G355S, C363A Mutation：T345S, S349G, G355S, C363A MG MAGNESIUM ION × 2 GTP GUANOSINE-5'-TRIPHOSPHATE × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 9.30 Å
8DVG Structure of KRAS WT(7-16)-HLA-A*03:01 Deposited 2022-07-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–304（280 aa） Fragment：UNP residues 25-304
Not recorded SO4 SULFATE ION × 13 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2M ammonium sulfate 0.1M sodium cacodylate pH 6.5 30 % w/v PEG 8,000
Resolution 2.59 Å R-free 0.228
8K4V Crystal structure of HLA-A*11:01 in complex with KRAS G12R peptide (VVVGARGVGK) Deposited 2023-07-20 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–299（275 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 3.10 Å R-free 0.347
8K4V Crystal structure of HLA-A*11:01 in complex with KRAS G12R peptide (VVVGARGVGK) Deposited 2023-07-20 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 25–299（275 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 3.10 Å R-free 0.347
8K4V Crystal structure of HLA-A*11:01 in complex with KRAS G12R peptide (VVVGARGVGK) Deposited 2023-07-20 Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain G 25–299（275 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 3.10 Å R-free 0.347
8K4V Crystal structure of HLA-A*11:01 in complex with KRAS G12R peptide (VVVGARGVGK) Deposited 2023-07-20 Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain J 25–299（275 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 3.10 Å R-free 0.347
8K50 Crystal structure of HLA-A*11:01 in complex with KRAS G12V peptide (VVVGARGVGK) Deposited 2023-07-20 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–299（275 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 2.80 Å R-free 0.281
8K50 Crystal structure of HLA-A*11:01 in complex with KRAS G12V peptide (VVVGARGVGK) Deposited 2023-07-20 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 25–299（275 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 2.80 Å R-free 0.281
8K50 Crystal structure of HLA-A*11:01 in complex with KRAS G12V peptide (VVVGARGVGK) Deposited 2023-07-20 Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain G 25–299（275 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 2.80 Å R-free 0.281
8K50 Crystal structure of HLA-A*11:01 in complex with KRAS G12V peptide (VVVGARGVGK) Deposited 2023-07-20 Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain J 25–299（275 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 2.80 Å R-free 0.281
8RNI HLA-A*03:01 with KRAS-G12V-10mer Deposited 2024-01-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–301（277 aa）
Not recorded GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1M ammonium citrate tribasic pH7, 12% PEG 3350
Resolution 2.49 Å R-free 0.276
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain C 25–302（278 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain H 25–302（278 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain M 25–302（278 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 25–302（278 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain W 25–302（278 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain b 25–302（278 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 7 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain g 25–302（278 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 8 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain l 25–302（278 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RYM Structure of S2 TCR in complex with HLA-A*03:01 bound to ELFSYLIEK peptide Deposited 2024-02-09 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 25–299（275 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；50 mM HEPES pH 7.0, 13 % w/v PEG 8000
Resolution 2.34 Å R-free 0.272
8RYO Structure of S2-198 TCR in complex with HLA-A*03:01 bound to ELFSYLIEK peptide Deposited 2024-02-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 25–299（275 aa）
Not recorded TOE 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL × 1 EDO 1,2-ETHANEDIOL × 2 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；50 mM MOPS pH 6.7, 14 % w/v PEG 8000
Resolution 2.05 Å R-free 0.244
8RYP Structure of S8 TCR in complex with HLA-A*03:01 bound to ELFSYLIEK peptide Deposited 2024-02-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 25–299（275 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；50 mM Magnesium acetate, 20 mM MOPS pH 7.2, 50 mM Sodium chloride, 12 % w/v PEG 8000
Resolution 1.81 Å R-free 0.241
8UDR Structure of the P1B7 antibody bound to the Sotorasib-modified KRas G12C peptide presented by the A*03:01 MHC I complex Deposited 2023-09-28 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 25–299（275 aa）
Not recorded MOV AMG 510 (bound form) × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；20mM HEPES ph 7.5, 100 mM KCl
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.10 Å
8VCL Crystal structure of HLA-A*03:01 in complex with a mutant PIK3CA peptide Deposited 2023-12-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–298（274 aa）
Not recorded FMT FORMIC ACID × 4 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277.15 K；12% w/v Polyethylene glycol 3,350, 4% v/v TacsimateTM, pH 6.0
Resolution 2.40 Å R-free 0.230
8VJZ HLA-A*03:01 with WT KRAS-10mer Deposited 2024-01-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–301（277 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.1M ammonium citrate tribasic pH7, 12% PEG 3350
Resolution 1.90 Å R-free 0.214
8VR9 Structure of a synthetic antibody in complex with a class I MHC presenting a hapten-peptide conjugate Deposited 2024-01-20 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 25–299（275 aa） Fragment：extracellular domain
Not recorded MOV AMG 510 (bound form) × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.06 Å
8VRA Structure of a synthetic antibody in complex with a class I MHC presenting a hapten-peptide conjugate Deposited 2024-01-20 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 25–299（275 aa）
Not recorded MOV AMG 510 (bound form) × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.12 Å
9ASF Crystal structure of HLA-A*03:01 in complex with a wild-type PIK3CA peptide analogue (Trp-6 Bta) Deposited 2024-02-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–298（274 aa） Fragment：extracellular domain
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；15% w/v Polyethylene glycol 6,000, 50 mM Potassium chloride; 10 mM Magnesium chloride
Resolution 1.77 Å R-free 0.237
9ASG Crystal structure of HLA-A*03:01 in complex with a mutant PIK3CA peptide analogue (Trp-6 Bta) Deposited 2024-02-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–298（274 aa） Fragment：extracellular domain
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；15% w/v Polyethylene glycol 3,350, 150mM Cesium chloride
Resolution 2.03 Å R-free 0.238
9CX0 Crystal structure of HLA-A*03:01 E152V mutant in complex with a mutant PIK3CA peptide Deposited 2024-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–298（274 aa）
Mutation：E152V GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277.15 K；12% w/v polyethylene glycol 3,350, 100 mM sodium malonate
Resolution 1.92 Å R-free 0.242
9CX1 Crystal structure of HLA-A*03:01 L156Q mutant in complex with a mutant PIK3CA peptide Deposited 2024-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–298（274 aa）
Mutation：L156Q GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277.15 K；20% w/v polyethylene glycol 3,350, 200 mM sodium malonate
Resolution 2.00 Å R-free 0.221
9CX2 Crystal structure of HLA-A*03:01 L156Q mutant in complex with a mutant PIK3CA peptide Deposited 2024-07-30 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–298（274 aa）
Mutation：L156Q No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277.15 K；10% w/v polyethylene glycol 20,000, 100 mM MES
Resolution 2.30 Å R-free 0.219
9NFC Structure of the cross-HLA supertype antibody R302 bound to a class I MHC presenting a divarasib-modified KRAS-G12C peptide on HLA-A*03 Deposited 2025-02-21 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 25–299（275 aa）
Not recorded A1AWR 1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}propan-1-one × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE；blot time 4 s blot force 5
Resolution 2.58 Å
9NW6 CA147v24 Fab bound to HLA-E-VL9 Deposited 2025-03-21 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain P 3–11（9 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M potassium iodide, 0.1 M MES pH 6.5, 25% PEG 4000
Resolution 3.10 Å R-free 0.258
9NW6 CA147v24 Fab bound to HLA-E-VL9 Deposited 2025-03-21 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain F 3–11（9 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M potassium iodide, 0.1 M MES pH 6.5, 25% PEG 4000
Resolution 3.10 Å R-free 0.258
9NW7 CA117v2v8 Fab bound to HLA-E-VL9 Deposited 2025-03-21 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain P 3–11（9 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M ammonium acetate, 0.1 M HEPES pH 7.5, 25% PEG 3350
Resolution 2.10 Å R-free 0.233
9UV8 Crystal structure of HLA-A*11:01 in complex with KRAS G12D 9-mer peptide (VVGADGVGK) Deposited 2025-05-09 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–299（275 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；27% PEG3350,0.1M Bis-Tris,0.2M Lithium sulfate,additve 0.1M Spermidine
Resolution 1.79 Å R-free 0.231
9WVE Crystal structure of HLA-A*11:01 in complex with KRAS G12A 10-mer peptide (VVVGAAGVGK) Deposited 2025-09-19 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–299（275 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；23% PEG3350, 0.1M Bis-Tris, PH5.8, 0.2M Lithium sulfate
Resolution 2.80 Å R-free 0.267
9WVE Crystal structure of HLA-A*11:01 in complex with KRAS G12A 10-mer peptide (VVVGAAGVGK) Deposited 2025-09-19 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 25–299（275 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；23% PEG3350, 0.1M Bis-Tris, PH5.8, 0.2M Lithium sulfate
Resolution 2.80 Å R-free 0.267
9WVE Crystal structure of HLA-A*11:01 in complex with KRAS G12A 10-mer peptide (VVVGAAGVGK) Deposited 2025-09-19 Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain G 25–299（275 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；23% PEG3350, 0.1M Bis-Tris, PH5.8, 0.2M Lithium sulfate
Resolution 2.80 Å R-free 0.267
9WVE Crystal structure of HLA-A*11:01 in complex with KRAS G12A 10-mer peptide (VVVGAAGVGK) Deposited 2025-09-19 Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain J 25–299（275 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；23% PEG3350, 0.1M Bis-Tris, PH5.8, 0.2M Lithium sulfate
Resolution 2.80 Å R-free 0.267
9WVF Crystal structure of HLA-A*11:01 in complex with KRAS G12S 10-mer peptide (VVVGASGVGK) Deposited 2025-09-19 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–299（275 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；29% PEG3350,0.1M Bis-Tris,PH5.2,0.2M Lithium sulfate
Resolution 2.80 Å R-free 0.291
9WVF Crystal structure of HLA-A*11:01 in complex with KRAS G12S 10-mer peptide (VVVGASGVGK) Deposited 2025-09-19 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 25–299（275 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；29% PEG3350,0.1M Bis-Tris,PH5.2,0.2M Lithium sulfate
Resolution 2.80 Å R-free 0.291
9WVF Crystal structure of HLA-A*11:01 in complex with KRAS G12S 10-mer peptide (VVVGASGVGK) Deposited 2025-09-19 Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain G 25–299（275 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；29% PEG3350,0.1M Bis-Tris,PH5.2,0.2M Lithium sulfate
Resolution 2.80 Å R-free 0.291
9WVF Crystal structure of HLA-A*11:01 in complex with KRAS G12S 10-mer peptide (VVVGASGVGK) Deposited 2025-09-19 Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain J 25–299（275 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；29% PEG3350,0.1M Bis-Tris,PH5.2,0.2M Lithium sulfate
Resolution 2.80 Å R-free 0.291

53 other PDB entries and 77 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name HLAA_HUMAN
Isoform P04439-2
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 2–276； UniProt 25–299 Author chain D； PDBConstruct 2–276； UniProt 25–299

Beta-2-microglobulin

Homo sapiens

UniProt P61769

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain B； UniProt 21–119 Not recorded HLA class I histocompatibility antigen, A alpha chain × 1 （P04439） KRAS G12C peptide (VVVGACGVGK) × 1 （P01116） X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；293.15 K；Ammonium sulfate,Sodium cacodylate pH 6.0, PEG 4000 Resolution 2.30 Å R-free 0.316
2 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain E； UniProt 21–119 Not recorded HLA class I histocompatibility antigen, A alpha chain × 1 （P04439） KRAS G12C peptide (VVVGACGVGK) × 1 （P01116） X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；293.15 K；Ammonium sulfate,Sodium cacodylate pH 6.0, PEG 4000 Resolution 2.30 Å R-free 0.316

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 8K4T Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1A1M MHC CLASS I MOLECULE B*5301 COMPLEXED WITH PEPTIDE TPYDINQML FROM GAG PROTEIN OF HIV2 Deposited 1997-12-11 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；18% PEG8000 0.1M SODIUM CACODYLATE PH6.5 0.2M CALCIUM ACETATE
Resolution 2.30 Å
1A1N MHC CLASS I MOLECULE B*3501 COMPLEXED WITH PEPTIDE VPLRPMTY FROM THE NEF PROTEIN (75-82) OF HIV1 Deposited 1997-12-11 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；18% PEG8000 0.1M SODIUM CACODYLATE PH6.5 0.2M CALCIUM ACETATE
Resolution 2.00 Å
1A1O MHC CLASS I MOLECULE B*5301 COMPLEXED WITH PEPTIDE LS6 (KPIVQYDNF) FROM THE MALARIA PARASITE P. FALCIPARUM Deposited 1997-12-11 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；18% PEG8000 0.1M SODIUM CACODYLATE PH6.5 0.2M CALCIUM ACETATE
Resolution 2.30 Å
1A6Z HFE (HUMAN) HEMOCHROMATOSIS PROTEIN Deposited 1998-03-04 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.60 Å R-free 0.277
1A6Z HFE (HUMAN) HEMOCHROMATOSIS PROTEIN Deposited 1998-03-04 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.60 Å R-free 0.277
1A9B DECAMER-LIKE CONFORMATION OF A NANO-PEPTIDE BOUND TO HLA-B3501 DUE TO NONSTANDARD POSITIONING OF THE C-TERMINUS Deposited 1998-04-03 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；20% MPD, 20% PEG 6000, 1% GLYCEROL, 100 MM SODIUM CITRATE, PH 5.6
Resolution 3.20 Å R-free 0.305
1A9B DECAMER-LIKE CONFORMATION OF A NANO-PEPTIDE BOUND TO HLA-B3501 DUE TO NONSTANDARD POSITIONING OF THE C-TERMINUS Deposited 1998-04-03 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；20% MPD, 20% PEG 6000, 1% GLYCEROL, 100 MM SODIUM CITRATE, PH 5.6
Resolution 3.20 Å R-free 0.305
1A9E DECAMER-LIKE CONFORMATION OF A NANO-PEPTIDE BOUND TO HLA-B3501 DUE TO NONSTANDARD POSITIONING OF THE C-TERMINUS Deposited 1998-04-05 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.9；4 M SODIUM FORMATE, PH 7.9
Resolution 2.50 Å R-free 0.260
1AGB ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGRKKYKL-3R MUTATION) Deposited 1997-03-24 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：EXTRACELLULAR
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；30% PEG 4000 0.1M SODIUM CITRATE, PH 6.5 0.2M AMMONIUM ACETATE
Resolution 2.20 Å
1AGC ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKKYQL-7Q MUTATION) Deposited 1997-03-24 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：EXTRACELLULAR
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；30% PEG 4000 0.1M SODIUM CITRATE, PH 6.5 0.03M AMMONIUM ACETATE
Resolution 2.10 Å
1AGD ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKKYKL-INDEX PEPTIDE) Deposited 1997-03-24 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：EXTRACELLULAR
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；30% PEG 4000 0.1M SODIUM CITRATE, PH 6.5 0.2M AMMONIUM ACETATE
Resolution 2.05 Å
1AGE ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKKYRL-7R MUTATION) Deposited 1997-03-24 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：EXTRACELLULAR
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；30% PEG 4000 0.1M SODIUM CITRATE, PH 6.5 0.03M AMMONIUM ACETATE
Resolution 2.30 Å
1AGF ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKRYKL-5R MUTATION) Deposited 1997-03-24 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：EXTRACELLULAR
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；30% PEG 4000 0.1M SODIUM CITRATE, PH 6.5 0.03M AMMONIUM ACETATE
Resolution 2.20 Å
1AKJ COMPLEX OF THE HUMAN MHC CLASS I GLYCOPROTEIN HLA-A2 AND THE T CELL CORECEPTOR CD8 Deposited 1997-05-21 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：EXTRACELLULAR DOMAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；PROTEIN WAS CRYSTALLIZED FROM 12% PEG 20000, 100 MM MES, PH 6.5
Resolution 2.65 Å R-free 0.276
1AO7 COMPLEX BETWEEN HUMAN T-CELL RECEPTOR, VIRAL PEPTIDE (TAX), AND HLA-A 0201 Deposited 1997-07-21 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Mutation：Y67C, K91C EMC ETHYL MERCURY ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；CRYSTALLIZED FROM 10% PEG 8000, 100 MM MGACETATE, 50 MM NACACODYLATE, PH 6.5
Resolution 2.60 Å R-free 0.320
1AO7 COMPLEX BETWEEN HUMAN T-CELL RECEPTOR, VIRAL PEPTIDE (TAX), AND HLA-A 0201 Deposited 1997-07-21 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 10 PDB declaration: decameric
Chain B 21–119（99 aa）
Mutation：Y67C, K91C EMC ETHYL MERCURY ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；CRYSTALLIZED FROM 10% PEG 8000, 100 MM MGACETATE, 50 MM NACACODYLATE, PH 6.5
Resolution 2.60 Å R-free 0.320
1B0G CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A2.1)/BETA 2-MICROGLOBULIN/PEPTIDE P1049 COMPLEX Deposited 1998-11-09 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 11–110（100 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；PROTEIN WAS CRYSTALLIZED IN THE HANGING DROP VAPOR DIFFUSION METHOD. THE RESERVOIR SOLUTION CONTAINED 12-16% PEG6000, 6% DIOXANE IN 25MM MES BUFFER, PH6.5. THE HANGING DROP WAS A 1:1 MIXTURE OF THE RESERVOIR SOLUTION AND THE PROTEIN SOLUTION WHICH CONTAINED 10MG/ML PROTEIN IN 25MM MES BUFFER, PH6.5., vapor diffusion - hanging drop
Resolution 2.50 Å R-free 0.304
1B0G CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A2.1)/BETA 2-MICROGLOBULIN/PEPTIDE P1049 COMPLEX Deposited 1998-11-09 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 11–110（100 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；PROTEIN WAS CRYSTALLIZED IN THE HANGING DROP VAPOR DIFFUSION METHOD. THE RESERVOIR SOLUTION CONTAINED 12-16% PEG6000, 6% DIOXANE IN 25MM MES BUFFER, PH6.5. THE HANGING DROP WAS A 1:1 MIXTURE OF THE RESERVOIR SOLUTION AND THE PROTEIN SOLUTION WHICH CONTAINED 10MG/ML PROTEIN IN 25MM MES BUFFER, PH6.5., vapor diffusion - hanging drop
Resolution 2.50 Å R-free 0.304
1B0R CRYSTAL STRUCTURE OF HLA-A*0201 COMPLEXED WITH A PEPTIDE WITH THE CARBOXYL-TERMINAL GROUP SUBSTITUTED BY A METHYL GROUP Deposited 1998-11-12 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：BETA 2 MICROGLOBULIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.50
Resolution 2.90 Å R-free 0.314
1BD2 COMPLEX BETWEEN HUMAN T-CELL RECEPTOR B7, VIRAL PEPTIDE (TAX) AND MHC CLASS I MOLECULE HLA-A 0201 Deposited 1998-05-12 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.1；12% PEG8000, 20MM MOPS, 100MM MAGNESIUM ACETATE,PH7.1
Resolution 2.50 Å R-free 0.312
1C16 CRYSTAL STRUCTURE ANALYSIS OF THE GAMMA/DELTA T CELL LIGAND T22 Deposited 1999-07-20 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.10 Å R-free 0.334
1C16 CRYSTAL STRUCTURE ANALYSIS OF THE GAMMA/DELTA T CELL LIGAND T22 Deposited 1999-07-20 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.10 Å R-free 0.334
1C16 CRYSTAL STRUCTURE ANALYSIS OF THE GAMMA/DELTA T CELL LIGAND T22 Deposited 1999-07-20 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.10 Å R-free 0.334
1C16 CRYSTAL STRUCTURE ANALYSIS OF THE GAMMA/DELTA T CELL LIGAND T22 Deposited 1999-07-20 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.10 Å R-free 0.334
1C16 CRYSTAL STRUCTURE ANALYSIS OF THE GAMMA/DELTA T CELL LIGAND T22 Deposited 1999-07-20 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain B 21–119（99 aa）
Chain D 21–119（99 aa）
Chain F 21–119（99 aa）
Chain H 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.10 Å R-free 0.334
1CE6 MHC CLASS I H-2DB COMPLEXED WITH A SENDAI VIRUS NUCLEOPROTEIN PEPTIDE Deposited 1999-03-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5；pH 5.0
Resolution 2.90 Å R-free 0.274
1CG9 COMPLEX RECOGNITION OF THE SUPERTYPIC BW6-DETERMINANT ON HLA-B AND-C MOLECULES BY THE MONOCLONAL ANTIBODY SFR8-B6 Deposited 1999-03-25 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 20–119（100 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.9；4 M SODIUM FORMATE, PH 7.9
Resolution 2.70 Å R-free 0.253
1DE4 HEMOCHROMATOSIS PROTEIN HFE COMPLEXED WITH TRANSFERRIN RECEPTOR Deposited 1999-11-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain B 21–119（99 aa）
Chain E 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；PEG 8000, TRIS, TRIMETHYLAMINE HCL, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.80 Å R-free 0.265
1DE4 HEMOCHROMATOSIS PROTEIN HFE COMPLEXED WITH TRANSFERRIN RECEPTOR Deposited 1999-11-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain H 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；PEG 8000, TRIS, TRIMETHYLAMINE HCL, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.80 Å R-free 0.265
1DUY CRYSTAL STRUCTURE OF HLA-A*0201/OCTAMERIC TAX PEPTIDE COMPLEX Deposited 2000-01-19 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；13-20% polyethylene glycol 6000, 25 mM MES buffer, pH 6.5, VAPOR DIFFUSION, temperature 298K
Resolution 2.15 Å R-free 0.254
1DUY CRYSTAL STRUCTURE OF HLA-A*0201/OCTAMERIC TAX PEPTIDE COMPLEX Deposited 2000-01-19 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；13-20% polyethylene glycol 6000, 25 mM MES buffer, pH 6.5, VAPOR DIFFUSION, temperature 298K
Resolution 2.15 Å R-free 0.254
1DUZ HUMAN CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A 0201) IN COMPLEX WITH A NONAMERIC PEPTIDE FROM HTLV-1 TAX PROTEIN Deposited 2000-01-19 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；13-20% polyethylene glycol 6000, 25 mM MES buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.80 Å R-free 0.250
1DUZ HUMAN CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A 0201) IN COMPLEX WITH A NONAMERIC PEPTIDE FROM HTLV-1 TAX PROTEIN Deposited 2000-01-19 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；13-20% polyethylene glycol 6000, 25 mM MES buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.80 Å R-free 0.250
1EFX STRUCTURE OF A COMPLEX BETWEEN THE HUMAN NATURAL KILLER CELL RECEPTOR KIR2DL2 AND A CLASS I MHC LIGAND HLA-CW3 Deposited 2000-02-10 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG 20000, calcium chloride, sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.00 Å R-free 0.294
1EXU CRYSTAL STRUCTURE OF THE HUMAN MHC-RELATED FC RECEPTOR Deposited 2000-05-04 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded BME BETA-MERCAPTOETHANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；295 K；ammonium sulfate, glycerol, tris, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
Resolution 2.70 Å R-free 0.247
1HHG THE ANTIGENIC IDENTITY OF PEPTIDE(SLASH)MHC COMPLEXES: A COMPARISON OF THE CONFORMATION OF FIVE PEPTIDES PRESENTED BY HLA-A2 Deposited 1993-06-30 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.60 Å
1HHG THE ANTIGENIC IDENTITY OF PEPTIDE(SLASH)MHC COMPLEXES: A COMPARISON OF THE CONFORMATION OF FIVE PEPTIDES PRESENTED BY HLA-A2 Deposited 1993-06-30 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.60 Å
1HHH THE ANTIGENIC IDENTITY OF PEPTIDE(SLASH)MHC COMPLEXES: A COMPARISON OF THE CONFORMATION OF FIVE PEPTIDES PRESENTED BY HLA-A2 Deposited 1993-06-30 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.00 Å
1HHI THE ANTIGENIC IDENTITY OF PEPTIDE(SLASH)MHC COMPLEXES: A COMPARISON OF THE CONFORMATION OF FIVE PEPTIDES PRESENTED BY HLA-A2 Deposited 1993-06-30 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å
1HHI THE ANTIGENIC IDENTITY OF PEPTIDE(SLASH)MHC COMPLEXES: A COMPARISON OF THE CONFORMATION OF FIVE PEPTIDES PRESENTED BY HLA-A2 Deposited 1993-06-30 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å
1HHJ THE ANTIGENIC IDENTITY OF PEPTIDE(SLASH)MHC COMPLEXES: A COMPARISON OF THE CONFORMATION OF FIVE PEPTIDES PRESENTED BY HLA-A2 Deposited 1993-06-30 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å
1HHJ THE ANTIGENIC IDENTITY OF PEPTIDE(SLASH)MHC COMPLEXES: A COMPARISON OF THE CONFORMATION OF FIVE PEPTIDES PRESENTED BY HLA-A2 Deposited 1993-06-30 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å
1HHK THE ANTIGENIC IDENTITY OF PEPTIDE(SLASH)MHC COMPLEXES: A COMPARISON OF THE CONFORMATION OF FIVE PEPTIDES PRESENTED BY HLA-A2 Deposited 1993-06-30 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å
1HHK THE ANTIGENIC IDENTITY OF PEPTIDE(SLASH)MHC COMPLEXES: A COMPARISON OF THE CONFORMATION OF FIVE PEPTIDES PRESENTED BY HLA-A2 Deposited 1993-06-30 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å
1HLA STRUCTURE OF THE HUMAN CLASS I HISTOCOMPATIBILITY ANTIGEN, HLA-A2 Deposited 1987-10-15 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain M 21–117（97 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.50 Å
1HSA THE THREE-DIMENSIONAL STRUCTURE OF HLA-B27 AT 2.1 ANGSTROMS RESOLUTION SUGGESTS A GENERAL MECHANISM FOR TIGHT PEPTIDE BINDING TO MHC Deposited 1992-08-11 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions THE FRAGMENT CRYSTALLIZED WAS THE EXTRACELLULAR PORTION OF THE PROTEIN CLEAVED FROM DETERGENT MICELLES WITH PAPAIN
Resolution 2.10 Å
1HSA THE THREE-DIMENSIONAL STRUCTURE OF HLA-B27 AT 2.1 ANGSTROMS RESOLUTION SUGGESTS A GENERAL MECHANISM FOR TIGHT PEPTIDE BINDING TO MHC Deposited 1992-08-11 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions THE FRAGMENT CRYSTALLIZED WAS THE EXTRACELLULAR PORTION OF THE PROTEIN CLEAVED FROM DETERGENT MICELLES WITH PAPAIN
Resolution 2.10 Å
1HSB DIFFERENT LENGTH PEPTIDES BIND TO HLA-AW68 SIMILARLY AT THEIR ENDS BUT BULGE OUT IN THE MIDDLE Deposited 1993-03-30 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ALA ALANINE × 1 ARG ARGININE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å
1I1F Crystal structure of human class i mhc (hla-a2.1) complexed with beta 2-microglobulin and hiv-rt variant peptide i1y Deposited 1999-04-16 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 12–110（99 aa） Fragment：BETA 2-MICROGLOBULIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；PROTEIN WAS CRYSTALLIZED IN THE HANGING DROP VAPOR DIFFUSION METHOD. THE RESERVOIR SOLUTION CONTAINED 16% PEG8000 IN 25MM MES BUFFER, PH6.5. THE HANGING DROP WAS A 1:1 MIXTURE OF THE RESERVOIR SOLUTION AND THE PROTEIN SOLUTION WHICH CONTAINED 10MG/ML PROTEIN IN 25MM MES BUFFER, PH6.5.
Resolution 2.80 Å R-free 0.315
1I1F Crystal structure of human class i mhc (hla-a2.1) complexed with beta 2-microglobulin and hiv-rt variant peptide i1y Deposited 1999-04-16 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 12–110（99 aa） Fragment：BETA 2-MICROGLOBULIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；PROTEIN WAS CRYSTALLIZED IN THE HANGING DROP VAPOR DIFFUSION METHOD. THE RESERVOIR SOLUTION CONTAINED 16% PEG8000 IN 25MM MES BUFFER, PH6.5. THE HANGING DROP WAS A 1:1 MIXTURE OF THE RESERVOIR SOLUTION AND THE PROTEIN SOLUTION WHICH CONTAINED 10MG/ML PROTEIN IN 25MM MES BUFFER, PH6.5.
Resolution 2.80 Å R-free 0.315
1I1Y CRYSTAL STRUCTURE OF HUMAN CLASS I MHC (HLA-A2.1) COMPLEXED WITH BETA 2-MICROGLOBULIN AND HIV-RT VARIANT PEPTIDE I1Y Deposited 1999-04-16 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 12–110（99 aa） Fragment：BETA 2-MICROGLOBULIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；PROTEIN WAS CRYSTALLIZED IN THE HANGING DROP VAPOR DIFFUSION METHOD. THE RESERVOIR SOLUTION CONTAINED 18% PEG8000, IN 25MM MES BUFFER, PH6.5. THE HANGING DROP WAS A 1:1 MIXTURE OF THE RESERVOIR SOLUTION AND THE PROTEIN SOLUTION WHICH CONTAINED 10MG/ML PROTEIN IN 25MM MES BUFFER, PH6.5., pH 6.50, VAPOR DIFFUSION, HANGING DROP
Resolution 2.20 Å R-free 0.289
1I1Y CRYSTAL STRUCTURE OF HUMAN CLASS I MHC (HLA-A2.1) COMPLEXED WITH BETA 2-MICROGLOBULIN AND HIV-RT VARIANT PEPTIDE I1Y Deposited 1999-04-16 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 12–110（99 aa） Fragment：BETA 2-MICROGLOBULIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；PROTEIN WAS CRYSTALLIZED IN THE HANGING DROP VAPOR DIFFUSION METHOD. THE RESERVOIR SOLUTION CONTAINED 18% PEG8000, IN 25MM MES BUFFER, PH6.5. THE HANGING DROP WAS A 1:1 MIXTURE OF THE RESERVOIR SOLUTION AND THE PROTEIN SOLUTION WHICH CONTAINED 10MG/ML PROTEIN IN 25MM MES BUFFER, PH6.5., pH 6.50, VAPOR DIFFUSION, HANGING DROP
Resolution 2.20 Å R-free 0.289
1I4F CRYSTAL STRUCTURE OF HLA-A*0201/MAGE-A4-PEPTIDE COMPLEX Deposited 2001-02-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded 1PG 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；PEG 8000, Tris-HCl, NaCl. PEG 400 as cryo protectant., pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.40 Å R-free 0.173
1IM3 Crystal Structure of the human cytomegalovirus protein US2 bound to the MHC class I molecule HLA-A2/tax Deposited 2001-05-09 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：recombinant residues 1-99
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；PEG 6000, MPD, Tris, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.20 Å R-free 0.240
1IM3 Crystal Structure of the human cytomegalovirus protein US2 bound to the MHC class I molecule HLA-A2/tax Deposited 2001-05-09 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa） Fragment：recombinant residues 1-99
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；PEG 6000, MPD, Tris, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.20 Å R-free 0.240
1IM3 Crystal Structure of the human cytomegalovirus protein US2 bound to the MHC class I molecule HLA-A2/tax Deposited 2001-05-09 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain J 21–119（99 aa） Fragment：recombinant residues 1-99
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；PEG 6000, MPD, Tris, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.20 Å R-free 0.240
1IM3 Crystal Structure of the human cytomegalovirus protein US2 bound to the MHC class I molecule HLA-A2/tax Deposited 2001-05-09 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain N 21–119（99 aa） Fragment：recombinant residues 1-99
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；PEG 6000, MPD, Tris, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.20 Å R-free 0.240
1IM9 Crystal structure of the human natural killer cell inhibitory receptor KIR2DL1 bound to its MHC ligand HLA-Cw4 Deposited 2001-05-10 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 7 PDB declaration: heptameric
Chain B 21–119（99 aa）
Chain F 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；PEG6000, magnesium chloride, ethylene glycol, N-(2-acetamindo)iminodiacetic acid , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.80 Å R-free 0.256
1JF1 Crystal structure of HLA-A2*0201 in complex with a decameric altered peptide ligand from the MART-1/Melan-A Deposited 2001-06-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：BETA-CHAIN OF MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I MOLECULES
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；16% PEG, 25 mM MES and 0.10% NaN3, pH 6.5, VAPOR DIFFUSION, HANGING DROP, at 293K
Resolution 1.85 Å R-free 0.225
1JGD HLA-B*2709 bound to deca-peptide s10R Deposited 2001-06-25 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；PEG 8000, Tris-HCl, NaCl; glycerol as cryo protectant, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.90 Å R-free 0.194
1JGE HLA-B*2705 bound to nona-peptide m9 Deposited 2001-06-25 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；PEG 8000, Tris-HCl, NaCl; PEG 400 as cryo protectant, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.10 Å R-free 0.250
1JHT Crystal structure of HLA-A2*0201 in complex with a nonameric altered peptide ligand (ALGIGILTV) from the MART-1/Melan-A. Deposited 2001-06-28 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：BETA-CHAIN OF MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I MOLECULES
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；16% PEG, 25 mM MES, 0.10% NaN3, pH 6.5, VAPOR DIFFUSION, HANGING DROP, at 293K
Resolution 2.15 Å R-free 0.252
1JNJ NMR solution structure of the human beta2-microglobulin Deposited 2001-07-24 Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.4；310 K；Ionic strength (raw mmCIF value) 100 mM NaCl, 70 mM phosphate buffer；Pressure ambient
NMR measurement conditions pH 6.4；310 K；Ionic strength (raw mmCIF value) 100 mM NaCl, 70 mM phosphate buffer；Pressure ambient
NMR sample composition 0.68 mM beta2-m; 70 mM phosphate buffer NA, 100 mM NaCl. | 90% H2O/10% D2O
NMR sample composition 0.37 mM beta2-m; 70 mM phosphate buffer NA, 100 mM NaCl. | 100% D2O
Resolution not provided
1K5N HLA-B*2709 BOUND TO NONA-PEPTIDE M9 Deposited 2001-10-11 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；291 K；PEG 8000, Bicine, NaCl, glycerol as cryo protectant, pH 9.00, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.09 Å R-free 0.148
1KPR The human non-classical major histocompatibility complex molecule HLA-E Deposited 2002-01-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；ammonium sulfate, PEG 400, Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP at 295K
Resolution 2.80 Å R-free 0.289
1KPR The human non-classical major histocompatibility complex molecule HLA-E Deposited 2002-01-02 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；ammonium sulfate, PEG 400, Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP at 295K
Resolution 2.80 Å R-free 0.289
1KPR The human non-classical major histocompatibility complex molecule HLA-E Deposited 2002-01-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain B 21–119（99 aa）
Chain D 21–119（99 aa）
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；ammonium sulfate, PEG 400, Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP at 295K
Resolution 2.80 Å R-free 0.289
1KPR The human non-classical major histocompatibility complex molecule HLA-E Deposited 2002-01-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain B 21–119（99 aa）
Chain D 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；ammonium sulfate, PEG 400, Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP at 295K
Resolution 2.80 Å R-free 0.289
1LDS Crystal Structure of monomeric human beta-2-microglobulin Deposited 2002-04-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Not recorded NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.7；289 K；4-8% (w/v) PEG4000, 20% Isopropanol, 100mM sodium citrate, pH 5.7, VAPOR DIFFUSION, SITTING DROP, temperature 289K
Resolution 1.80 Å R-free 0.233
1LP9 Xenoreactive complex AHIII 12.2 TCR bound to p1049/HLA-A2.1 Deposited 2002-05-07 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG3350, 25mM MES , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.253
1LP9 Xenoreactive complex AHIII 12.2 TCR bound to p1049/HLA-A2.1 Deposited 2002-05-07 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain I 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG3350, 25mM MES , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.253
1M05 HLA B8 in complex with an Epstein Barr Virus determinant Deposited 2002-06-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：residues 21-119
Not recorded CD CADMIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
Resolution 1.90 Å R-free 0.283
1M05 HLA B8 in complex with an Epstein Barr Virus determinant Deposited 2002-06-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa） Fragment：residues 21-119
Not recorded CD CADMIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
Resolution 1.90 Å R-free 0.283
1MHE THE HUMAN NON-CLASSICAL MAJOR HISTOCOMPATIBILITY COMPLEX MOLECULE HLA-E Deposited 1998-08-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain B 21–119（99 aa）
Chain D 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.5
Resolution 2.85 Å R-free 0.235
1MI5 The crystal structure of LC13 TcR in complex with HLAB8-EBV peptide complex Deposited 2002-08-21 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；PEG, ammonium acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.50 Å R-free 0.288
1N2R A natural selected dimorphism in HLA B*44 alters self, peptide reportoire and T cell recognition. Deposited 2002-10-24 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACY ACETIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.2；298 K；30% PEG 4K, 0.1M citrate, 0.2M ammonium acetate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.261
1P7Q Crystal Structure of HLA-A2 Bound to LIR-1, a Host and Viral MHC Receptor Deposited 2003-05-05 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；PEG 4000, Sodium Acetate, Tris, L-Cysteine, Triton X-100, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.40 Å R-free 0.309
1PY4 Beta2 microglobulin mutant H31Y displays hints for amyloid formations Deposited 2003-07-08 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa） Fragment：H31Y
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；300 K；PEG 4K 31%, glycerol 25%, ammonium acetate 0.2 M, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Resolution 2.90 Å R-free 0.313
1PY4 Beta2 microglobulin mutant H31Y displays hints for amyloid formations Deposited 2003-07-08 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 21–119（99 aa） Fragment：H31Y
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；300 K；PEG 4K 31%, glycerol 25%, ammonium acetate 0.2 M, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Resolution 2.90 Å R-free 0.313
1PY4 Beta2 microglobulin mutant H31Y displays hints for amyloid formations Deposited 2003-07-08 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 21–119（99 aa） Fragment：H31Y
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；300 K；PEG 4K 31%, glycerol 25%, ammonium acetate 0.2 M, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Resolution 2.90 Å R-free 0.313
1PY4 Beta2 microglobulin mutant H31Y displays hints for amyloid formations Deposited 2003-07-08 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 21–119（99 aa） Fragment：H31Y
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；300 K；PEG 4K 31%, glycerol 25%, ammonium acetate 0.2 M, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Resolution 2.90 Å R-free 0.313
1Q94 Structures of HLA-A*1101 in complex with immunodominant nonamer and decamer HIV-1 epitopes clearly reveal the presence of a middle anchor residue Deposited 2003-08-22 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；PEG 4000,sodium acetate,sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 100K
Resolution 2.40 Å R-free 0.272
1Q94 Structures of HLA-A*1101 in complex with immunodominant nonamer and decamer HIV-1 epitopes clearly reveal the presence of a middle anchor residue Deposited 2003-08-22 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；PEG 4000,sodium acetate,sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 100K
Resolution 2.40 Å R-free 0.272
1QQD CRYSTAL STRUCTURE OF HLA-CW4, A LIGAND FOR THE KIR2D NATURAL KILLER CELL INHIBITORY RECEPTOR Deposited 1999-06-03 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 11–109（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；PEG 8000, calcium acetate, sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K
Resolution 2.70 Å R-free 0.275
1QR1 POOR BINDING OF A HER-2/NEU EPITOPE (GP2) TO HLA-A2.1 IS DUE TO A LACK OF INTERACTIONS IN THE CENTER OF THE PEPTIDE Deposited 1999-06-17 Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Mutation：B2M HAS AN ADDED METHIONINE FOR BACTERIAL EXPRESSION No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；14% PEG 6000, 25 mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 22K
Resolution 2.40 Å R-free 0.284
1QR1 POOR BINDING OF A HER-2/NEU EPITOPE (GP2) TO HLA-A2.1 IS DUE TO A LACK OF INTERACTIONS IN THE CENTER OF THE PEPTIDE Deposited 1999-06-17 Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Mutation：B2M HAS AN ADDED METHIONINE FOR BACTERIAL EXPRESSION No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；14% PEG 6000, 25 mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 22K
Resolution 2.40 Å R-free 0.284
1QRN CRYSTAL STRUCTURE OF HUMAN A6 TCR COMPLEXED WITH HLA-A2 BOUND TO ALTERED HTLV-1 TAX PEPTIDE P6A Deposited 1999-06-14 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；287 K；seeding with hanging drop vapor diffusion; 50 mM MOPS pH 7.0, 75 mM MgSO4, 13% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 287K
Resolution 2.80 Å R-free 0.273
1QSE STRUCTURE OF HUMAN A6-TCR BOUND TO HLA-A2 COMPLEXED WITH ALTERED HTLV-1 TAX PEPTIDE V7R Deposited 1999-06-21 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 11–110（100 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；290 K；seeding with hanging drop vapor diffusion; 50 mM MOPS, pH 7.0, 75 mM MgSO4 and 13% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.80 Å R-free 0.290
1QSF STRUCTURE OF A6-TCR BOUND TO HLA-A2 COMPLEXED WITH ALTERED HTLV-1 TAX PEPTIDE Y8A Deposited 1999-06-21 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 11–110（100 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；290 K；seeding with hanging drop vapor diffusion; 50 mM MOPS, pH 7.0, 75 mM MgSO4 and 13% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.80 Å R-free 0.286
1QVO STRUCTURES OF HLA-A*1101 IN COMPLEX WITH IMMUNODOMINANT NONAMER AND DECAMER HIV-1 EPITOPES CLEARLY REVEAL THE PRESENCE OF A MIDDLE ANCHOR RESIDUE Deposited 2003-08-28 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；PEG 4000, ammonium acetate, sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.22 Å R-free 0.255
1QVO STRUCTURES OF HLA-A*1101 IN COMPLEX WITH IMMUNODOMINANT NONAMER AND DECAMER HIV-1 EPITOPES CLEARLY REVEAL THE PRESENCE OF A MIDDLE ANCHOR RESIDUE Deposited 2003-08-28 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；PEG 4000, ammonium acetate, sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.22 Å R-free 0.255
1R3H Crystal Structure of T10 Deposited 2003-10-02 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.2；293 K；MPEG5000, MGCL2, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.272
1R3H Crystal Structure of T10 Deposited 2003-10-02 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.2；293 K；MPEG5000, MGCL2, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.272
1R3H Crystal Structure of T10 Deposited 2003-10-02 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.2；293 K；MPEG5000, MGCL2, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.272
1R3H Crystal Structure of T10 Deposited 2003-10-02 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.2；293 K；MPEG5000, MGCL2, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.272
1S9W Crystal Structure Analysis of NY-ESO-1 epitope, SLLMWITQC, in complex with HLA-A2 Deposited 2004-02-05 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.0M ammonium sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.267
1S9X Crystal Structure Analysis of NY-ESO-1 epitope analogue, SLLMWITQA, in complex with HLA-A2 Deposited 2004-02-05 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.0M ammonium sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.279
1S9Y Crystal Structure Analysis of NY-ESO-1 epitope analogue, SLLMWITQS, in complex with HLA-A2 Deposited 2004-02-05 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.0M ammonium sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.30 Å R-free 0.273
1SYS Crystal structure of HLA, B*4403, and peptide EEPTVIKKY Deposited 2004-04-01 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.8；295 K；PEG 4000, 0.2M Ammonium Acetate, 0.2M Sodium Citrate, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.40 Å R-free 0.271
1SYV HLA-B*4405 complexed to the dominant self ligand EEFGRAYGF Deposited 2004-04-02 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.8；295 K；PEG 4000, SODIUM CITRATE, AMMONIUM ACETATE, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.70 Å R-free 0.224
1TMC THE THREE-DIMENSIONAL STRUCTURE OF A CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX MOLECULE MISSING THE ALPHA3 DOMAIN OF THE HEAVY CHAIN Deposited 1994-12-19 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å
1TVB Crystal structure of Melanoma Antigen gp100(209-217) Bound to Human Class I MHC HLA-A2 Deposited 2004-06-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：beta-chain
Not recorded GOL GLYCEROL × 9 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG 3350, MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.80 Å R-free 0.216
1TVB Crystal structure of Melanoma Antigen gp100(209-217) Bound to Human Class I MHC HLA-A2 Deposited 2004-06-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：beta-chain
Not recorded GOL GLYCEROL × 13 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG 3350, MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.80 Å R-free 0.216
1TVH Crystal structure of Modified Melanoma Antigen gp100(209-T2M) Bound to Human Class I MHC HLA-A2 Deposited 2004-06-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：beta-chain
Not recorded GOL GLYCEROL × 13 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG 3350, MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.80 Å R-free 0.247
1TVH Crystal structure of Modified Melanoma Antigen gp100(209-T2M) Bound to Human Class I MHC HLA-A2 Deposited 2004-06-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：beta-chain
Not recorded GOL GLYCEROL × 15 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG 3350, MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.80 Å R-free 0.247
1VGK The crystal structure of class I Major histocompatibility complex, H-2Kd at 2.0 A resolution Deposited 2004-04-27 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；PEG 2000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.06 Å R-free 0.240
1W0V Crystal Structure Of HLA-B*2705 Complexed With the self-Peptide TIS from EGF-response factor 1 Deposited 2004-06-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；18% PEG8000, 0.1M TRIS PH 8.0
Resolution 2.27 Å R-free 0.246
1W0W Crystal Structure Of HLA-B*2709 Complexed With the self-Peptide TIS from EGF-response factor 1 Deposited 2004-06-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；20% PEG8000, 0.1M TRIS PH 8.5
Resolution 2.11 Å R-free 0.245
1W72 Crystal structure of HLA-A1:MAGE-A1 in complex with Fab-Hyb3 Deposited 2004-08-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；MES PH 6.5, NACL 600MM, 19% PEG3350, 80MM DIOXANE
Resolution 2.15 Å R-free 0.248
1W72 Crystal structure of HLA-A1:MAGE-A1 in complex with Fab-Hyb3 Deposited 2004-08-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；MES PH 6.5, NACL 600MM, 19% PEG3350, 80MM DIOXANE
Resolution 2.15 Å R-free 0.248
1X7Q Crystal structure of HLA-A*1101 with sars nucleocapsid peptide Deposited 2004-08-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 3 GOL GLYCEROL × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293.15 K；25% PEG 5000 MME, 0.2M AMMONIUM SULFATE, 0.1M MES PH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
Resolution 1.45 Å R-free 0.181
1XH3 Conformational Restraints and Flexibility of 14-Meric Peptides in Complex with HLA-B*3501 Deposited 2004-09-17 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；PEG4000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.48 Å R-free 0.208
1XR8 Crystal Structures of HLA-B*1501 in Complex with Peptides from Human UbcH6 and Epstein-Barr Virus EBNA-3 Deposited 2004-10-14 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded PG4 TETRAETHYLENE GLYCOL × 1 URE UREA × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.2M MgAc4H20, 0.1M Na-cacodylate, pH 6.5, 20% w/v PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.30 Å R-free 0.245
1XR9 Crystal Structures of HLA-B*1501 in Complex with Peptides from Human UbcH6 and Epstein-Barr Virus EBNA-3 Deposited 2004-10-14 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 2 URE UREA × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.2M NH4Ac, 0.1M tri-Sodium Citrate dihydrate, pH 5.6, 30% w/v PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.79 Å R-free 0.232
1XZ0 Crystal structure of CD1a in complex with a synthetic mycobactin lipopeptide Deposited 2004-11-11 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded JH0 6-(HYDROXY-HEXADECANOYL-AMINO)-2-{[(4S)-2-(2-HYDROXY-PHENYL)-4,5-DIHYDRO-OXAZOLE-4-CARBONYL]-AMINO}-HEXANOIC ACID 2-[(3S)-1-(TERT-BUTYL-DIPHENYL-SILANYLOXY)-2-OXO-AZEPAN-3-YLCARBAMOYL]-(1S)-1-METHYL-ETHYL ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；295 K；PEG 2000 MME, Tris, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.80 Å R-free 0.277
1XZ0 Crystal structure of CD1a in complex with a synthetic mycobactin lipopeptide Deposited 2004-11-11 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 21–119（99 aa）
Not recorded JH0 6-(HYDROXY-HEXADECANOYL-AMINO)-2-{[(4S)-2-(2-HYDROXY-PHENYL)-4,5-DIHYDRO-OXAZOLE-4-CARBONYL]-AMINO}-HEXANOIC ACID 2-[(3S)-1-(TERT-BUTYL-DIPHENYL-SILANYLOXY)-2-OXO-AZEPAN-3-YLCARBAMOYL]-(1S)-1-METHYL-ETHYL ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；295 K；PEG 2000 MME, Tris, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.80 Å R-free 0.277
1YDP 1.9A crystal structure of HLA-G Deposited 2004-12-25 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded CO COBALT (II) ION × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å R-free 0.264
1YDP 1.9A crystal structure of HLA-G Deposited 2004-12-25 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded CO COBALT (II) ION × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å R-free 0.264
1YPZ Immune receptor Deposited 2005-01-31 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 8 PDB declaration: octameric
Chain B 19–118（100 aa）
Chain D 19–118（100 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.40 Å R-free 0.330
1ZHK Crystal structure of HLA-B*3501 presenting 13-mer EBV antigen LPEPLPQGQLTAY Deposited 2005-04-26 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；0.2M Ammonium Acetate, 17% w/v PEG 3350, 100mM Cacodylate, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.60 Å R-free 0.231
1ZHL Crystal structure of HLA-B*3508 presenting 13-mer EBV antigen LPEPLPQGQLTAY Deposited 2005-04-26 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；0.2M Ammonium Acetate, 17% w/v PEG 3350, 100mM Cacodylate, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.50 Å R-free 0.227
1ZS8 Crystal Structure of the Murine MHC Class Ib Molecule M10.5 Deposited 2005-07-22 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；0.1 M imidazole, 20% PEG 1000, 0.2 M calcium acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.00 Å R-free 0.308
1ZS8 Crystal Structure of the Murine MHC Class Ib Molecule M10.5 Deposited 2005-07-22 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；0.1 M imidazole, 20% PEG 1000, 0.2 M calcium acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.00 Å R-free 0.308
1ZS8 Crystal Structure of the Murine MHC Class Ib Molecule M10.5 Deposited 2005-07-22 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；0.1 M imidazole, 20% PEG 1000, 0.2 M calcium acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.00 Å R-free 0.308
1ZS8 Crystal Structure of the Murine MHC Class Ib Molecule M10.5 Deposited 2005-07-22 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；0.1 M imidazole, 20% PEG 1000, 0.2 M calcium acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.00 Å R-free 0.308
1ZS8 Crystal Structure of the Murine MHC Class Ib Molecule M10.5 Deposited 2005-07-22 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain J 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；0.1 M imidazole, 20% PEG 1000, 0.2 M calcium acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.00 Å R-free 0.308
1ZS8 Crystal Structure of the Murine MHC Class Ib Molecule M10.5 Deposited 2005-07-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 10 PDB declaration: decameric
Chain B 21–119（99 aa）
Chain D 21–119（99 aa）
Chain F 21–119（99 aa）
Chain H 21–119（99 aa）
Chain J 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；0.1 M imidazole, 20% PEG 1000, 0.2 M calcium acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.00 Å R-free 0.308
1ZSD Crystal Structure Of HLA-B*3501 Presenting an 11-Mer EBV Antigen EPLPQGQLTAY Deposited 2005-05-24 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：beta-2-microglobulin
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；0.2M ammonium acetate, 17% w/v PEG 3350, 100mM cacodylate, pH 7.6, VAPOR DIFFUSION, HANGING DROP
Resolution 1.70 Å R-free 0.246
1ZT4 The crystal structure of human CD1d with and without alpha-Galactosylceramide Deposited 2005-05-26 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded AGH N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；PEG3350, potassium fluoride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K
Resolution 3.00 Å R-free 0.326
1ZT4 The crystal structure of human CD1d with and without alpha-Galactosylceramide Deposited 2005-05-26 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；PEG3350, potassium fluoride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K
Resolution 3.00 Å R-free 0.326
1ZT4 The crystal structure of human CD1d with and without alpha-Galactosylceramide Deposited 2005-05-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Chain D 21–119（99 aa）
Not recorded AGH N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；PEG3350, potassium fluoride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K
Resolution 3.00 Å R-free 0.326
1ZVS Crystal structure of the first class MHC mamu and Tat-Tl8 complex Deposited 2005-06-02 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；(NH4)2SO4, Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.80 Å R-free 0.257
1ZVS Crystal structure of the first class MHC mamu and Tat-Tl8 complex Deposited 2005-06-02 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；(NH4)2SO4, Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.80 Å R-free 0.257
2A83 Crystal structure of hla-b*2705 complexed with the glucagon receptor (gr) peptide (residues 412-420) Deposited 2005-07-07 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded GOL GLYCEROL × 6 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；14% PEG4000,100mM Tris/HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.40 Å R-free 0.150
2AK4 Crystal Structure of SB27 TCR in complex with HLA-B*3508-13mer peptide Deposited 2005-08-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded IOD IODIDE ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；277 K；200mM Potassium Iodide, 16% PEG 3350, 100mM Na Cacodylate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.50 Å R-free 0.278
2AK4 Crystal Structure of SB27 TCR in complex with HLA-B*3508-13mer peptide Deposited 2005-08-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded IOD IODIDE ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；277 K；200mM Potassium Iodide, 16% PEG 3350, 100mM Na Cacodylate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.50 Å R-free 0.278
2AK4 Crystal Structure of SB27 TCR in complex with HLA-B*3508-13mer peptide Deposited 2005-08-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa）
Not recorded IOD IODIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；277 K；200mM Potassium Iodide, 16% PEG 3350, 100mM Na Cacodylate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.50 Å R-free 0.278
2AK4 Crystal Structure of SB27 TCR in complex with HLA-B*3508-13mer peptide Deposited 2005-08-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 21–119（99 aa）
Not recorded IOD IODIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；277 K；200mM Potassium Iodide, 16% PEG 3350, 100mM Na Cacodylate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.50 Å R-free 0.278
2AV7 Crystal structure of HTLV-1 TAX peptide Bound to Human Class I MHC HLA-A2 with the K66A mutation in the heavy chain. Deposited 2005-08-29 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 14 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M., pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.05 Å R-free 0.234
2AV7 Crystal structure of HTLV-1 TAX peptide Bound to Human Class I MHC HLA-A2 with the K66A mutation in the heavy chain. Deposited 2005-08-29 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M., pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.05 Å R-free 0.234
2AXF The Immunogenicity of a Viral Cytotoxic T Cell Epitope is controlled by its MHC-bound Conformation Deposited 2005-09-05 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACY ACETIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；200mM Ammonium Acetate, 17% W/V PEG 3350, 100mM Cacodylate, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.80 Å R-free 0.234
2AXG The Immunogenicity of a Viral Cytotoxic T Cell Epitope is controlled by its MHC-bound Conformation Deposited 2005-09-05 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACY ACETIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；200mM Ammonium Acetate, 17% W/V PEG 3350, 100mM Cacodylate, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.234
2BCK Crystal Structure of HLA-A*2402 Complexed with a telomerase peptide Deposited 2005-10-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：residues 1-99
Not recorded SO4 SULFATE ION × 5 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；293 K；1.6M Ammonium Sulphate, 0.1M Sodium Chloride, 0.1M HEPES, 10% v/v Dioxane, pH 7.0, VAPOR DIFFUSION, temperature 293K
Resolution 2.80 Å R-free 0.256
2BCK Crystal Structure of HLA-A*2402 Complexed with a telomerase peptide Deposited 2005-10-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：residues 1-99
Not recorded SO4 SULFATE ION × 3 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；293 K；1.6M Ammonium Sulphate, 0.1M Sodium Chloride, 0.1M HEPES, 10% v/v Dioxane, pH 7.0, VAPOR DIFFUSION, temperature 293K
Resolution 2.80 Å R-free 0.256
2BCK Crystal Structure of HLA-A*2402 Complexed with a telomerase peptide Deposited 2005-10-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain B 21–119（99 aa） Fragment：residues 1-99
Chain E 21–119（99 aa） Fragment：residues 1-99
Not recorded SO4 SULFATE ION × 8 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；293 K；1.6M Ammonium Sulphate, 0.1M Sodium Chloride, 0.1M HEPES, 10% v/v Dioxane, pH 7.0, VAPOR DIFFUSION, temperature 293K
Resolution 2.80 Å R-free 0.256
2BNQ Structural and kinetic basis for heightened immunogenicity of T cell vaccines Deposited 2005-03-31 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：BETA-2-MICROGLOBULIN, RESIDUES 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.2；pH 7.20
Resolution 1.70 Å R-free 0.253
2BNR Structural and kinetic basis for heightened immunogenicity of T cell vaccines Deposited 2005-03-31 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：BETA-2-MICROGLOBULIN, RESIDUES 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.2；pH 7.20
Resolution 1.90 Å
2BSR Crystal structures and KIR3DL1 recognition of three immunodominant viral peptides complexed to HLA-B2705 Deposited 2005-05-23 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.50
Resolution 2.30 Å R-free 0.280
2BSS Crystal structures and KIR3DL1 recognition of three immunodominant viral peptides complexed to HLA-B2705 Deposited 2005-05-23 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–99（99 aa） Fragment：IMMUNOGLOBULIN DOMAIN, RESIDUES 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.50
Resolution 2.00 Å
2BST Crystal structures and KIR3DL1 recognition of three immunodominant viral peptides complexed to HLA-B2705 Deposited 2005-05-23 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.50
Resolution 2.10 Å
2BVO Structures of Three HIV-1 HLA-B5703-Peptide Complexes and Identification of Related HLAs Potentially Associated with Long-Term Non-Progression Deposited 2005-07-01 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.65 Å R-free 0.235
2BVP Structures of Three HIV-1 HLA-B5703-Peptide Complexes and Identification of Related HLAs Potentially Associated with Long-Term Non-Progression Deposited 2005-07-01 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.35 Å R-free 0.215
2BVQ Structures of Three HIV-1 HLA-B5703-Peptide Complexes and Identification of Related HLAs Potentially Associated with Long-Term Non-Progression Deposited 2005-07-01 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.267
2C7U Conflicting selective forces affect CD8 T-cell receptor contact sites in an HLA-A2 immunodominant HIV epitope. Deposited 2005-11-29 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.50
Resolution 2.38 Å R-free 0.314
2C7U Conflicting selective forces affect CD8 T-cell receptor contact sites in an HLA-A2 immunodominant HIV epitope. Deposited 2005-11-29 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.50
Resolution 2.38 Å R-free 0.314
2CII The crystal structure of H-2Db complexed with a partial peptide epitope suggests an MHC Class I assembly-intermediate Deposited 2006-03-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5；25% PEG 6000, 100MM AMMONIUM SULFATE, 100 MM SODIUM CHLORIDE, 50 MM MES PH 5.0
Resolution 2.55 Å R-free 0.297
2CIK Insights Into Crossreactivity in Human Allorecognition: The Structure of HLA-B35011 Presenting an Epitope derived from Cytochrome P450. Deposited 2006-03-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；0.105M AMMONIUM ACETATE, 0.0525M TRI-SODIUM CITRATE DIHYDRATE PH 5.6 AND 15.75% W/V PEG 4000
Resolution 1.75 Å R-free 0.227
2CLR THREE DIMENSIONAL STRUCTURE OF A PEPTIDE EXTENDING OUT ONE END OF A CLASS I MHC BINDING SITE Deposited 1994-08-01 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å
2CLR THREE DIMENSIONAL STRUCTURE OF A PEPTIDE EXTENDING OUT ONE END OF A CLASS I MHC BINDING SITE Deposited 1994-08-01 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å
2D31 Crystal structure of disulfide-linked HLA-G dimer Deposited 2005-09-23 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 10.5；293 K；CAPS, PEG8000, NaCl, pH 10.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.20 Å R-free 0.298
2D31 Crystal structure of disulfide-linked HLA-G dimer Deposited 2005-09-23 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 10.5；293 K；CAPS, PEG8000, NaCl, pH 10.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.20 Å R-free 0.298
2D4D The Crystal Structure of human beta2-microglobulin, L39W W60F W95F Mutant Deposited 2005-10-17 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Mutation：L39W, W60F, W95F NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；288 K；15% PEG4000, 25% glycerol, 0.2M ammonium acetate, 0.1M sodium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 288K
Resolution 2.10 Å R-free 0.265
2D4F The Crystal Structure of human beta2-microglobulin Deposited 2005-10-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Not recorded NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；288 K；20% PEG4000, 25% glycerol, 0.2M ammonium acetate, 0.1M sodium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 288K
Resolution 1.70 Å R-free 0.233
2DYP Crystal Structure of LILRB2(LIR2/ILT4/CD85d) complexed with HLA-G Deposited 2006-09-15 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：residues in data base 24-219
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.1M Tris-HCl pH8.0, 45% PEG400, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.278
2E8D 3D Structure of amyloid protofilaments of beta2-microglobulin fragment probed by solid-state NMR Deposited 2007-01-19 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 40–61（22 aa） Fragment：residues 40-61 (in UniProt numbering)
Chain B 40–61（22 aa） Fragment：residues 40-61 (in UniProt numbering)
Chain C 40–61（22 aa） Fragment：residues 40-61 (in UniProt numbering)
Chain D 40–61（22 aa） Fragment：residues 40-61 (in UniProt numbering)
Not recorded No recorded non-water small molecule SOLID-STATE NMR
NMR measurement conditions 245 K；Pressure ambient
NMR sample composition myloid fiber in a solid state
Resolution not provided
2ESV Structure of the HLA-E-VMAPRTLIL/KK50.4 TCR complex Deposited 2005-10-27 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded IOD IODIDE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；19-22% PEG 3350, 0.2M Potassium Iodide, pH 6.9-7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.60 Å R-free 0.292
2F53 Directed Evolution of Human T-cell Receptor CDR2 residues by phage display dramatically enhances affinity for cognate peptide-MHC without apparent cross-reactivity Deposited 2005-11-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：Beta-2 Microglobulin, residues 21-119
Mutation：K91C NA SODIUM ION × 1 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；85 mM HEPES, 8.5% Iso-propanol, 17% PEG4000, 15% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.231
2F53 Directed Evolution of Human T-cell Receptor CDR2 residues by phage display dramatically enhances affinity for cognate peptide-MHC without apparent cross-reactivity Deposited 2005-11-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：Beta-2 Microglobulin, residues 21-119
Mutation：K91C NA SODIUM ION × 1 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；85 mM HEPES, 8.5% Iso-propanol, 17% PEG4000, 15% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.231
2F54 Directed evolution of human T cell receptor CDR2 residues by phage display dramatically enhances affinity for cognate peptide-MHC without increasing apparent cross-reactivity Deposited 2005-11-25 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：Beta-2-microglobulin, residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；85 mM HEPES, 8.5% iso-propanol, 17% PEG 4000, 15% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.70 Å R-free 0.286
2F54 Directed evolution of human T cell receptor CDR2 residues by phage display dramatically enhances affinity for cognate peptide-MHC without increasing apparent cross-reactivity Deposited 2005-11-25 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa） Fragment：Beta-2-microglobulin, residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；85 mM HEPES, 8.5% iso-propanol, 17% PEG 4000, 15% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.70 Å R-free 0.286
2F74 Murine MHC class I H-2Db in complex with human b2-microglobulin and LCMV-derived immunodminant peptide gp33 Deposited 2005-11-30 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；290 K；20% PEG 6K, pH 8, VAPOR DIFFUSION, temperature 290K
Resolution 2.70 Å R-free 0.298
2F74 Murine MHC class I H-2Db in complex with human b2-microglobulin and LCMV-derived immunodminant peptide gp33 Deposited 2005-11-30 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；290 K；20% PEG 6K, pH 8, VAPOR DIFFUSION, temperature 290K
Resolution 2.70 Å R-free 0.298
2F8O A Native to Amyloidogenic Transition Regulated by a Backbone Trigger Deposited 2005-12-02 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 21–119（99 aa）
Chain B 21–119（99 aa）
Mutation：P32A Mutation：P32A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；295 K；31% PEG 4000, 25% glycerol, 0.2M ammonium acetate, 0.1M sodium acetate; drops contained 1ul of ~19 mg/ml protein, 1ul of mother liquor, and 1ul of 0.05M sodium acetate pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.70 Å R-free 0.227
2FYY The role of T cell receptor alpha genes in directing human MHC restriction Deposited 2006-02-08 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；17% PEG 3350, 100mM cacodylate, 200mM ammonium acetate, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.50 Å R-free 0.236
2FZ3 The role of T cell receptor alpha genes in directing human MHC restriction Deposited 2006-02-09 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；17% PEG 3350, 100mM cacodylate, 200mM ammonium acetate, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.275
2GIT Human Class I MHC HLA-A2 in complex with the modified HTLV-1 TAX (Y5K-4-[3-Indolyl]-butyric acid) peptide Deposited 2006-03-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：beta-2-microglobulin
Not recorded GOL GLYCEROL × 2 NA SODIUM ION × 1 FMT FORMIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, HCOOH 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.70 Å R-free 0.219
2GIT Human Class I MHC HLA-A2 in complex with the modified HTLV-1 TAX (Y5K-4-[3-Indolyl]-butyric acid) peptide Deposited 2006-03-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：beta-2-microglobulin
Not recorded GOL GLYCEROL × 4 FMT FORMIC ACID × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, HCOOH 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.70 Å R-free 0.219
2GJ6 The complex between TCR A6 and human Class I MHC HLA-A2 with the modified HTLV-1 TAX (Y5K-4-[3-Indolyl]-butyric acid) peptide Deposited 2006-03-30 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 5 GOL GLYCEROL × 13 3IB 3-INDOLEBUTYRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；297 K；PEG8000 30%, 0.1 M Sodium Cacodylate, 0.2 M Ammonium sulfate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.56 Å R-free 0.250
2GT9 Human Class I MHC HLA-A2 in complex with the decameric Melan-A/MART-1(26-35) peptide Deposited 2006-04-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：Beta-2-microglobulin (Residues 21-119)
Not recorded GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaCl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.75 Å R-free 0.213
2GT9 Human Class I MHC HLA-A2 in complex with the decameric Melan-A/MART-1(26-35) peptide Deposited 2006-04-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：Beta-2-microglobulin (Residues 21-119)
Not recorded GOL GLYCEROL × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaCl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.75 Å R-free 0.213
2GTW Human Class I MHC HLA-A2 in complex with the nonameric Melan-A/MART-1(27-35) peptide having A27L substitution Deposited 2006-04-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 FMT FORMIC ACID × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG 3350 24%, MES 0.025M, HCOOK 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.55 Å R-free 0.218
2GTW Human Class I MHC HLA-A2 in complex with the nonameric Melan-A/MART-1(27-35) peptide having A27L substitution Deposited 2006-04-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 FMT FORMIC ACID × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG 3350 24%, MES 0.025M, HCOOK 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.55 Å R-free 0.218
2GTZ Human Class I MHC HLA-A2 in complex with the nonameric Melan-A/MART-1(27-35) peptide having A28L substitution Deposited 2006-04-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG 3350 24%, MES 0.025M, NH4Cl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.70 Å R-free 0.217
2GTZ Human Class I MHC HLA-A2 in complex with the nonameric Melan-A/MART-1(27-35) peptide having A28L substitution Deposited 2006-04-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG 3350 24%, MES 0.025M, NH4Cl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.70 Å R-free 0.217
2GUO Human Class I MHC HLA-A2 in complex with the native nonameric Melan-A/MART-1(27-35) peptide Deposited 2006-05-01 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：Beta-2-microglobulin (Residues 21-119)
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaCl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.90 Å R-free 0.244
2GUO Human Class I MHC HLA-A2 in complex with the native nonameric Melan-A/MART-1(27-35) peptide Deposited 2006-05-01 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：Beta-2-microglobulin (Residues 21-119)
Not recorded GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaCl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.90 Å R-free 0.244
2H26 human CD1b in complex with endogenous phosphatidylcholine and spacer Deposited 2006-05-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded 6PL (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE × 1 6UL TETRACOSYL PALMITATE × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；1.5 M ammonium sulfate 5 % (v/v) isopropanol 0.1 M Na citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.241
2H6P Crystal structure of HLA-B*3501 presenting the human cytochrome P450 derived peptide, KPIVVLHGY Deposited 2006-05-31 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；18% PEG 3350, 0.1M ammonium acetate, 0.1M cacodylate, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.239
2HJK Crystal Structure of HLA-B5703 and HIV-1 peptide Deposited 2006-06-30 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：Beta-2-microglobulin domain (Residues 21-119)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.85 Å R-free 0.237
2HJL Crystal Structure of HLA-B5703 and HIV-1 peptide Deposited 2006-06-30 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：Beta-2-microglobulin domain (Residues 21-119)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.50 Å R-free 0.226
2HLA SPECIFICITY POCKETS FOR THE SIDE CHAINS OF PEPTIDE ANTIGENS IN HLA-AW68 Deposited 1989-10-05 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.60 Å
2HN7 HLA-A*1101 in complex with HBV peptide homologue Deposited 2006-07-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293.15 K；25% PEG 5000 MME, 0.2M AMMONIUM SULFATE, 0.1M MES, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
Resolution 1.60 Å R-free 0.212
2J8U Large CDR3a loop alteration as a function of MHC mutation. Deposited 2006-10-27 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；1.0 M NACL 20% PEG 8000 MES, PH 6.5
Resolution 2.88 Å R-free 0.293
2J8U Large CDR3a loop alteration as a function of MHC mutation. Deposited 2006-10-27 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain I 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；1.0 M NACL 20% PEG 8000 MES, PH 6.5
Resolution 2.88 Å R-free 0.293
2JCC AH3 recognition of mutant HLA-A2 W167A Deposited 2006-12-21 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.50 Å R-free 0.292
2JCC AH3 recognition of mutant HLA-A2 W167A Deposited 2006-12-21 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain I 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.50 Å R-free 0.292
2NW3 Crystal structure of HLA-B*3508 presenting EBV peptide EPLPQGQLTAY at 1.7A Deposited 2006-11-14 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；0.2M Ammonium acetate, 0.1M Cacodylate (pH7.7), 16% PEG 3350, pH 7.6, vapor diffusion, hanging drop, temperature 277K
Resolution 1.70 Å R-free 0.236
2NX5 Crystal structure of ELS4 TCR bound to HLA-B*3501 presenting EBV peptide EPLPQGQLTAY at 1.7A Deposited 2006-11-16 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；277 K；0.1M Na Cacodylate (pH6.4), 0.2M CaCl2, 16% PEG 3350, 3% 1,6Hexanediol, vapor diffusion, hanging drop, temperature 277K
Resolution 2.70 Å R-free 0.327
2NX5 Crystal structure of ELS4 TCR bound to HLA-B*3501 presenting EBV peptide EPLPQGQLTAY at 1.7A Deposited 2006-11-16 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；277 K；0.1M Na Cacodylate (pH6.4), 0.2M CaCl2, 16% PEG 3350, 3% 1,6Hexanediol, vapor diffusion, hanging drop, temperature 277K
Resolution 2.70 Å R-free 0.327
2NX5 Crystal structure of ELS4 TCR bound to HLA-B*3501 presenting EBV peptide EPLPQGQLTAY at 1.7A Deposited 2006-11-16 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；277 K；0.1M Na Cacodylate (pH6.4), 0.2M CaCl2, 16% PEG 3350, 3% 1,6Hexanediol, vapor diffusion, hanging drop, temperature 277K
Resolution 2.70 Å R-free 0.327
2NX5 Crystal structure of ELS4 TCR bound to HLA-B*3501 presenting EBV peptide EPLPQGQLTAY at 1.7A Deposited 2006-11-16 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；277 K；0.1M Na Cacodylate (pH6.4), 0.2M CaCl2, 16% PEG 3350, 3% 1,6Hexanediol, vapor diffusion, hanging drop, temperature 277K
Resolution 2.70 Å R-free 0.327
2P5E Crystal Structures of High Affinity Human T-Cell Receptors Bound to pMHC Reveal Native Diagonal Binding Geometry Deposited 2007-03-15 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：BETA-2 MICROGLOBULIN, RESIDUES 21-119
Not recorded GOL GLYCEROL × 8 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 5 IPA ISOPROPYL ALCOHOL × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；293 K；85 mM HEPES, 8.5% Isopropanol, 17% PEG 4000, 15% Glycerol, pH 7.5, VAPOR DIFFUSION, temperature 293K, pH 7.50
Resolution 1.89 Å R-free 0.236
2P5W Crystal structures of high affinity human T-cell receptors bound to pMHC reveal native diagonal binding geometry Deposited 2007-03-16 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：Beta-2 Microglobulin, RESIDUES 21-119
Not recorded SO4 SULFATE ION × 6 GOL GLYCEROL × 11 CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；293 K；85 MM HEPES, 8.5% ISO-PROPANOL, 17% PEG4000, 15% GLYCEROL, PH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 7.50
Resolution 2.20 Å R-free 0.245
2PO6 Crystal structure of CD1d-lipid-antigen complexed with Beta-2-Microglobulin, NKT15 Alpha-Chain and NKT15 Beta-Chain Deposited 2007-04-25 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：beta-2-microglobulin
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 AGH N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；13% PEG 10K, 0.1M bis-tris propane, 0.2M tri-sodium citrate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.20 Å R-free 0.293
2PO6 Crystal structure of CD1d-lipid-antigen complexed with Beta-2-Microglobulin, NKT15 Alpha-Chain and NKT15 Beta-Chain Deposited 2007-04-25 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa） Fragment：beta-2-microglobulin
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 AGH N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；13% PEG 10K, 0.1M bis-tris propane, 0.2M tri-sodium citrate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.20 Å R-free 0.293
2PYE Crystal Structures of High Affinity Human T-Cell Receptors Bound to pMHC RevealNative Diagonal Binding Geometry TCR Clone C5C1 Complexed with MHC Deposited 2007-05-16 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：BETA-2 MICROGLOBULIN, RESIDUES 21-119
Not recorded SO4 SULFATE ION × 9 PGE TRIETHYLENE GLYCOL × 3 7PE 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL × 1 GOL GLYCEROL × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；85 mM Na HEPES buffer pH7.5, 8.5 % iso-propanol, 17% PEG 4000, 15% glycerol, pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.30 Å R-free 0.283
2RFX Crystal Structure of HLA-B*5701, presenting the self peptide, LSSPVTKSF Deposited 2007-10-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å R-free 0.268
2UWE Large CDR3a loop alteration as a function of MHC mutation Deposited 2007-03-20 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.8；14% PEG 8000, 1 M NACL, 25 MM HEPES, PH 7.8
Resolution 2.40 Å R-free 0.290
2UWE Large CDR3a loop alteration as a function of MHC mutation Deposited 2007-03-20 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain I 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.8；14% PEG 8000, 1 M NACL, 25 MM HEPES, PH 7.8
Resolution 2.40 Å R-free 0.290
2V2W T CELL CROSS-REACTIVITY AND CONFORMATIONAL CHANGES DURING TCR ENGAGEMENT Deposited 2007-06-07 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 1.60 Å R-free 0.237
2V2W T CELL CROSS-REACTIVITY AND CONFORMATIONAL CHANGES DURING TCR ENGAGEMENT Deposited 2007-06-07 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 1.60 Å R-free 0.237
2V2X T cell cross-reactivity and conformational changes during TCR engagement. Deposited 2007-06-07 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 1.60 Å R-free 0.238
2V2X T cell cross-reactivity and conformational changes during TCR engagement. Deposited 2007-06-07 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 1.60 Å R-free 0.238
2VB5 Solution structure of W60G mutant of human beta2-microglobulin Deposited 2007-09-06 Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Mutation：YES No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.6；310 K；Ionic strength (raw mmCIF value) 100；Pressure 1.0
NMR sample composition 95% WATER/5% D2O
Resolution not provided
2VLJ The Structural Dynamics and Energetics of an Immunodominant T-cell Receptor are Programmed by its Vbeta Domain Deposited 2008-01-15 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.40 Å R-free 0.272
2VLK The Structural Dynamics and Energetics of an Immunodominant T-cell Receptor are Programmed by its Vbeta Domain Deposited 2008-01-15 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å R-free 0.288
2VLL The Structural Dynamics and Energetics of an Immunodominant T-cell Receptor are Programmed by its Vbeta Domain Deposited 2008-01-15 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.60 Å R-free 0.242
2VLL The Structural Dynamics and Energetics of an Immunodominant T-cell Receptor are Programmed by its Vbeta Domain Deposited 2008-01-15 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.60 Å R-free 0.242
2VLR The Structural Dynamics and Energetics of an Immunodominant T-cell Receptor are Programmed by its Vbeta Domain Deposited 2008-01-15 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å R-free 0.281
2VLR The Structural Dynamics and Energetics of an Immunodominant T-cell Receptor are Programmed by its Vbeta Domain Deposited 2008-01-15 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å R-free 0.281
2X4N Crystal structure of MHC CLass I HLA-A2.1 bound to residual fragments of a photocleavable peptide that is cleaved upon UV-light treatment Deposited 2010-02-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；100 MM MES PH 5.5, 20% PEG 1500. CRYSTALS WERE FROZEN IN 100 MM MES, 30% PEG 1500, 10% GLYCEROL
Resolution 2.34 Å R-free 0.274
2X4N Crystal structure of MHC CLass I HLA-A2.1 bound to residual fragments of a photocleavable peptide that is cleaved upon UV-light treatment Deposited 2010-02-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 7 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；100 MM MES PH 5.5, 20% PEG 1500. CRYSTALS WERE FROZEN IN 100 MM MES, 30% PEG 1500, 10% GLYCEROL
Resolution 2.34 Å R-free 0.274
2X4O Crystal structure of MHC CLass I HLA-A2.1 bound to HIV-1 envelope peptide env120-128 Deposited 2010-02-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 5 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.30 Å R-free 0.239
2X4O Crystal structure of MHC CLass I HLA-A2.1 bound to HIV-1 envelope peptide env120-128 Deposited 2010-02-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.30 Å R-free 0.239
2X4P Crystal structure of MHC CLass I HLA-A2.1 bound to a photocleavable peptide Deposited 2010-02-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；0.1 M MES PH 6.5, 20% PEG1500
Resolution 2.30 Å R-free 0.222
2X4P Crystal structure of MHC CLass I HLA-A2.1 bound to a photocleavable peptide Deposited 2010-02-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；0.1 M MES PH 6.5, 20% PEG1500
Resolution 2.30 Å R-free 0.222
2X4Q Crystal structure of MHC CLass I HLA-A2.1 bound to a photocleavable peptide Deposited 2010-02-02 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；0.1M MES PH 6.5, 20% PEG1500
Resolution 1.90 Å R-free 0.206
2X4Q Crystal structure of MHC CLass I HLA-A2.1 bound to a photocleavable peptide Deposited 2010-02-02 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；0.1M MES PH 6.5, 20% PEG1500
Resolution 1.90 Å R-free 0.206
2X4R Crystal structure of MHC CLass I HLA-A2.1 bound to Cytomegalovirus (CMV) pp65 epitope Deposited 2010-02-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded GOL GLYCEROL × 7 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；0.1 M MES PH 6.5, 20% PEG1500
Resolution 2.30 Å R-free 0.220
2X4R Crystal structure of MHC CLass I HLA-A2.1 bound to Cytomegalovirus (CMV) pp65 epitope Deposited 2010-02-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；0.1 M MES PH 6.5, 20% PEG1500
Resolution 2.30 Å R-free 0.220
2X4S Crystal structure of MHC CLass I HLA-A2.1 bound to a peptide representing the epitope of the H5N1 (Avian Flu) Nucleoprotein Deposited 2010-02-02 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) GOL GLYCEROL × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.55 Å R-free 0.247
2X4S Crystal structure of MHC CLass I HLA-A2.1 bound to a peptide representing the epitope of the H5N1 (Avian Flu) Nucleoprotein Deposited 2010-02-02 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.55 Å R-free 0.247
2X4T Crystal structure of MHC CLass I HLA-A2.1 bound to a Peiodate- cleavable peptide Deposited 2010-02-02 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) GOL GLYCEROL × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；0.1 M MES PH 6.5, 22% PEG1500
Resolution 2.30 Å R-free 0.236
2X4T Crystal structure of MHC CLass I HLA-A2.1 bound to a Peiodate- cleavable peptide Deposited 2010-02-02 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) GOL GLYCEROL × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；0.1 M MES PH 6.5, 22% PEG1500
Resolution 2.30 Å R-free 0.236
2X4U Crystal structure of MHC CLass I HLA-A2.1 bound to HIV-1 Peptide RT468-476 Deposited 2010-02-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 5 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；100 MM MES PH 5.5, 20% PEG 1500. CRYSTALS WERE FROZEN IN 100 MM MES, 30% PEG 1500, 10% GLYCEROL
Resolution 2.10 Å R-free 0.234
2X4U Crystal structure of MHC CLass I HLA-A2.1 bound to HIV-1 Peptide RT468-476 Deposited 2010-02-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；100 MM MES PH 5.5, 20% PEG 1500. CRYSTALS WERE FROZEN IN 100 MM MES, 30% PEG 1500, 10% GLYCEROL
Resolution 2.10 Å R-free 0.234
2X70 Crystal structure of MHC CLass I HLA-A2.1 bound to a photocleavable peptide Deposited 2010-02-22 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded GOL GLYCEROL × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；VAPOUR DIFFUSION HANGING DROP AT 293K: 2 MICROLITER OF 5 MG/ML PROTEIN IN 0.1 M MES PH 6.0 WAS MIXED WITH 2 MICROLITER OF 0.1 M MES PH 6.5, 20-22% PEG 1500. SEEDING WAS USED TO GET BIGGER CRYSTALS
Resolution 2.00 Å R-free 0.225
2X70 Crystal structure of MHC CLass I HLA-A2.1 bound to a photocleavable peptide Deposited 2010-02-22 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded GOL GLYCEROL × 3 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；VAPOUR DIFFUSION HANGING DROP AT 293K: 2 MICROLITER OF 5 MG/ML PROTEIN IN 0.1 M MES PH 6.0 WAS MIXED WITH 2 MICROLITER OF 0.1 M MES PH 6.5, 20-22% PEG 1500. SEEDING WAS USED TO GET BIGGER CRYSTALS
Resolution 2.00 Å R-free 0.225
2X89 Structure of the Beta2_microglobulin involved in amyloidogenesis Deposited 2010-03-07 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain F 27–119（93 aa） Fragment：RESIDUES 27-119
Chain G 27–119（93 aa） Fragment：RESIDUES 27-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions 6%PEG4000, 0.2M AMMONIUM SULPHATE, 0.1M NA-ACETEATE PH4.6
Resolution 2.16 Å R-free 0.267
2X89 Structure of the Beta2_microglobulin involved in amyloidogenesis Deposited 2010-03-07 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain D 27–119（93 aa） Fragment：RESIDUES 27-119
Chain E 27–119（93 aa） Fragment：RESIDUES 27-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions 6%PEG4000, 0.2M AMMONIUM SULPHATE, 0.1M NA-ACETEATE PH4.6
Resolution 2.16 Å R-free 0.267
2XKS Prion-like conversion during amyloid formation at atomic resolution Deposited 2010-07-12 Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.5；298 K；Ionic strength (raw mmCIF value) 0.04；Pressure 1.0
NMR sample composition 90% H2O/10% D2O
NMR sample composition 100% D2O
Resolution not provided
2XKU Prion-like conversion during amyloid formation at atomic resolution Deposited 2010-07-12 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–119（93 aa） Fragment：IMMUNGLOBULIN, RESIDUES 27-119
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.5；298 K；Ionic strength (raw mmCIF value) 0.04；Pressure 1.0
NMR measurement conditions pH 7.5；298 K；Ionic strength (raw mmCIF value) 0.04；Pressure 1.0
NMR measurement conditions pH 7.5；298 K；Ionic strength (raw mmCIF value) 0.04；Pressure 1.0
NMR measurement conditions pH 7.5；298 K；Ionic strength (raw mmCIF value) 0.04；Pressure 1.0
NMR sample composition 90% H2O/10% D2O
NMR sample composition 100% D2O
Resolution not provided
2XPG Crystal structure of a MHC class I-peptide complex Deposited 2010-08-26 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 22–118（97 aa） Fragment：BETA2-MICROGLOBULIN FORM PI 5.3, RESIDUES 22-118
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；0.1 M BIS-TRIS-PROPANE, PH 8.0, 0.2 M NA/K PHOSPHATE, 20% (V/V) PEG3350
Resolution 2.60 Å R-free 0.247
2YPK Structural features underlying T-cell receptor sensitivity to concealed MHC class I micropolymorphisms Deposited 2012-10-30 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；16% PEG 8000, 50MM MES PH6.5
Resolution 1.95 Å R-free 0.252
2YPL Structural features underlying T-cell receptor sensitivity to concealed MHC class I micropolymorphisms Deposited 2012-10-30 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.3；pH 7.3
Resolution 2.40 Å R-free 0.277
2YXF The high resolution crystal structure of beta2-microglobulin under physiological conditions Deposited 2007-04-26 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；288 K；25% PEG 4000, 25% Glycerol, 0.06M ammoniumacetate, 0.1M MOPS, pH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 288K
Resolution 1.13 Å R-free 0.195
2Z9T Crystal structure of the human beta-2 microglobulin mutant W60G Deposited 2007-09-26 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Mutation：W60G No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；0.1M MES, PEG 4000, Ammonium acetate, glycerol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.214
2Z9T Crystal structure of the human beta-2 microglobulin mutant W60G Deposited 2007-09-26 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 21–119（99 aa）
Mutation：W60G No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；0.1M MES, PEG 4000, Ammonium acetate, glycerol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.214
3AM8 Crystal Structure of a Human Major Histocompatibilty complex Deposited 2010-08-18 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；294 K；14-19% PEG 3350, 2% MPD, 0.2M MgCl2, 0.1M Tris, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.80 Å R-free 0.251
3AM8 Crystal Structure of a Human Major Histocompatibilty complex Deposited 2010-08-18 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；294 K；14-19% PEG 3350, 2% MPD, 0.2M MgCl2, 0.1M Tris, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.80 Å R-free 0.251
3B3I Citrullination-dependent differential presentation of a self-peptide by HLA-B27 subtypes Deposited 2007-10-22 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；0.1 M Tris, 25% PEG 8000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.86 Å R-free 0.233
3B6S Crystal Structure of hla-b*2705 Complexed with the Citrullinated Vasoactive Intestinal Peptide Type 1 Receptor (vipr) Peptide (residues 400-408) Deposited 2007-10-29 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；281 K；0.1M Tris HCl, 24% PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 281K
Resolution 1.80 Å R-free 0.223
3BGM Crystal Structure of PKD2 Phosphopeptide Bound to Human Class I MHC HLA-A2 Deposited 2007-11-27 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；17% PEG 8000, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.60 Å R-free 0.232
3BH8 Crystal Structure of RQA_M Phosphopeptide Bound to HUMAN Class I MHC HLA-A2 Deposited 2007-11-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；17% PEG 8000, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.65 Å R-free 0.231
3BH9 Crystal Structure of RTY Phosphopeptide Bound to Human Class I MHC HLA-A2 Deposited 2007-11-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded NA SODIUM ION × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；21% PEG 3350, 0.1M sodium thiocyanate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.229
3BH9 Crystal Structure of RTY Phosphopeptide Bound to Human Class I MHC HLA-A2 Deposited 2007-11-28 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain B 21–119（99 aa）
Not recorded NA SODIUM ION × 2 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；21% PEG 3350, 0.1M sodium thiocyanate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.229
3BHB Crystal Structure of KMD Phosphopeptide Bound to Human Class I MHC HLA-A2 Deposited 2007-11-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 22–119（98 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；24% POLYACRYLIC ACID, 0.1M HEPES, 0.09M MgCl2, pH 7.5, VAPOR DIFFUSION, hanging drop, temperature 298K
Resolution 2.20 Å R-free 0.256
3BO8 The High Resolution Crystal Structure of HLA-A1 Complexed with the MAGE-A1 Peptide Deposited 2007-12-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；20% PEG 3350, 0.2M Sodium Fluoride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.80 Å R-free 0.225
3BP4 The high resolution crystal structure of HLA-B*2705 in complex with a Cathepsin A signal sequence peptide pCatA Deposited 2007-12-18 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；23% PEG 8000, 0.1M Tris buffer pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.85 Å R-free 0.222
3BP7 The high resolution crystal structure of HLA-B*2709 in complex with a Cathepsin A signal sequence peptide, pCatA Deposited 2007-12-18 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；23.5% PEG 8000, 0.1M Tris buffer pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.80 Å R-free 0.204
3BVN High resolution crystal structure of HLA-B*1402 in complex with the latent membrane protein 2 peptide (LMP2) of Epstein-Barr virus Deposited 2008-01-07 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20-22%(w/v) PEG 20 000, 0.1 M HEPES buffer pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.55 Å R-free 0.268
3BVN High resolution crystal structure of HLA-B*1402 in complex with the latent membrane protein 2 peptide (LMP2) of Epstein-Barr virus Deposited 2008-01-07 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；20-22%(w/v) PEG 20 000, 0.1 M HEPES buffer pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.55 Å R-free 0.268
3BW9 Crystal Structure of HLA B*3508 in complex with a HCMV 12-mer peptide from the pp65 protein Deposited 2008-01-08 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；0.2M ammonium acetate, 16% PEG 3350, pH 7.6, vapor diffusion, hanging drop, temperature 277K
Resolution 1.75 Å R-free 0.235
3BWA Crystal Structure of HLA B*3508 in complex with a HCMV 8-mer peptide from the pp65 protein Deposited 2008-01-08 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；0.2M ammonium acetate, 16% PEG 3350, pH 7.6, vapor diffusion, hanging drop, temperature 277K
Resolution 1.30 Å R-free 0.209
3BXN The high resolution crystal structure of HLA-B*1402 complexed with a Cathepsin A signal sequence peptide, pCatA Deposited 2008-01-14 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；24- 27%(w/v) PEG 20000, with 0.1 M HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.86 Å R-free 0.219
3BZE The human non-classical major histocompatibility complex molecule HLA-E Deposited 2008-01-17 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；293 K；14-19% PEG 3350, 2% MPD, 0.2M MgCl2, 0.1M Tris, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.296
3BZE The human non-classical major histocompatibility complex molecule HLA-E Deposited 2008-01-17 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；293 K；14-19% PEG 3350, 2% MPD, 0.2M MgCl2, 0.1M Tris, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.296
3BZE The human non-classical major histocompatibility complex molecule HLA-E Deposited 2008-01-17 Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；293 K；14-19% PEG 3350, 2% MPD, 0.2M MgCl2, 0.1M Tris, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.296
3BZE The human non-classical major histocompatibility complex molecule HLA-E Deposited 2008-01-17 Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；293 K；14-19% PEG 3350, 2% MPD, 0.2M MgCl2, 0.1M Tris, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.296
3BZF The human non-classical major histocompatibility complex molecule HLA-E Deposited 2008-01-17 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 23–119（97 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；293 K；19% PEG 3350, 0.3M NaCl, 0.1M Tris, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.269
3BZF The human non-classical major histocompatibility complex molecule HLA-E Deposited 2008-01-17 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 23–119（97 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；293 K；19% PEG 3350, 0.3M NaCl, 0.1M Tris, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.269
3C9N Crystal Structure of a SARS Corona Virus Derived Peptide Bound to the Human Major Histocompatibility Complex Class I molecule HLA-B*1501 Deposited 2008-02-18 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded PG4 TETRAETHYLENE GLYCOL × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；273 K；0.2M Magnesium chloride hexahydrate, 0.1M HEPES sodium, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 273K, pH 7.50
Resolution 1.87 Å R-free 0.227
3CDG Human CD94/NKG2A in complex with HLA-E Deposited 2008-02-26 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.9；291 K；Ammonium sulfate, pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 3.40 Å R-free 0.279
3CDG Human CD94/NKG2A in complex with HLA-E Deposited 2008-02-26 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.9；291 K；Ammonium sulfate, pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 3.40 Å R-free 0.279
3CII Structure of NKG2A/CD94 bound to HLA-E Deposited 2008-03-11 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；1.8M ammonium sulfate, 0.3-0.7% sucrose, 100 mM Tris (8.0), VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 4.41 Å R-free 0.355
3CII Structure of NKG2A/CD94 bound to HLA-E Deposited 2008-03-11 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；1.8M ammonium sulfate, 0.3-0.7% sucrose, 100 mM Tris (8.0), VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 4.41 Å R-free 0.355
3CIQ A regulatable switch mediates self-association in an immunoglobulin fold Deposited 2008-03-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain G 21–119（99 aa）
Chain H 21–119（99 aa）
Chain I 21–119（99 aa）
Chain J 21–119（99 aa）
Chain K 21–119（99 aa）
Chain L 21–119（99 aa）
Mutation：H13F Mutation：H13F Mutation：H13F Mutation：H13F Mutation：H13F Mutation：H13F CU COPPER (II) ION × 6 TLA L(+)-TARTARIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；288 K；28% PEG 3350, 200 mM ammonium tartrate dibasic, pH 7.40, VAPOR DIFFUSION, SITTING DROP, temperature 288K
Resolution 2.90 Å R-free 0.264
3CIQ A regulatable switch mediates self-association in an immunoglobulin fold Deposited 2008-03-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 21–119（99 aa）
Chain B 21–119（99 aa）
Chain C 21–119（99 aa）
Chain D 21–119（99 aa）
Chain E 21–119（99 aa）
Chain F 21–119（99 aa）
Mutation：H13F Mutation：H13F Mutation：H13F Mutation：H13F Mutation：H13F Mutation：H13F CU COPPER (II) ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；288 K；28% PEG 3350, 200 mM ammonium tartrate dibasic, pH 7.40, VAPOR DIFFUSION, SITTING DROP, temperature 288K
Resolution 2.90 Å R-free 0.264
3CZF Crystal structure of HLA-B*2709 complexed with the glucagon receptor (GR) peptide (residues 412-420) Deposited 2008-04-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；291 K；14% (w/v) PEG 4000, 20mM Tris/HCl pH 7.5, 150mM NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 291K, pH 7.50
Resolution 1.20 Å R-free 0.149
3D18 Crystal structure of HLA-B*2709 complexed with a variant of the latent membrane protein 2 peptide (LMP2(L)) of epstein-barr virus Deposited 2008-05-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：Residues 21-119
Not recorded GOL GLYCEROL × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；20% PEG 4000, 0.1M MES, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.74 Å R-free 0.233
3D25 Crystal structure of HA-1 minor histocompatibility antigen bound to human class I MHC HLA-A2 Deposited 2008-05-07 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 22–119（98 aa） Fragment：UNP residues 22-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；298 K；20 % PEG 10K, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 7.50
Resolution 1.30 Å R-free 0.204
3D2U Structure of UL18, a Peptide-Binding Viral MHC Mimic, Bound to a Host Inhibitory Receptor Deposited 2008-05-08 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 7 MAN alpha-D-mannopyranose × 1 BMA beta-D-mannopyranose × 1 FUC alpha-L-fucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.4 M Mg(NO3)2, and 16~22% (w/v) PEG 33500, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.21 Å R-free 0.259
3D2U Structure of UL18, a Peptide-Binding Viral MHC Mimic, Bound to a Host Inhibitory Receptor Deposited 2008-05-08 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.4 M Mg(NO3)2, and 16~22% (w/v) PEG 33500, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.21 Å R-free 0.259
3D39 The complex between TCR A6 and human Class I MHC HLA-A2 with the modified HTLV-1 TAX (Y5(4-fluoroPhenylalanine)) peptide Deposited 2008-05-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；297 K；TRIS 0.1 M, PEG4000 15%, MgCl2 0.2M, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.81 Å R-free 0.269
3D3V The complex between TCR A6 and human Class I MHC HLA-A2 with the modified HTLV-1 TAX (Y5(3,4-difluoroPhenylalanine)) peptide Deposited 2008-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；297 K；TRIS 0.1 M, PEG4000 15%, MgCl2 0.2M, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.80 Å R-free 0.278
3DBX Structure of chicken CD1-2 with bound fatty acid Deposited 2008-06-02 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 PLM PALMITIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；20% PEG4000, 0.1M sodium citrate, 10% isopropanol, pH5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.00 Å R-free 0.266
3DHJ Beta 2 microglobulin mutant W60C Deposited 2008-06-18 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Mutation：W60C No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；0.1M Na acetate, PEG 4000, Ammonium acetate, glycerol, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.212
3DHM Beta 2 microglobulin mutant D59P Deposited 2008-06-18 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Mutation：D59P No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；0.1M Na acetate, PEG 4000, Ammonium acetate, glycerol, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.222
3DTX Crystal structure of HLA-B*2705 complexed with the double citrullinated vasoactive intestinal peptide type 1 receptor (VIPR) peptide (residues 400-408) Deposited 2008-07-16 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain B 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；0.1M TRIS HCL, 25% PEG 8000,, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.10 Å R-free 0.262
3DTX Crystal structure of HLA-B*2705 complexed with the double citrullinated vasoactive intestinal peptide type 1 receptor (VIPR) peptide (residues 400-408) Deposited 2008-07-16 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；0.1M TRIS HCL, 25% PEG 8000,, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.10 Å R-free 0.262
3DX6 Crystal Structure of B*4402 presenting a 10mer EBV epitope Deposited 2008-07-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 9 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；Citrate, Ammonium Acetate, PEG 4000, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.70 Å R-free 0.251
3DX7 Crystal Structure of HLA-B*4403 presenting 10mer EBV antigen Deposited 2008-07-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 4 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；Citrate, Ammonium Acetate, PEG 4000, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.60 Å R-free 0.210
3DX8 Crystal Structure of B*4405 presenting a 10mer EBV epitope Deposited 2008-07-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；Citrate, Ammonium Acetate, PEG 4000, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 2.10 Å R-free 0.255
3DXA Crystal Structure of the DM1 TCR in complex with HLA-B*4405 and decamer EBV antigen Deposited 2008-07-23 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；Bicine, Lithium Sulfate, PEG 3350, pH 9.0, vapor diffusion, hanging drop, temperature 293K
Resolution 3.50 Å R-free 0.330
3DXA Crystal Structure of the DM1 TCR in complex with HLA-B*4405 and decamer EBV antigen Deposited 2008-07-23 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；Bicine, Lithium Sulfate, PEG 3350, pH 9.0, vapor diffusion, hanging drop, temperature 293K
Resolution 3.50 Å R-free 0.330
3DXA Crystal Structure of the DM1 TCR in complex with HLA-B*4405 and decamer EBV antigen Deposited 2008-07-23 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；Bicine, Lithium Sulfate, PEG 3350, pH 9.0, vapor diffusion, hanging drop, temperature 293K
Resolution 3.50 Å R-free 0.330
3EKC structure of W60V beta-2 microglobulin mutant Deposited 2008-09-19 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Mutation：W60V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；0.1M Na acetate, PEG 4000, Ammonium acetate, glycerol, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.240
3FFC Crystal Structure of CF34 TCR in complex with HLA-B8/FLR Deposited 2008-12-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded CD CADMIUM ION × 5 CL CHLORIDE ION × 6 NA SODIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.4；293 K；11% PEG 20000, 0.2M LiSO4, 0.1M Tris, 6mM CdCl, 4% ethylene glycol, 4% dioxane, pH 8.4, vapor diffusion, hanging drop, temperature 293K
Resolution 2.80 Å R-free 0.268
3FFC Crystal Structure of CF34 TCR in complex with HLA-B8/FLR Deposited 2008-12-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded CD CADMIUM ION × 5 CL CHLORIDE ION × 5 NA SODIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.4；293 K；11% PEG 20000, 0.2M LiSO4, 0.1M Tris, 6mM CdCl, 4% ethylene glycol, 4% dioxane, pH 8.4, vapor diffusion, hanging drop, temperature 293K
Resolution 2.80 Å R-free 0.268
3FQN Phosphorylation of self-peptides alters Human Leukocyte Antigen Class I-restricted antigen presentation and generates tumor specific epitopes Deposited 2009-01-07 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 22–119（98 aa）
Not recorded CD CADMIUM ION × 6 MG MAGNESIUM ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；13% PEG3350, 5mM CdCl2, 5mM MgCl2, 0.1M NaCl, pH7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.65 Å R-free 0.197
3FQR Phosphorylation of self-peptides alters Human Leukocyte Antigen Class I-restricted antigen presentation and generates tumor specific epitopes Deposited 2009-01-07 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 22–119（98 aa）
Not recorded GOL GLYCEROL × 3 MG MAGNESIUM ION × 2 CD CADMIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；13% PEG3350, 5mM CdCl2, 5mM MgCl2, 0.1M NaCl, pH7.4, temperature 293K, VAPOR DIFFUSION, HANGING DROP
Resolution 1.70 Å R-free 0.189
3FQT Phosphorylation of self-peptides alters Human Leukocyte Antigen Class I-restricted antigen presentation and generates tumor specific epitopes Deposited 2009-01-07 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 22–119（98 aa）
Not recorded CD CADMIUM ION × 6 MG MAGNESIUM ION × 1 GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；13% PEG3350, 3mM CdCl2, 3mM MgCl2, 0.1M NaCl, pH7.4, temperature 293K, VAPOR DIFFUSION, HANGING DROP
Resolution 1.80 Å R-free 0.204
3FQU Phosphorylation of self-peptides alters Human Leukocyte Antigen Class I-restricted antigen presentation and generates tumor specific epitopes Deposited 2009-01-07 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 22–119（98 aa）
Not recorded GOL GLYCEROL × 4 CD CADMIUM ION × 6 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；13% PEG3350, 3mM CdCl2, 3mM MgCl2, 0.1M NaCl, pH7.4, temperature 293K, VAPOR DIFFUSION, HANGING DROP
Resolution 1.80 Å R-free 0.202
3FQW Phosphorylation of self-peptides alters Human Leukocyte Antigen Class I-restricted antigen presentation and generates tumor specific epitopes Deposited 2009-01-07 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 22–119（98 aa）
Not recorded CD CADMIUM ION × 5 CO COBALT (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；13% PEG3350, 10mM CdCl2, 10mM CoCl2, 0.1M NaCl, pH7.4, temperature 293K, VAPOR DIFFUSION, HANGING DROP
Resolution 1.93 Å R-free 0.196
3FQX Phosphorylation of self-peptides alters Human Leukocyte Antigen Class I-restricted antigen presentation and generates tumor specific epitopes Deposited 2009-01-07 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 22–119（98 aa）
Not recorded CD CADMIUM ION × 5 MG MAGNESIUM ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；13% PEG3350, 5mM CdCl2, 5mM MgCl2, 0.1M NaCl, pH7.4, temperature 293K, VAPOR DIFFUSION, HANGING DROP
Resolution 1.70 Å R-free 0.197
3FT2 Crystal Structure of a citrulline peptide variant of the minor histocompatibility peptide HA-1 in complex with HLA-A2 Deposited 2009-01-12 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；12-15% w/v PEG 6000, 0.1 M NaCl and 0.1 M tri-sodium-citrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.218
3FT3 Crystal Structure of the minor histocompatibility peptide HA-1His in complex with HLA-A2 Deposited 2009-01-12 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；12-15% w/v PEG 6000, 0.1 M NaCl and 0.1 M tri-sodium-citrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.95 Å R-free 0.231
3FT4 Crystal Structure of the minor histocompatibility peptide HA-1Arg in complex with HLA-A2 Deposited 2009-01-12 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；12-15% w/v PEG 6000, 0.1 M NaCl and 0.1 M tri-sodium-citrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.90 Å R-free 0.224
3GIV Antigen processing influences HIV-specific cytotoxic T lymphocyte immunodominance Deposited 2009-03-06 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.238
3GIV Antigen processing influences HIV-specific cytotoxic T lymphocyte immunodominance Deposited 2009-03-06 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.238
3GJF Rational development of high-affinity T-cell receptor-like antibodies Deposited 2009-03-08 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å R-free 0.251
3GJF Rational development of high-affinity T-cell receptor-like antibodies Deposited 2009-03-08 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å R-free 0.251
3GSN Crystal structure of the public RA14 TCR in complex with the HCMV dominant NLV/HLA-A2 epitope Deposited 2009-03-27 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；18-24% PEG 3350, 0.3M LiSO4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.80 Å R-free 0.290
3GSO Crystal structure of the binary complex between HLA-A2 and HCMV NLV peptide Deposited 2009-03-27 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；9-20% PEG 6000, 0.1M tri-Na Citrate, 0-0.1M NaCl, pH 6.5, vapor diffusion, hanging drop, temperature 293K
Resolution 1.60 Å R-free 0.229
3GSQ Crystal structure of the binary complex between HLA-A2 and HCMV NLV-M5S peptide variant Deposited 2009-03-27 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；9-20% PEG 6000, 0.1M tri-Na Citrate, 0-0.1M NaCl, pH 6.5, vapor diffusion, hanging drop, temperature 293K
Resolution 2.12 Å R-free 0.246
3GSR Crystal structure of the binary complex between HLA-A2 and HCMV NLV-M5V peptide variant Deposited 2009-03-27 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；9-20% PEG 6000, 0.1M tri-Na Citrate, 0-0.1M NaCl, pH 6.5, vapor diffusion, hanging drop, temperature 293K
Resolution 1.95 Å R-free 0.226
3GSU Crystal structure of the binary complex between HLA-A2 and HCMV NLV-M5T peptide variant Deposited 2009-03-27 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；9-20% PEG 6000, 0.1M tri-Na Citrate, 0-0.1M NaCl, pH 6.5, vapor diffusion, hanging drop, temperature 293K
Resolution 1.80 Å R-free 0.242
3GSV Crystal structure of the binary complex between HLA-A2 and HCMV NLV-M5Q peptide variant Deposited 2009-03-27 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；9-20% PEG 6000, 0.1M tri-Na Citrate, 0-0.1M NaCl, pH 6.5, vapor diffusion, hanging drop, temperature 293K
Resolution 1.90 Å R-free 0.242
3GSW Crystal structure of the binary complex between HLA-A2 and HCMV NLV-T8A peptide variant Deposited 2009-03-27 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；9-20% PEG 6000, 0.1M tri-Na Citrate, 0-0.1M NaCl, pH 6.5, vapor diffusion, hanging drop, temperature 293K
Resolution 1.81 Å R-free 0.227
3GSX Crystal structure of the binary complex between HLA-A2 and HCMV NLV-T8V peptide variant Deposited 2009-03-27 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；9-20% PEG 6000, 0.1M tri-Na Citrate, 0-0.1M NaCl, pH 6.5, vapor diffusion, hanging drop, temperature 293K
Resolution 2.10 Å R-free 0.247
3H7B Human Class I MHC HLA-A2 in complex with the Tel1p peptide Deposited 2009-04-24 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaCl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.88 Å R-free 0.242
3H7B Human Class I MHC HLA-A2 in complex with the Tel1p peptide Deposited 2009-04-24 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaCl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.88 Å R-free 0.242
3H9H Human Class I MHC HLA-A2(A150P) in complex with the Tel1p peptide Deposited 2009-04-30 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaF 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.00 Å R-free 0.226
3H9H Human Class I MHC HLA-A2(A150P) in complex with the Tel1p peptide Deposited 2009-04-30 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaF 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.00 Å R-free 0.226
3H9S The complex between TCR A6 and human Class I MHC HLA-A2 with the bound Tel1p peptide Deposited 2009-04-30 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；297 K；PEG4000 15%, TRIS 0.1M, MgCl2 0.2M, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.70 Å R-free 0.289
3HAE Rational development of high-affinity T-cell receptor-like antibodies Deposited 2009-05-01 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.9；294 K；12% PEG 8000, 50mM Mes, pH 6.9, VAPOR DIFFUSION, temperature 294K
Resolution 2.90 Å R-free 0.283
3HAE Rational development of high-affinity T-cell receptor-like antibodies Deposited 2009-05-01 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.9；294 K；12% PEG 8000, 50mM Mes, pH 6.9, VAPOR DIFFUSION, temperature 294K
Resolution 2.90 Å R-free 0.283
3HAE Rational development of high-affinity T-cell receptor-like antibodies Deposited 2009-05-01 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain K 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.9；294 K；12% PEG 8000, 50mM Mes, pH 6.9, VAPOR DIFFUSION, temperature 294K
Resolution 2.90 Å R-free 0.283
3HAE Rational development of high-affinity T-cell receptor-like antibodies Deposited 2009-05-01 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain Q 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.9；294 K；12% PEG 8000, 50mM Mes, pH 6.9, VAPOR DIFFUSION, temperature 294K
Resolution 2.90 Å R-free 0.283
3HCV Crystal structure of HLA-B*2709 complexed with the double citrullinated vasoactive intestinal peptide type 1 receptor (VIPR) peptide (residues 400-408) Deposited 2009-05-06 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；0.1M TRIS HCL,25% PEG 8000, , pH 8.000000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.95 Å R-free 0.245
3HG1 Germline-governed recognition of a cancer epitope by an immunodominant human T cell receptor Deposited 2009-05-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：Residues 21-119
Not recorded GOL GLYCEROL × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；293 K；23% PEG 550 MME, 0.1M TRIS, 15% Glycerol, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.00 Å R-free 0.304
3HLA HUMAN CLASS I HISTOCOMPATIBILITY ANTIGEN A2.1 Deposited 1989-10-06 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.60 Å
3HPJ Human Class I MHC HLA-A2 in complex with the WT-1 (126-134) peptide Deposited 2009-06-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：residues 21-119
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaCl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.00 Å R-free 0.236
3HPJ Human Class I MHC HLA-A2 in complex with the WT-1 (126-134) peptide Deposited 2009-06-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：residues 21-119
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaCl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.00 Å R-free 0.236
3HUJ Crystal structure of human CD1d-alpha-Galactosylceramide in complex with semi-invariant NKT cell receptor Deposited 2009-06-14 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 AGH N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；291 K；0.1M Tris-HCl, 0.2M magnesium chloride, 12% PEG 10000, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.50 Å R-free 0.279
3HUJ Crystal structure of human CD1d-alpha-Galactosylceramide in complex with semi-invariant NKT cell receptor Deposited 2009-06-14 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 AGH N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；291 K；0.1M Tris-HCl, 0.2M magnesium chloride, 12% PEG 10000, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.50 Å R-free 0.279
3I6G Newly identified epitope Mn2 from SARS-CoV M protein complexed withHLA-A*0201 Deposited 2009-07-07 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；0.1M Ammonium acetate, 0.1M BIS-TRIS, pH6.0, 13-17% Polyethylene glycol 10,000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.20 Å R-free 0.246
3I6G Newly identified epitope Mn2 from SARS-CoV M protein complexed withHLA-A*0201 Deposited 2009-07-07 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；0.1M Ammonium acetate, 0.1M BIS-TRIS, pH6.0, 13-17% Polyethylene glycol 10,000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.20 Å R-free 0.246
3I6K Newly identified epitope from SARS-CoV membrane protein complexed with HLA-A*0201 Deposited 2009-07-07 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.1M BIS-TRIS pH 5.5, 10% w/v Polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.80 Å R-free 0.243
3I6K Newly identified epitope from SARS-CoV membrane protein complexed with HLA-A*0201 Deposited 2009-07-07 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.1M BIS-TRIS pH 5.5, 10% w/v Polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.80 Å R-free 0.243
3I6L Newly identified epitope N1 derived from SARS-CoV N protein complexed with HLA-A*2402 Deposited 2009-07-07 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.9；277 K；0.2M Ammonium sulfate, 0.1M Tris pH 8.9, 25% w/v Polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.40 Å R-free 0.284
3IB4 The double mutant of Beta-2 microglobulin K58P-W60G Deposited 2009-07-15 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Mutation：K58P, W60G Non-standard monomer：Yes (specific site not provided by mmCIF) PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M NaAcetate, 0.2M CH3COONH4, 20% Glycerol, 22% PEG 4000, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.25 Å R-free 0.181
3IXA Human Class I MHC HLA-A2(A150P) in complex with the Tax peptide Deposited 2009-09-03 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaF 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.10 Å R-free 0.230
3IXA Human Class I MHC HLA-A2(A150P) in complex with the Tax peptide Deposited 2009-09-03 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaF 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.10 Å R-free 0.230
3JTS GY9-Mamu-A*02-hb2m Deposited 2009-09-14 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–119（119 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；(i) 0.1M Tris-HCl pH 5.5, 0.12M ammonium sulfate, 38% polyethene glycol monomethyl ether 20000; (ii) 0.1M MES pH 6.5, 0.32M ammonium sulfate, 38% polyethene glycol monomethyl ether 20 000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.80 Å R-free 0.248
3JTS GY9-Mamu-A*02-hb2m Deposited 2009-09-14 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 1–119（119 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；(i) 0.1M Tris-HCl pH 5.5, 0.12M ammonium sulfate, 38% polyethene glycol monomethyl ether 20000; (ii) 0.1M MES pH 6.5, 0.32M ammonium sulfate, 38% polyethene glycol monomethyl ether 20 000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.80 Å R-free 0.248
3JTS GY9-Mamu-A*02-hb2m Deposited 2009-09-14 Different construct Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 1–119（119 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；(i) 0.1M Tris-HCl pH 5.5, 0.12M ammonium sulfate, 38% polyethene glycol monomethyl ether 20000; (ii) 0.1M MES pH 6.5, 0.32M ammonium sulfate, 38% polyethene glycol monomethyl ether 20 000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.80 Å R-free 0.248
3KLA Ca2+ release from the endoplasmic reticulum of NY-ESO-1 specific T cells is modulated by the affinity of T cell receptor and by the use of the CD8 co-receptor Deposited 2009-11-07 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：beta-2-microglobulin
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；294 K；16% PEG 8K, 20mM MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 1.65 Å R-free 0.239
3KLA Ca2+ release from the endoplasmic reticulum of NY-ESO-1 specific T cells is modulated by the affinity of T cell receptor and by the use of the CD8 co-receptor Deposited 2009-11-07 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：beta-2-microglobulin
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；294 K；16% PEG 8K, 20mM MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 1.65 Å R-free 0.239
3KPL Crystal Structure of HLA B*4402 in complex with EEYLQAFTY a self peptide from the ABCD3 protein Deposited 2009-11-16 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.2M ammonium acetate, 20-28% PEG 4000, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 1.96 Å R-free 0.253
3KPM Crystal Structure of HLA B*4402 in complex with EEYLKAWTF, a mimotope Deposited 2009-11-16 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.2M ammonium acetate, 20-28% PEG 4000, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 1.60 Å R-free 0.241
3KPN Crystal Structure of HLA B*4403 in complex with EEYLQAFTY a self peptide from the ABCD3 protein Deposited 2009-11-16 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.2M ammonium acetate, 20-28% PEG 4000, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 2.00 Å R-free 0.244
3KPO Crystal Structure of HLA B*4403 in complex with EEYLKAWTF, a mimotope Deposited 2009-11-16 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.2M ammonium acetate, 20-28% PEG 4000, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 2.30 Å R-free 0.263
3KPP Crystal Structure of HLA B*4405 in complex with EEYLQAFTY a self peptide from the ABCD3 protein Deposited 2009-11-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.2M ammonium acetate, 20-28% PEG 4000, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 1.90 Å R-free 0.230
3KPQ Crystal Structure of HLA B*4405 in complex with EEYLKAWTF, a mimotope Deposited 2009-11-16 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.2M ammonium acetate, 20-28% PEG 4000, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 1.84 Å R-free 0.269
3KPR Crystal Structure of the LC13 TCR in complex with HLA B*4405 bound to EEYLKAWTF a mimotope Deposited 2009-11-16 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.2M NaOAc, 12-18% PEG 4000, 0.1M Tris, pH 8.5, vapor diffusion, hanging drop, temperature 277K
Resolution 2.60 Å R-free 0.279
3KPR Crystal Structure of the LC13 TCR in complex with HLA B*4405 bound to EEYLKAWTF a mimotope Deposited 2009-11-16 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.2M NaOAc, 12-18% PEG 4000, 0.1M Tris, pH 8.5, vapor diffusion, hanging drop, temperature 277K
Resolution 2.60 Å R-free 0.279
3KPS Crystal Structure of the LC13 TCR in complex with HLA B*4405 bound to EEYLQAFTY a self peptide from the ABCD3 protein Deposited 2009-11-16 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.2M NaOAc, 12-18% PEG 4000, 0.1M Tris, pH 8.5, vapor diffusion, hanging drop, temperature 277K
Resolution 2.70 Å R-free 0.269
3KWW Crystal structure of the 'restriction triad' mutant of HLA B*3508, beta-2-microglobulin and EBV peptide Deposited 2009-12-01 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACY ACETIC ACID × 7 GOL GLYCEROL × 1 PEG DI(HYDROXYETHYL)ETHER × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.6；298 K；0.1M cacodlyate, 0.2M ammonium acetate, 18% PEG3350, pH 7.6, vapor diffusion, temperature 298K
Resolution 2.18 Å R-free 0.251
3KXF Crystal Structure of SB27 TCR in complex with the 'restriction triad' mutant HLA-B*3508-13mer Deposited 2009-12-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded IOD IODIDE ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.7；298 K；0.1M cacodlyate, 0.2M potassium iodide, 18% polyethylene glycol 3350, pH 6.7, vapor diffusion, temperature 298K
Resolution 3.10 Å R-free 0.291
3KXF Crystal Structure of SB27 TCR in complex with the 'restriction triad' mutant HLA-B*3508-13mer Deposited 2009-12-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain F 21–119（99 aa）
Not recorded IOD IODIDE ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.7；298 K；0.1M cacodlyate, 0.2M potassium iodide, 18% polyethylene glycol 3350, pH 6.7, vapor diffusion, temperature 298K
Resolution 3.10 Å R-free 0.291
3KXF Crystal Structure of SB27 TCR in complex with the 'restriction triad' mutant HLA-B*3508-13mer Deposited 2009-12-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa）
Not recorded IOD IODIDE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.7；298 K；0.1M cacodlyate, 0.2M potassium iodide, 18% polyethylene glycol 3350, pH 6.7, vapor diffusion, temperature 298K
Resolution 3.10 Å R-free 0.291
3KXF Crystal Structure of SB27 TCR in complex with the 'restriction triad' mutant HLA-B*3508-13mer Deposited 2009-12-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain J 21–119（99 aa）
Not recorded IOD IODIDE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.7；298 K；0.1M cacodlyate, 0.2M potassium iodide, 18% polyethylene glycol 3350, pH 6.7, vapor diffusion, temperature 298K
Resolution 3.10 Å R-free 0.291
3KYN Crystal structure of HLA-G presenting KGPPAALTL peptide Deposited 2009-12-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded CO COBALT (II) ION × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.8；277 K；18% PEG 3350, 0.2M potassium formate, 0.1M HEPES, 10mM cobalt chloride, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.40 Å R-free 0.299
3KYO Crystal structure of HLA-G presenting KLPAQFYIL peptide Deposited 2009-12-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded CO COBALT (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.8；277 K；16% PEG 3350, 0.2M potassium formate, 0.1M HEPES, 10mM cobalt chloride, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.70 Å R-free 0.226
3KYO Crystal structure of HLA-G presenting KLPAQFYIL peptide Deposited 2009-12-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded CO COBALT (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.8；277 K；16% PEG 3350, 0.2M potassium formate, 0.1M HEPES, 10mM cobalt chloride, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.70 Å R-free 0.226
3L3D Crystal structure of HLA-B*4402 in complex with the F3A mutant of a self-peptide derived from DPA*0201 Deposited 2009-12-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M tri-sodium citrate dihydrate, 12-30% PEG 4000, 0.2M ammonium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.231
3L3G Crystal structure of HLA-B*4402 in complex with the R5A mutant of a self-peptide derived from DPA*0201 Deposited 2009-12-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 2 GOL GLYCEROL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M tri-sodium citrate dihydrate, 12-30% PEG 4000, 0.2M ammonium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.264
3L3I Crystal structure of HLA-B*4402 in complex with the F7A mutant of a self-peptide derived from DPA*0201 Deposited 2009-12-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M tri-sodium citrate dihydrate, 12-30% PEG 4000, 0.2M ammonium acetate , pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.70 Å R-free 0.242
3L3J Crystal structure of HLA-B*4402 in complex with the F3A/R5A double mutant of a self-peptide derived from DPA*0201 Deposited 2009-12-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M tri-sodium citrate dihydrate, 12-30% PEG 4000, 0.2M ammonium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.40 Å R-free 0.289
3L3K Crystal structure of HLA-B*4402 in complex with the R5A/F7A double mutant of a self-peptide derived from DPA*0201 Deposited 2009-12-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M tri-sodium citrate dihydrate, 12-30% PEG 4000, 0.2M ammonium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.60 Å R-free 0.275
3LKN Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 1918 strain Deposited 2010-01-27 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；15-25% PEG 4000, 0.2M NH4Acetate, 0.1M Na-Citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 2.00 Å R-free 0.252
3LKO Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 1934 strain Deposited 2010-01-27 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；15-25% PEG 4000, 0.2M NH4Acetate, 0.1M Na-Citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 1.80 Å R-free 0.238
3LKP Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 1972 strain Deposited 2010-01-27 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；15-25% PEG 4000, 0.2M NH4Acetate, 0.1M Na-Citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 1.80 Å R-free 0.244
3LKQ Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 1977 strain Deposited 2010-01-27 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；15-25% PEG 4000, 0.2M NH4Acetate, 0.1M Na-Citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 1.80 Å R-free 0.230
3LKR Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 2009 H1N1 swine origin strain Deposited 2010-01-27 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；15-25% PEG 4000, 0.2M NH4Acetate, 0.1M Na-Citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 2.00 Å R-free 0.266
3LKS Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 1980 strain Deposited 2010-01-27 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；15-25% PEG 4000, 0.2M NH4Acetate, 0.1M Na-Citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 1.90 Å R-free 0.260
3LN4 Crystal structure of HLA-B*4103 in complex with a 16mer self-peptide derived from heterogeneous nuclear ribonucleoproteins C1/C2 Deposited 2010-02-01 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；294 K；0.1M citrate pH 5.6, 14-20% PEG 4000, 0.2M NH4OAc, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 1.30 Å R-free 0.177
3LN5 Crystal structure of HLA-B*4104 in complex with a 11mer self-peptide derived from S-methyl-5-thioadenosine phosphorylase Deposited 2010-02-02 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；294 K；0.1M citrate pH 5.6, 14-20% PEG 4000, 0.2M NH4OAc, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 1.90 Å R-free 0.241
3LOW Crystal structure of Beta 2 Microglobulin domain-swapped dimer Deposited 2010-02-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 21–119（99 aa）
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å R-free 0.266
3LOZ Crystal structure of Beta 2 Microglobulin amyloidogenic segment LSFSKD Deposited 2010-02-04 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric
Chain A 74–79（6 aa）
Chain B 74–79（6 aa）
Chain C 74–79（6 aa）
Chain D 74–79（6 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.80 Å R-free 0.241
3LV3 Crystal structure of HLA-B*2705 complexed with a peptide derived from the human voltage-dependent calcium channel alpha1 subunit (residues 513-521) Deposited 2010-02-19 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；20%(w/v) PEG 8000, 150mM NaCl, 20mM Tris-HCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.94 Å R-free 0.224
3M17 Crystal structure of human FcRn with a monomeric peptide inhibitor Deposited 2010-03-04 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；277 K；2uL protein:peptide with 2ul solution of 100mM sodium phosphate/citric acid, 20% PEG 3350, 8% ethanol, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.60 Å R-free 0.325
3M17 Crystal structure of human FcRn with a monomeric peptide inhibitor Deposited 2010-03-04 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；277 K；2uL protein:peptide with 2ul solution of 100mM sodium phosphate/citric acid, 20% PEG 3350, 8% ethanol, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.60 Å R-free 0.325
3M17 Crystal structure of human FcRn with a monomeric peptide inhibitor Deposited 2010-03-04 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；277 K；2uL protein:peptide with 2ul solution of 100mM sodium phosphate/citric acid, 20% PEG 3350, 8% ethanol, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.60 Å R-free 0.325
3M17 Crystal structure of human FcRn with a monomeric peptide inhibitor Deposited 2010-03-04 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain H 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；277 K；2uL protein:peptide with 2ul solution of 100mM sodium phosphate/citric acid, 20% PEG 3350, 8% ethanol, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.60 Å R-free 0.325
3M1B Crystal structure of human FcRn with a dimeric peptide inhibitor Deposited 2010-03-04 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；294 K；2ul protein:peptide with 2ul buffer containing 100 mM phosphate/citric acid, 22% PEG 1000 and 8% ethanol , pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 3.10 Å R-free 0.397
3M1B Crystal structure of human FcRn with a dimeric peptide inhibitor Deposited 2010-03-04 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；294 K；2ul protein:peptide with 2ul buffer containing 100 mM phosphate/citric acid, 22% PEG 1000 and 8% ethanol , pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 3.10 Å R-free 0.397
3M1B Crystal structure of human FcRn with a dimeric peptide inhibitor Deposited 2010-03-04 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；294 K；2ul protein:peptide with 2ul buffer containing 100 mM phosphate/citric acid, 22% PEG 1000 and 8% ethanol , pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 3.10 Å R-free 0.397
3M1B Crystal structure of human FcRn with a dimeric peptide inhibitor Deposited 2010-03-04 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain H 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；294 K；2ul protein:peptide with 2ul buffer containing 100 mM phosphate/citric acid, 22% PEG 1000 and 8% ethanol , pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 3.10 Å R-free 0.397
3MGO Crystal structure of a H5-specific CTL epitope derived from H5N1 influenza virus in complex with HLA-A*0201 Deposited 2010-04-07 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；25mM MES(pH 6.5), 16% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.30 Å R-free 0.247
3MGO Crystal structure of a H5-specific CTL epitope derived from H5N1 influenza virus in complex with HLA-A*0201 Deposited 2010-04-07 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；25mM MES(pH 6.5), 16% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.30 Å R-free 0.247
3MGO Crystal structure of a H5-specific CTL epitope derived from H5N1 influenza virus in complex with HLA-A*0201 Deposited 2010-04-07 Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；25mM MES(pH 6.5), 16% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.30 Å R-free 0.247
3MGO Crystal structure of a H5-specific CTL epitope derived from H5N1 influenza virus in complex with HLA-A*0201 Deposited 2010-04-07 Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain K 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；25mM MES(pH 6.5), 16% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.30 Å R-free 0.247
3MGT Crystal structure of a H5-specific CTL epitope variant derived from H5N1 influenza virus in complex with HLA-A*0201 Deposited 2010-04-07 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；25mM MES(pH 6.5), 16% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.20 Å R-free 0.237
3MGT Crystal structure of a H5-specific CTL epitope variant derived from H5N1 influenza virus in complex with HLA-A*0201 Deposited 2010-04-07 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；25mM MES(pH 6.5), 16% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.20 Å R-free 0.237
3MGT Crystal structure of a H5-specific CTL epitope variant derived from H5N1 influenza virus in complex with HLA-A*0201 Deposited 2010-04-07 Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；25mM MES(pH 6.5), 16% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.20 Å R-free 0.237
3MGT Crystal structure of a H5-specific CTL epitope variant derived from H5N1 influenza virus in complex with HLA-A*0201 Deposited 2010-04-07 Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain K 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；25mM MES(pH 6.5), 16% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.20 Å R-free 0.237
3MR9 Crystal Structure of MHC class I HLA-A2 molecule complexed with HCMV pp65-495-503 nonapeptide M5A variant Deposited 2010-04-29 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；12% PEG 6000, 0.1M NaCitrate, 0.15M NaCl, 3.5mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.93 Å R-free 0.266
3MRB Crystal Structure of MHC class I HLA-A2 molecule complexed with HCMV pp65-495-503 nonapeptide A7H variant Deposited 2010-04-29 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；12% PEG 6000, 0.1M NaCacodylate, 5mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.40 Å R-free 0.244
3MRC Crystal Structure of MHC class I HLA-A2 molecule complexed with HCMV pp65-495-503 nonapeptide V6C variant Deposited 2010-04-29 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；12% PEG 6000, 0.1M NaCitrate, 0.15M NaCl, 3.45mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.223
3MRD Crystal Structure of MHC class I HLA-A2 molecule complexed with HCMV pp65-495-503 nonapeptide V6G variant Deposited 2010-04-29 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10% PEG 6000, 0.1M MES, 5mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.70 Å R-free 0.226
3MRE Crystal Structure of MHC class I HLA-A2 molecule complexed with EBV bmlf1-280-288 nonapeptide Deposited 2010-04-29 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；15% PEG 6000, 0.1M NaCitrate, 0.1M NaCl, 5mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.10 Å R-free 0.204
3MRF Crystal Structure of MHC class I HLA-A2 molecule complexed with EBV bmlf1-280-288 nonapeptide T4P variant Deposited 2010-04-29 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；12% PEG 6000, 0.1M NaCacodylate, 0.1M NaCl, 7.5mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.30 Å R-free 0.257
3MRG Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide Deposited 2010-04-29 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；17% PEG 6000, 0.1M NaCitrate, 0.05M NaCl, 5mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.30 Å R-free 0.202
3MRH Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide N3S variant Deposited 2010-04-29 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；9% PEG 6000, 0.1M NaCitrate, 5mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.40 Å R-free 0.308
3MRI Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide G4M-V5W variant Deposited 2010-04-29 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；9% PEG 6000, 0.1M NaCitrate, 0.1M NaCl, 5mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.296
3MRJ Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide V5M variant Deposited 2010-04-29 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；13% PEG 6000, 0.1M NaCitrate, 0.05M NaCl, 2.84mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.87 Å R-free 0.230
3MRK Crystal Structure of MHC class I HLA-A2 molecule complexed with AFP137 nonapeptide Deposited 2010-04-29 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10% PEG 6000, 0.1M NaCitrate, 5mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.40 Å R-free 0.232
3MRL Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide C6V variant Deposited 2010-04-29 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；15% PEG 6000, 0.1M NaCitrate, 3.6mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.41 Å R-free 0.279
3MRM Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1406-1415 decapeptide Deposited 2010-04-29 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；18% PEG 6000, 0.1M NaCitrate, 0.02M NaCl, 5mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.90 Å R-free 0.250
3MRN Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS4b-1807-1816 decapeptide Deposited 2010-04-29 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；18% PEG 6000, 0.1M NaCitrate, 0.1M NaCl, 5mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.30 Å R-free 0.298
3MRO Crystal Structure of MHC class I HLA-A2 molecule complexed with Melan-A MART1 decapeptide variant Deposited 2010-04-29 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；12% PEG 6000, 0.1M NaCitrate, 0.1M NaCl, 3mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.35 Å R-free 0.279
3MRP Crystal Structure of MHC class I HLA-A2 molecule complexed with Melan-A MART1 decapeptide variant Deposited 2010-04-29 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；13% PEG 6000, 0.1M NaCitrate, 0.1M NaCl, 2.61mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.227
3MRQ Crystal Structure of MHC class I HLA-A2 molecule complexed with Melan-A MART1 decapeptide variant Deposited 2010-04-29 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；17% PEG 6000, 0.1M NaCitrate, 0.1M NaCl, 2.61mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.235
3MRR Crystal Structure of MHC class I HLA-A2 molecule complexed with Human Prostaglandin Transporter decapeptide Deposited 2010-04-29 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；15% PEG 6000, 0.1M NaCitrate, 0.1M NaCl, 3mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.60 Å R-free 0.224
3MV7 Crystal Structure of the TK3 TCR in complex with HLA-B*3501/HPVG Deposited 2010-05-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；15%PEG 3350, 0.2M LiSO4, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 2.00 Å R-free 0.286
3MV8 Crystal Structure of the TK3-Gln55His TCR in complex with HLA-B*3501/HPVG Deposited 2010-05-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；15%PEG 3350, 0.2M LiSO4, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 2.10 Å R-free 0.276
3MV9 Crystal Structure of the TK3-Gln55Ala TCR in complex with HLA-B*3501/HPVG Deposited 2010-05-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；15%PEG 3350, 0.2M LiSO4, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 2.70 Å R-free 0.331
3MYJ Human Class I MHC HLA-A2 in complex with the WT-1 (126-134) (R1Y) peptide variant. Deposited 2010-05-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：residues 21-119
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, KCl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.89 Å R-free 0.230
3MYJ Human Class I MHC HLA-A2 in complex with the WT-1 (126-134) (R1Y) peptide variant. Deposited 2010-05-10 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, KCl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.89 Å R-free 0.230
3MYZ Protein induced photophysical changes to the amyloid indicator dye, thioflavin T Deposited 2010-05-11 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Mutation：H13F HG MERCURY (II) ION × 1 TFX 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium × 2 TLA L(+)-TARTARIC ACID × 1 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；25% PEG 3350, 50mM diammonium tartrate, 5mM Thioflavin T, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 1.60 Å R-free 0.223
3MYZ Protein induced photophysical changes to the amyloid indicator dye, thioflavin T Deposited 2010-05-11 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 21–119（99 aa）
Mutation：H13F TFX 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；25% PEG 3350, 50mM diammonium tartrate, 5mM Thioflavin T, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 1.60 Å R-free 0.223
3MZT Protein-induced photophysical changes to the amyloid indicator dye, thioflavin T Deposited 2010-05-13 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Mutation：H13F CU COPPER (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；5mM ThT, 50mM diammonium tartrate, 22.5% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.70 Å R-free 0.256
3MZT Protein-induced photophysical changes to the amyloid indicator dye, thioflavin T Deposited 2010-05-13 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 21–119（99 aa）
Mutation：H13F CU COPPER (II) ION × 1 TFX 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；5mM ThT, 50mM diammonium tartrate, 22.5% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.70 Å R-free 0.256
3MZT Protein-induced photophysical changes to the amyloid indicator dye, thioflavin T Deposited 2010-05-13 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 21–119（99 aa）
Mutation：H13F CU COPPER (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；5mM ThT, 50mM diammonium tartrate, 22.5% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.70 Å R-free 0.256
3MZT Protein-induced photophysical changes to the amyloid indicator dye, thioflavin T Deposited 2010-05-13 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 21–119（99 aa）
Mutation：H13F CU COPPER (II) ION × 1 TFX 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；5mM ThT, 50mM diammonium tartrate, 22.5% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.70 Å R-free 0.256
3MZT Protein-induced photophysical changes to the amyloid indicator dye, thioflavin T Deposited 2010-05-13 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 21–119（99 aa）
Mutation：H13F CU COPPER (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；5mM ThT, 50mM diammonium tartrate, 22.5% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.70 Å R-free 0.256
3MZT Protein-induced photophysical changes to the amyloid indicator dye, thioflavin T Deposited 2010-05-13 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 21–119（99 aa）
Mutation：H13F CU COPPER (II) ION × 1 TFX 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；5mM ThT, 50mM diammonium tartrate, 22.5% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.70 Å R-free 0.256
3NA4 D53P beta-2 microglobulin mutant Deposited 2010-06-01 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Mutation：D53P Non-standard monomer：Yes (specific site not provided by mmCIF) PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；PEG 4000, Sodium Acetate, Glycerol, Ammonium Acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.90 Å R-free 0.269
3NFN Recognition of peptide-MHC by a V-delta/V-beta TCR Deposited 2010-06-10 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；288 K；0.1M MES monohydrate, pH 6.5, 12% w/v PEG 20000, VAPOR DIFFUSION, HANGING DROP, temperature 288K
Resolution 2.39 Å R-free 0.222
3O3A Human Class I MHC HLA-A2 in complex with the Peptidomimetic ELA-1 Deposited 2010-07-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, KCl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.80 Å R-free 0.212
3O3A Human Class I MHC HLA-A2 in complex with the Peptidomimetic ELA-1 Deposited 2010-07-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, KCl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.80 Å R-free 0.212
3O3B Human Class I MHC HLA-A2 in complex with the Peptidomimetic ELA-1.1 Deposited 2010-07-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, KCl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.90 Å R-free 0.238
3O3B Human Class I MHC HLA-A2 in complex with the Peptidomimetic ELA-1.1 Deposited 2010-07-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, KCl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.90 Å R-free 0.238
3O3D Human Class I MHC HLA-A2 in complex with the Peptidomimetic ELA-2 Deposited 2010-07-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, KCl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.70 Å R-free 0.219
3O3D Human Class I MHC HLA-A2 in complex with the Peptidomimetic ELA-2 Deposited 2010-07-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, KCl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.70 Å R-free 0.219
3O3E Human Class I MHC HLA-A2 in complex with the Peptidomimetic ELA-2.1 Deposited 2010-07-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaF 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.85 Å R-free 0.230
3O3E Human Class I MHC HLA-A2 in complex with the Peptidomimetic ELA-2.1 Deposited 2010-07-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaF 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.85 Å R-free 0.230
3O4L Genetic and structural basis for selection of a ubiquitous T cell receptor deployed in Epstein-Barr virus Deposited 2010-07-27 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Mutation：K111C GOL GLYCEROL × 11 SO4 SULFATE ION × 7 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；0.16 M Ca Acetate, 0.08 M Na Cacodylate, 12.5% PEG 8000, 20% Glycerol, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.54 Å R-free 0.296
3OV6 CD1c in complex with MPM (mannosyl-beta1-phosphomycoketide) Deposited 2010-09-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa） Fragment：beta-2-microglobulin
Mutation：C-terminal fusion to CD1c ectodomain, N52Q, N57Q, K108G, N128Q, N241Q, W242G, CD1c a3 domain replaced with CD1b a3 domain NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 D12 DODECANE × 1 MK0 1-O-[(S)-hydroxy{[(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-beta-D-mannopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.45；291 K；0.1M CHES pH 9.45, 1.05M sodium citrate, 25 mM triglycine, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.50 Å R-free 0.273
3OX8 Crystal Structure of HLA A*02:03 Bound to HBV Core 18-27 Deposited 2010-09-21 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1M HEPSE pH7.5, 1.4M sodium citrate tribasic dihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.16 Å R-free 0.234
3OX8 Crystal Structure of HLA A*02:03 Bound to HBV Core 18-27 Deposited 2010-09-21 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1M HEPSE pH7.5, 1.4M sodium citrate tribasic dihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.16 Å R-free 0.234
3OXR Crystal Structure of HLA A*02:06 Bound to HBV Core 18-27 Deposited 2010-09-21 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1M HEPES pH 7.5, 10% w/v Polyethylene glycol 6,000, 5% v/v (+/-)-2-Methyl-2,4-pentanediol, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.214
3OXS Crystal Structure of HLA A*02:07 Bound to HBV Core 18-27 Deposited 2010-09-22 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；0.1M sodium acetate tridydrate pH 4.6, 8% w/v polyethylene 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.75 Å R-free 0.207
3PWJ Human Class I MHC HLA-A2 in complex with the HuD (G2L,I9V) peptide variant Deposited 2010-12-08 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaCl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.70 Å R-free 0.215
3PWJ Human Class I MHC HLA-A2 in complex with the HuD (G2L,I9V) peptide variant Deposited 2010-12-08 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaCl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.70 Å R-free 0.215
3PWL Human Class I MHC HLA-A2 in complex with the HuD peptide Deposited 2010-12-08 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaCl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.65 Å R-free 0.195
3PWL Human Class I MHC HLA-A2 in complex with the HuD peptide Deposited 2010-12-08 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaCl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.65 Å R-free 0.195
3PWN Human Class I MHC HLA-A2 in complex with the HuD (G2L) peptide variant Deposited 2010-12-08 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaCl 0.1M, pH 6.5, vapor diffusion, sitting drop, temperature 277K
Resolution 1.60 Å R-free 0.214
3PWN Human Class I MHC HLA-A2 in complex with the HuD (G2L) peptide variant Deposited 2010-12-08 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaCl 0.1M, pH 6.5, vapor diffusion, sitting drop, temperature 277K
Resolution 1.60 Å R-free 0.214
3PWP The complex between TCR A6 and human Class I MHC HLA-A2 with the bound HuD peptide Deposited 2010-12-08 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 7 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；30% PEG3350, 0.1M TRIS, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.69 Å R-free 0.259
3QDA Crystal structure of W95L beta-2 microglobulin Deposited 2011-01-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa） Fragment：Form pI 5.3 (UNP residues 21-119)
Mutation：W95L PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；19-20% PEG4000, 20% glycerol, 0.2 M ammonium acetate, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.57 Å R-free 0.198
3QDG The complex between TCR DMF5 and human Class I MHC HLA-A2 with the bound MART-1(26-35)(A27L) peptide Deposited 2011-01-18 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；297 K；PEG 30%, TRIS 0.1M, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.69 Å R-free 0.278
3QDJ The complex between TCR DMF5 and human Class I MHC HLA-A2 with the bound MART-1(27-35) nonameric peptide Deposited 2011-01-18 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；297 K；PEG 24%, TRIS 0.1M, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.30 Å R-free 0.299
3QDM The complex between TCR DMF4 and human Class I MHC HLA-A2 with the bound MART-1(26-35)(A27L) decameric peptide Deposited 2011-01-18 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；297 K；PEG 24%, TRIS 0.1, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.80 Å R-free 0.284
3QEQ The complex between TCR DMF4 and human Class I MHC HLA-A2 with the bound MART-1(27-35) nonameric peptide Deposited 2011-01-20 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；297 K；PEG 24%, TRIS 0.1M, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.59 Å R-free 0.269
3QFD Human Class I MHC HLA-A2 in complex with Mart-1(27-35) nonameric peptide Deposited 2011-01-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaCl 0.1M, pH 6.5, vapor diffusion, sitting drop, temperature 277K
Resolution 1.68 Å R-free 0.211
3QFD Human Class I MHC HLA-A2 in complex with Mart-1(27-35) nonameric peptide Deposited 2011-01-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaCl 0.1M, pH 6.5, vapor diffusion, sitting drop, temperature 277K
Resolution 1.68 Å R-free 0.211
3QFJ The complex between TCR A6 and human Class I MHC HLA-A2 with the modified TAX (Y5F) peptide Deposited 2011-01-21 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 11 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；297 K；PEG 24%, TRIS 0.1 M, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.29 Å R-free 0.271
3QZW Plasticity of human CD8 binding to peptide-HLA-A*2402 Deposited 2011-03-07 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；288 K；0.1M MES monohydrate, pH 6.5, 12% w/v PEG 20000, VAPOR DIFFUSION, HANGING DROP, temperature 288K
Resolution 2.80 Å R-free 0.260
3QZW Plasticity of human CD8 binding to peptide-HLA-A*2402 Deposited 2011-03-07 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；288 K；0.1M MES monohydrate, pH 6.5, 12% w/v PEG 20000, VAPOR DIFFUSION, HANGING DROP, temperature 288K
Resolution 2.80 Å R-free 0.260
3REW Crystal structure of an lmp2a-derived peptide bound to human class i mhc hla-a2 Deposited 2011-04-05 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded IOD IODIDE ION × 5 EDO 1,2-ETHANEDIOL × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；22% PEG 3350, 0.2M AMMONIUM IODIDE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K
Resolution 1.90 Å R-free 0.239
3REW Crystal structure of an lmp2a-derived peptide bound to human class i mhc hla-a2 Deposited 2011-04-05 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded IOD IODIDE ION × 3 CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；22% PEG 3350, 0.2M AMMONIUM IODIDE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K
Resolution 1.90 Å R-free 0.239
3RL1 HIV RT derived peptide complexed to HLA-A*0301 Deposited 2011-04-19 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.00 Å R-free 0.222
3RL2 HIV Nef derived peptide Nef73 complexed to HLA-A*0301 Deposited 2011-04-19 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.2M calcium acetate hydrate, 0.1M Sodium cacodylate trihydrate, 18%(w/v) Polyethylene glycol 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.39 Å R-free 0.265
3RWJ Rhesus macaque MHC class I molecule Mamu-B*17-HW8 Deposited 2011-05-09 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.70 Å R-free 0.256
3S6C Structure of human CD1e Deposited 2011-05-25 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa） Fragment：P61769 residues 21-119, P15812 residues 32-303
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 3.6；293 K；10% PEG 6000, 0.2 M Sodium malonate, 0.1 M magnesium valerate, 0.1 M sodium borate , pH 3.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.90 Å R-free 0.296
3SDX Crystal structure of human autoreactive-Valpha24 NKT TCR in complex with CD1d-beta-galactosylceramide Deposited 2011-06-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GCY N-[(2S,3R)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；30% PEG 400, 0.1M Tris, 0.1M MgCl2, pH 8.5, vapor diffusion, hanging drop, temperature 293K
Resolution 3.12 Å R-free 0.273
3SDX Crystal structure of human autoreactive-Valpha24 NKT TCR in complex with CD1d-beta-galactosylceramide Deposited 2011-06-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GCY N-[(2S,3R)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；30% PEG 400, 0.1M Tris, 0.1M MgCl2, pH 8.5, vapor diffusion, hanging drop, temperature 293K
Resolution 3.12 Å R-free 0.273
3SJV Crystal structure of the RL42 TCR in complex with HLA-B8-FLR Deposited 2011-06-22 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.2M ammonium tartrate, 14% PEG 3350, 7% ethylene glycol, pH 8, vapor diffusion, hanging drop, temperature 277K
Resolution 3.10 Å R-free 0.321
3SJV Crystal structure of the RL42 TCR in complex with HLA-B8-FLR Deposited 2011-06-22 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.2M ammonium tartrate, 14% PEG 3350, 7% ethylene glycol, pH 8, vapor diffusion, hanging drop, temperature 277K
Resolution 3.10 Å R-free 0.321
3SJV Crystal structure of the RL42 TCR in complex with HLA-B8-FLR Deposited 2011-06-22 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.2M ammonium tartrate, 14% PEG 3350, 7% ethylene glycol, pH 8, vapor diffusion, hanging drop, temperature 277K
Resolution 3.10 Å R-free 0.321
3SJV Crystal structure of the RL42 TCR in complex with HLA-B8-FLR Deposited 2011-06-22 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain Q 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.2M ammonium tartrate, 14% PEG 3350, 7% ethylene glycol, pH 8, vapor diffusion, hanging drop, temperature 277K
Resolution 3.10 Å R-free 0.321
3SKM Crystal structure of the HLA-B8FLRGRAYVL, mutant G8V of the FLR peptide Deposited 2011-06-22 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.2M ammonium acetate, 20% PEG 4000, 0.1M tri-Na citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 1.80 Å R-free 0.212
3SKO Crystal structure of the HLA-B8-A66-FLR, mutant A66 of the HLA B8 Deposited 2011-06-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.2M ammonium acetate, 20% PEG 4000, 0.1M tri-Na citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 1.60 Å R-free 0.234
3SPV Crystal structure of a peptide-HLA complex Deposited 2011-07-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.6；298 K；15-20% PEG 4000, 0.2M ammonium acetate, 0.1M Na-Citrate, pH 5.6, vapor diffusion, temperature 298K
Resolution 1.30 Å R-free 0.219
3T8X Crystal structure of human CD1b in complex with synthetic antigenic diacylsulfoglycolipid SGL12 and endogenous spacer Deposited 2011-08-02 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 ACT ACETATE ION × 1 T8X 2-O-sulfo-alpha-D-glucopyranosyl 2-O-hexadecanoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-D-glucopyranoside × 1 ULI tetracontane × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；293 K；1.9 M Ammonium sulfate, 0.2 M Ammonium acetate, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.90 Å R-free 0.211
3T8X Crystal structure of human CD1b in complex with synthetic antigenic diacylsulfoglycolipid SGL12 and endogenous spacer Deposited 2011-08-02 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 21–119（99 aa）
Not recorded SO4 SULFATE ION × 4 T8X 2-O-sulfo-alpha-D-glucopyranosyl 2-O-hexadecanoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-D-glucopyranoside × 1 ULI tetracontane × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；293 K；1.9 M Ammonium sulfate, 0.2 M Ammonium acetate, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.90 Å R-free 0.211
3TID Crystal structure of the LCMV derived peptide GP34 in complex with the murine mhc class I H-2 Kb Deposited 2011-08-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded ACT ACETATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；PEG 8K, Cacodylate, Magnesium Acetate, DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.65 Å R-free 0.192
3TIE Crystal structure of the vaccinia derived peptide A11R in complex with the murine MHC CLASS I H-2 KB Deposited 2011-08-20 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG 8K, Cacodylate, Magnesium Acetate, DTT, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.25 Å R-free 0.219
3TIE Crystal structure of the vaccinia derived peptide A11R in complex with the murine MHC CLASS I H-2 KB Deposited 2011-08-20 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG 8K, Cacodylate, Magnesium Acetate, DTT, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.25 Å R-free 0.219
3TLR Crystal Structure of the tetrameric Beta-2 microglobulin DIMC20 mutant Deposited 2011-08-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 21–119（99 aa）
Chain B 21–119（99 aa）
Chain C 21–119（99 aa）
Chain D 21–119（99 aa）
Mutation：S20C Mutation：S20C Mutation：S20C Mutation：S20C CD CADMIUM ION × 10 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.7；293 K；Hepes 0.1 M pH 7.7, CdSO4 0.12 M, sodium acetate 2.4 M, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.45 Å R-free 0.266
3TM6 Crystal structure of the beta-2 microglobulin DIMC50 disulphide-linked homodimer mutant Deposited 2011-08-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 21–119（99 aa） Fragment：Full-length Beta-2 microglobulin
Chain B 21–119（99 aa） Fragment：Full-length Beta-2 microglobulin
Chain C 21–119（99 aa） Fragment：Full-length Beta-2 microglobulin
Chain D 21–119（99 aa） Fragment：Full-length Beta-2 microglobulin
Mutation：E50C Mutation：E50C Mutation：E50C Mutation：E50C PEG DI(HYDROXYETHYL)ETHER × 3 PO4 PHOSPHATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；imidazole-malate 0.2 M, pH 5.5, PEG 600 24%, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.70 Å R-free 0.263
3TM6 Crystal structure of the beta-2 microglobulin DIMC50 disulphide-linked homodimer mutant Deposited 2011-08-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain E 21–119（99 aa） Fragment：Full-length Beta-2 microglobulin
Chain F 21–119（99 aa） Fragment：Full-length Beta-2 microglobulin
Chain G 21–119（99 aa） Fragment：Full-length Beta-2 microglobulin
Chain H 21–119（99 aa） Fragment：Full-length Beta-2 microglobulin
Mutation：E50C Mutation：E50C Mutation：E50C Mutation：E50C PEG DI(HYDROXYETHYL)ETHER × 2 PO4 PHOSPHATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；imidazole-malate 0.2 M, pH 5.5, PEG 600 24%, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.70 Å R-free 0.263
3TO2 Structure of HLA-A*0201 complexed with peptide Md3-C9 derived from a clustering region of restricted cytotoxic T lymphocyte epitope from SARS-CoV M protein Deposited 2011-09-03 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1M Ammonium acetate, 0.1M BIS-Tris pH6.5, 17% polyethylene glycol 10000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.60 Å R-free 0.230
3TZV Crystal structure of an iNKT TCR in complex with CD1d-lysophosphatidylcholine Deposited 2011-09-27 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa）
Not recorded LSC (4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide × 1 HEX HEXANE × 1 D12 DODECANE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1 M Hepes, 17% PEG 4000, 0.1 MgCl2, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 3.06 Å R-free 0.288
3U0P Crystal structure of human CD1d-lysophosphatidylcholine Deposited 2011-09-28 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded LSC (4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide × 1 HEX HEXANE × 1 SO4 SULFATE ION × 3 GOL GLYCEROL × 4 UND UNDECANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；0.1 M Tris-HCl, 2.0 M Ammonium Sulfate, 0.03 M glycyl-glycyl-glycine, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.80 Å R-free 0.259
3U0P Crystal structure of human CD1d-lysophosphatidylcholine Deposited 2011-09-28 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 21–119（99 aa）
Not recorded LSC (4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide × 1 SO4 SULFATE ION × 7 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；0.1 M Tris-HCl, 2.0 M Ammonium Sulfate, 0.03 M glycyl-glycyl-glycine, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.80 Å R-free 0.259
3U0P Crystal structure of human CD1d-lysophosphatidylcholine Deposited 2011-09-28 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 NBU N-BUTANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；0.1 M Tris-HCl, 2.0 M Ammonium Sulfate, 0.03 M glycyl-glycyl-glycine, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.80 Å R-free 0.259
3UPR HLA-B*57:01 complexed to pep-V and Abacavir Deposited 2011-11-18 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded 1KX {(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；289 K；0.1M NaCacodylate, 0.1MNaAcetate, 25%PEG 8,000, 15% Glycerol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 2.00 Å R-free 0.228
3UPR HLA-B*57:01 complexed to pep-V and Abacavir Deposited 2011-11-18 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded 1KX {(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；289 K；0.1M NaCacodylate, 0.1MNaAcetate, 25%PEG 8,000, 15% Glycerol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 2.00 Å R-free 0.228
3UTQ Human HLA-A*0201-ALWGPDPAAA Deposited 2011-11-26 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；291 K；20% w/v PEG3350, 0.2 M potassium/sodium tartrate, 0.1 M Bis-tris propane, pH 6.5, VAPOR DIFFUSION, temperature 291K
Resolution 1.67 Å R-free 0.244
3UTS 1E6-A*0201-ALWGPDPAAA Complex, Monoclinic Deposited 2011-11-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；291 K；20% w/v PEG3350, 0.2 M sodium citrate, 0.1 M Bis-tris propane, pH 6.5, VAPOR DIFFUSION, temperature 291K
Resolution 2.71 Å R-free 0.269
3UTS 1E6-A*0201-ALWGPDPAAA Complex, Monoclinic Deposited 2011-11-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded SO4 SULFATE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；291 K；20% w/v PEG3350, 0.2 M sodium citrate, 0.1 M Bis-tris propane, pH 6.5, VAPOR DIFFUSION, temperature 291K
Resolution 2.71 Å R-free 0.269
3UTT 1E6-A*0201-ALWGPDPAAA Complex, Triclinic Deposited 2011-11-26 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；291 K；20% w/v PEG3350, 0.2 M sodium citrate, 0.1 M Bis-tris propane, pH 6.5, VAPOR DIFFUSION, temperature 291K
Resolution 2.60 Å R-free 0.274
3UTT 1E6-A*0201-ALWGPDPAAA Complex, Triclinic Deposited 2011-11-26 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；291 K；20% w/v PEG3350, 0.2 M sodium citrate, 0.1 M Bis-tris propane, pH 6.5, VAPOR DIFFUSION, temperature 291K
Resolution 2.60 Å R-free 0.274
3V5D HLA-A2.1 KVAELVHFL Deposited 2011-12-16 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；25 mM MES pH 6.5, 12% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.264
3V5D HLA-A2.1 KVAELVHFL Deposited 2011-12-16 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；25 mM MES pH 6.5, 12% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.264
3V5H HLA-A2.1 KVAEIVHFL Deposited 2011-12-16 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；25 mM MES pH6.5, 12% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.63 Å R-free 0.214
3V5H HLA-A2.1 KVAEIVHFL Deposited 2011-12-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；25 mM MES pH6.5, 12% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.63 Å R-free 0.214
3V5K HLA2.1 KVAELVWFL Deposited 2011-12-16 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；25 mM MES pH6.5 12% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.31 Å R-free 0.228
3V5K HLA2.1 KVAELVWFL Deposited 2011-12-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；25 mM MES pH6.5 12% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.31 Å R-free 0.228
3VCL Crystal Structure of HLA-B7 with the HCMV pp65 peptide RPHERNGFTVL Deposited 2012-01-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded NI NICKEL (II) ION × 4 GOL GLYCEROL × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；18% PEG2000-MME, 5-10mM NiCl2, 0.1M HEPES, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 1.70 Å R-free 0.217
3VFM crystal structure of HLA B*3508 LPEP155A, HLA mutant Ala155 Deposited 2012-01-10 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；0.2M ammonium acetate, 16% PEG 4K, 0.1M sodium citrate pH5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.90 Å R-free 0.241
3VFN crystal structure of HLA B*3508LPEP151A, HLA mutant Ala151 Deposited 2012-01-10 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；0.2M ammonium acetate, 16% PEG 4K, 0.1M sodium citrate pH5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.50 Å R-free 0.211
3VFO crystal structure of HLA B*3508 LPEP157A, HLA mutant Ala157 Deposited 2012-01-10 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；0.2M ammonium acetate, 16% PEG 4K, 0.1M sodium citrate pH5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.70 Å R-free 0.279
3VFP crystal structure of HLA B*3508 LPEP158G, HLA mutant Gly158 Deposited 2012-01-10 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；0.2M ammonium acetate, 16% PEG 4K, 0.1M sodium citrate pH5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.85 Å R-free 0.266
3VFR crystal structure of HLA B*3508LPEP-P4Ala, peptide mutant P4-ala Deposited 2012-01-10 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；0.2M ammonium acetate, 16% PEG 4K, 0.1M sodium citrate pH5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.85 Å R-free 0.232
3VFS crystal structure of HLA B*3508LPEP-P5Ala , peptide mutant P5-ala Deposited 2012-01-10 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；0.2M ammonium acetate, 16% PEG 4K, 0.1M sodium citrate pH5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.85 Å R-free 0.216
3VFT crystal structure of HLA B*3508LPEP-P6Ala, peptide mutant P6-ala Deposited 2012-01-10 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；0.2M ammonium acetate, 16% PEG 4K, 0.1M sodium citrate pH5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.95 Å R-free 0.223
3VFU crystal structure of HLA B*3508 LPEP-P7Ala, peptide mutant P7-ala Deposited 2012-01-10 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；0.2M ammonium acetate, 16% PEG 4K, 0.1M sodium citrate pH5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.65 Å R-free 0.226
3VFV crystal structure of HLA B*3508 LPEP-P9Ala, peptide mutant P9-ala Deposited 2012-01-10 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；0.2M ammonium acetate, 16% PEG 4K, 0.1M sodium citrate pH5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.55 Å R-free 0.204
3VFW crystal structure of HLA B*3508 LPEP-P10Ala, peptide mutant P10-ala Deposited 2012-01-10 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；0.2M ammonium acetate, 16% PEG 4K, 0.1M sodium citrate pH5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 2.30 Å R-free 0.279
3VH8 KIR3DL1 in complex with HLA-B*5701 Deposited 2011-08-24 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；294 K；16% PEG 3350, 2% tacsimate pH 5.0, 0.1M tri-sodium citrate pH 5.6., VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 1.80 Å R-free 0.237
3VH8 KIR3DL1 in complex with HLA-B*5701 Deposited 2011-08-24 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain E 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；294 K；16% PEG 3350, 2% tacsimate pH 5.0, 0.1M tri-sodium citrate pH 5.6., VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 1.80 Å R-free 0.237
3VRI HLA-B*57:01-RVAQLENVYI in complex with abacavir Deposited 2012-04-11 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded 1KX {(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.25；293 K；28% PEG 8000, 0.2M ammonium sulfate, 0.1M cacodylate, pH 6.25, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.60 Å R-free 0.218
3VRJ HLA-B*57:01-LTTKLTNTNI in complex with abacavir Deposited 2012-04-11 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded 1KX {(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.25；293 K；28% PEG 8000, 0.2M ammonium sulfate, 0.1M cacodylate, pH 6.25, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.90 Å R-free 0.213
3VWJ Ternary crystal structure of the human NKT TCR-CD1d-C20:2 complex Deposited 2012-08-24 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 DB3 (11Z,14E)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.8；295 K；8% PEG 10000, 0.2M magnesium chloride, 0.1M Tris, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 3.09 Å R-free 0.292
3VWK Ternary crystal structure of the human NKT TCR-CD1d-4'deoxy-alpha-galactosylceramide complex Deposited 2012-08-24 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 4GH N-{(2S,3R)-1-[(4-deoxy-alpha-D-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 10；295 K；9% PEG 10000, 0.2M magnesium chloride, 0.1M glycine, pH 10.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.94 Å R-free 0.250
3VXM The complex between C1-28 TCR and HLA-A24 bound to HIV-1 Nef134-10(2F) peptide Deposited 2012-09-20 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded CO COBALT (II) ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；80mM HEPES, 8mM Cobalt(II) chloride hexahydrate, 8% PEG 6000, 4% 2-Methyl-2,4-pentanediol (MPD), 8mM betaine hydrochloride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.50 Å R-free 0.267
3VXN HLA-A24 in complex with HIV-1 Nef134-10(wt) Deposited 2012-09-20 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；5% PEG 8000, 50mM ammonium formate, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.95 Å R-free 0.246
3VXO HLA-A24 in complex with HIV-1 Nef134-10(2F) Deposited 2012-09-20 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG 8000, 200mM ammonium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.61 Å R-free 0.242
3VXO HLA-A24 in complex with HIV-1 Nef134-10(2F) Deposited 2012-09-20 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG 8000, 200mM ammonium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.61 Å R-free 0.242
3VXP HLA-A24 in complex with HIV-1 Nef134-10(6L) Deposited 2012-09-20 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG 3350, 200mM NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.50 Å R-free 0.269
3VXP HLA-A24 in complex with HIV-1 Nef134-10(6L) Deposited 2012-09-20 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG 3350, 200mM NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.50 Å R-free 0.269
3VXR The complex between H27-14 TCR and HLA-A24 bound to HIV-1 Nef134-10(wt) peptide Deposited 2012-09-20 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG3350, 0.1M ammonium phosphate dibasic, 10mM barium chloride dihydrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.40 Å R-free 0.242
3VXS The complex between H27-14 TCR and HLA-A24 bound to HIV-1 Nef134-10(6L) peptide Deposited 2012-09-20 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；9% PEG 3350, 10mM iron(III) chloride hexahydrate, 100mM sodium fluoride, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.80 Å R-free 0.230
3VXU The complex between T36-5 TCR and HLA-A24 bound to HIV-1 Nef134-10(2F) peptide Deposited 2012-09-20 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；10% PEG3350, 0.1M sodium nitrate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.70 Å R-free 0.323
3VXU The complex between T36-5 TCR and HLA-A24 bound to HIV-1 Nef134-10(2F) peptide Deposited 2012-09-20 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；10% PEG3350, 0.1M sodium nitrate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.70 Å R-free 0.323
3W0W The complex between T36-5 TCR and HLA-A24 bound to HIV-1 Nef134-10(2F) peptide in space group P212121 Deposited 2012-11-05 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；16% PEG 3350, 0.1 M diammonium tartrate, 0.2% n-dodecyl-N,N-dimethylamine-N-oxide (LDAO) 0.1M HEPES, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.60 Å R-free 0.250
3W39 Crystal structure of HLA-B*5201 in complexed with HIV immunodominant epitope (TAFTIPSI) Deposited 2012-12-13 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；20% PEG 3350, 0.2M sodium acetate, 0.1M Bis Tris propane, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.10 Å R-free 0.347
3W39 Crystal structure of HLA-B*5201 in complexed with HIV immunodominant epitope (TAFTIPSI) Deposited 2012-12-13 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；20% PEG 3350, 0.2M sodium acetate, 0.1M Bis Tris propane, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.10 Å R-free 0.347
3WL9 HLA-A24 in complex with HIV-1 Nef126-10(8I10F) Deposited 2013-11-08 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20%(w/v) PEG3350, 200mM sodium nitrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.66 Å R-free 0.226
3WLB HLA-A24 in complex with HIV-1 Nef126-10(8T10F) Deposited 2013-11-08 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20%(w/v) PEG3350, 200 mM sodium phosphate dibasic, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.00 Å R-free 0.245
3WUW KIR3DL1 in complex with HLA-B*57:01.I80T Deposited 2014-05-06 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 22–119（98 aa） Fragment：Beta 2 Microglobulin, UNP residues 22-119
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；16% PEG3350, 2% tacsimate(pH 5.0), 0.1M tri-sodium citrate pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.239
3X11 Crystal structure of HLA-B*57:01.I80N.L82R.R83G Deposited 2014-10-24 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；12-20% PEG4000, 0.2M ammonium acetate, 0.1M tri-sodium citrate pH 5.4., VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.15 Å R-free 0.231
3X12 Crystal structure of HLA-B*57:01.I80N Deposited 2014-10-24 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；12-20% PEG4000, 0.2M ammonium acetate, 0.1M tri-sodium citrate pH 5.4., VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.80 Å R-free 0.219
3X13 Crystal structure of HLA-B*0801.N80I Deposited 2014-10-24 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；12-20% PEG4000, 0.2M ammonium acetate, 0.1M tri-sodium citrate pH 5.4., VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.80 Å R-free 0.207
3X14 Crystal structure of HLA-B*0801.N80I.R82L.G83R Deposited 2014-10-25 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；12-20% PEG4000, 0.2M ammonium acetate, 0.1M tri-sodium citrate pH 5.4., VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.229
4E5X Crystal structure of a complex between the human adenovirus type 2 E3-19K protein and MHC class I molecule HLA-A2/Tax Deposited 2012-03-14 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：Beta 2-microglobulin
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；290 K；0.8M succinic acid pH7.0 0.1M calcium chloride dihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 1.95 Å R-free 0.241
4E5X Crystal structure of a complex between the human adenovirus type 2 E3-19K protein and MHC class I molecule HLA-A2/Tax Deposited 2012-03-14 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain E 21–119（99 aa） Fragment：Beta 2-microglobulin
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；290 K；0.8M succinic acid pH7.0 0.1M calcium chloride dihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 1.95 Å R-free 0.241
4EN3 Crystal structure of a human Valpha24(-) NKT TCR in complex with CD1d/alpha-galactosylceramide Deposited 2012-04-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 AGH N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE × 1 FUC alpha-L-fucopyranose × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；17 % PEG 4000, 0.1 M ammnonium acetate, 0.1 M sodium acetate pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.57 Å R-free 0.266
4EUP The complex between TCR JKF6 and human Class I MHC HLA-A2 presenting the MART-1(27-35)(A27L) peptide Deposited 2012-04-25 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M Bis-Tris, 16% PEG10000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.88 Å R-free 0.295
4EUP The complex between TCR JKF6 and human Class I MHC HLA-A2 presenting the MART-1(27-35)(A27L) peptide Deposited 2012-04-25 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M Bis-Tris, 16% PEG10000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.88 Å R-free 0.295
4F7M Crystal Structure of HLA-A*2402 Complexed with a Newly Identified Peptide from 2009 H1N1 PA (649-658) Deposited 2012-05-16 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：unp residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M sodium nitrate and 20% (w/v) polyethylene glycol 3,350, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.40 Å R-free 0.289
4F7M Crystal Structure of HLA-A*2402 Complexed with a Newly Identified Peptide from 2009 H1N1 PA (649-658) Deposited 2012-05-16 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：unp residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M sodium nitrate and 20% (w/v) polyethylene glycol 3,350, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.40 Å R-free 0.289
4F7P Crystal Structure of HLA-A*2402 Complexed with a Newly Identified Peptide from 2009H1N1 PB1 (496-505) Deposited 2012-05-16 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：unp residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；293 K；0.1 M Bis-Tris and 10% (w/v) polyethylene glycol 3,350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.90 Å R-free 0.216
4F7T Crystal Structure of HLA-A*2402 Complexed with a Newly Identified Peptide from 2009 H1N1 PB1 (498-505) Deposited 2012-05-16 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：unp residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；293 K；0.1 M Bis-Tris and 10% (w/v) polyethylene glycol 3,350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.70 Å R-free 0.227
4F7T Crystal Structure of HLA-A*2402 Complexed with a Newly Identified Peptide from 2009 H1N1 PB1 (498-505) Deposited 2012-05-16 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：unp residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；293 K；0.1 M Bis-Tris and 10% (w/v) polyethylene glycol 3,350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.70 Å R-free 0.227
4FTV The complex between the high affinity version of A6 TCR (A6c134) and human Class I MHC HLA-A2 with the bound TAX nonameric peptide Deposited 2012-06-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；PEG3350 24%, MES 0.025M, NaCl 0.1M, pH 6.5, vapor diffusion, sitting drop, temperature 277K
Resolution 2.74 Å R-free 0.260
4FXL Crystal structure of the D76N Beta-2 Microglobulin mutant Deposited 2012-07-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa） Fragment：UNP residues 21-119
Mutation：D76N NA SODIUM ION × 1 ACT ACETATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；18-20% PEG 4000, 20% glycerol, 0.2M ammonium acetate, 0.1 M MES, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.40 Å R-free 0.186
4G8G Crystal Structure of C12C TCR-HA B2705-KK10 Deposited 2012-07-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；16% PEG 8000 and 0.1M MES pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.40 Å R-free 0.257
4G8I Crystal Structure of HLA B2705-KK10-L6M Deposited 2012-07-23 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；24% PEG 3350 and 0.3M Na2SO4, pH 8, vapor diffusion, hanging drop, temperature 298K
Resolution 1.60 Å R-free 0.225
4G9D Crystal Structure of HLA B2705-KK10 Deposited 2012-07-23 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；24% PEG 3350 and 0.3M Na2SO4, pH 8, vapor diffusion, hanging drop, temperature 298K
Resolution 1.60 Å R-free 0.233
4G9F Crystal Structure of C12C TCR-HLAB2705-KK10-L6M Deposited 2012-07-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；16% PEG 8000 and 0.1M MES, pH 7, vapor diffusion, hanging drop, temperature 298K
Resolution 1.90 Å R-free 0.238
4GKN A2-MHC Complex carrying FATGIGIITV Deposited 2012-08-13 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；25% PEG 8000, 200 mM Ammonium Sulphate, 200 mM MES Buffer, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.75 Å R-free 0.299
4GKN A2-MHC Complex carrying FATGIGIITV Deposited 2012-08-13 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；25% PEG 8000, 200 mM Ammonium Sulphate, 200 mM MES Buffer, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.75 Å R-free 0.299
4GKS A2-MHC Complex carrying FLTGIGIITV Deposited 2012-08-13 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 7 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；25% PEG 8000, 200 mM Ammonium Sulphate, 200 mM Cacodylate Buffer, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.35 Å R-free 0.285
4GKS A2-MHC Complex carrying FLTGIGIITV Deposited 2012-08-13 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 6 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；25% PEG 8000, 200 mM Ammonium Sulphate, 200 mM Cacodylate Buffer, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.35 Å R-free 0.285
4GUP Structure of MHC-class I related molecule MR1 Deposited 2012-08-29 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded 6FP 2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde × 1 CL CHLORIDE ION × 1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.02M MgCl2, 0.1M HEPES, 22% polyacrylic acid 5100 sodium salt, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 3.20 Å R-free 0.260
4GUP Structure of MHC-class I related molecule MR1 Deposited 2012-08-29 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 21–119（99 aa）
Not recorded 6FP 2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.02M MgCl2, 0.1M HEPES, 22% polyacrylic acid 5100 sodium salt, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 3.20 Å R-free 0.260
4HKJ Structure of Cowpox CPXV203 in complex with MHCI (H-2Kb) Deposited 2012-10-15 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.55；293 K；10% PEG6000, 4% glucose, 2% ethylene glycol, 0.1 M tri-potassium citrate, 0.01% azide, pH 5.55, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.00 Å R-free 0.253
4HKJ Structure of Cowpox CPXV203 in complex with MHCI (H-2Kb) Deposited 2012-10-15 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.55；293 K；10% PEG6000, 4% glucose, 2% ethylene glycol, 0.1 M tri-potassium citrate, 0.01% azide, pH 5.55, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.00 Å R-free 0.253
4HKJ Structure of Cowpox CPXV203 in complex with MHCI (H-2Kb) Deposited 2012-10-15 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain J 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.55；293 K；10% PEG6000, 4% glucose, 2% ethylene glycol, 0.1 M tri-potassium citrate, 0.01% azide, pH 5.55, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.00 Å R-free 0.253
4HKJ Structure of Cowpox CPXV203 in complex with MHCI (H-2Kb) Deposited 2012-10-15 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain N 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.55；293 K；10% PEG6000, 4% glucose, 2% ethylene glycol, 0.1 M tri-potassium citrate, 0.01% azide, pH 5.55, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.00 Å R-free 0.253
4HWZ Structure of HLA-A68 complexed with an HIV derived peptide Deposited 2012-11-09 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1M HEPES, 30%(v/v) Jeffamine ED-2001, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.40 Å R-free 0.233
4HX1 Structure of HLA-A68 complexed with a tumor antigen derived peptide Deposited 2012-11-09 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；100mM Tris, 8% PEG8000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.80 Å R-free 0.226
4I48 Structure of HLA-A68 complexed with an HIV Env derived peptide Deposited 2012-11-27 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1M ammonium acetate, 0.1M Bis-Tris, 17%(w/v) PEG10000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.80 Å R-free 0.281
4I4W Peptide length determines the outcome of T cell receptor/peptide-MHCI engagement Deposited 2012-11-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 18 GOL GLYCEROL × 3 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；291 K；0.2M Ammonium sulphate, 22.5% PEG 8K, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, temperature 291K
Resolution 1.77 Å R-free 0.222
4JFD Preservation of peptide specificity during TCR-MHC contact dominated affinity enhancement of a melanoma-specific TCR Deposited 2013-02-28 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded TAM TRIS(HYDROXYETHYL)AMINOMETHANE × 1 SO4 SULFATE ION × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；0.1 M TRIS, 15% PEG 4000, 17.4% glycerol, pH 7.5, vapor diffusion, sitting drop, temperature 291K
Resolution 2.46 Å R-free 0.248
4JFE Preservation of peptide specificity during TCR-MHC contact dominated affinity enhancement of a melanoma-specific TCR Deposited 2013-02-28 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 4 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1 M BIS TRIS Propane, 20% PEG 4000, 0.2M Ammonium sulphate, 17.4% glycerol, pH 7.0, vapor diffusion, sitting drop, temperature 291K
Resolution 2.70 Å R-free 0.250
4JFF Preservation of peptide specificity during TCR-MHC contact dominated affinity enhancement of a melanoma-specific TCR Deposited 2013-02-28 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 SO4 SULFATE ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1 M TRIS, 15% PEG 4000, 17.4% Glycerol, pH 7.0, vapor diffusion, sitting drop, temperature 291K
Resolution 2.43 Å R-free 0.263
4JFO A2 HLA complex with E1A heteroclitic variant of Melanoma peptide Deposited 2013-02-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 6 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；25 mM MES, 24% PEG 3350, 10 mM NaCl, pH 6.5, vapor diffusion, sitting drop, temperature 291K
Resolution 2.11 Å R-free 0.296
4JFO A2 HLA complex with E1A heteroclitic variant of Melanoma peptide Deposited 2013-02-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；25 mM MES, 24% PEG 3350, 10 mM NaCl, pH 6.5, vapor diffusion, sitting drop, temperature 291K
Resolution 2.11 Å R-free 0.296
4JFP A2 HLA complex with G4A heteroclitic variant of Melanoma peptide Deposited 2013-02-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 5 EDO 1,2-ETHANEDIOL × 3 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；0.1 M sodium cacodylate, 20% PEG 8000, 0.2 M ammonium sulphate, pH 6.0, vapor diffusion, sitting drop, temperature 291K
Resolution 1.91 Å R-free 0.228
4JFP A2 HLA complex with G4A heteroclitic variant of Melanoma peptide Deposited 2013-02-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 3 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；0.1 M sodium cacodylate, 20% PEG 8000, 0.2 M ammonium sulphate, pH 6.0, vapor diffusion, sitting drop, temperature 291K
Resolution 1.91 Å R-free 0.228
4JFQ A2 HLA complex with L8A heteroclitic variant of Melanoma peptide Deposited 2013-02-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 11 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；25 mM MES, 24% PEG 3350, 10 mM NaCl, pH 6.5, vapor diffusion, sitting drop, temperature 291K
Resolution 1.90 Å R-free 0.297
4JFQ A2 HLA complex with L8A heteroclitic variant of Melanoma peptide Deposited 2013-02-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 8 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；25 mM MES, 24% PEG 3350, 10 mM NaCl, pH 6.5, vapor diffusion, sitting drop, temperature 291K
Resolution 1.90 Å R-free 0.297
4JQV HLA-B*18:01 in complex with Epstein-Barr virus BZLF1-derived peptide (residues 173-180) Deposited 2013-03-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 21–119（99 aa） Fragment：mature protein (UNP residues 21-119)
Not recorded ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；0.1 M citrate, pH 5.6, 0.2 M ammonium acetate, 16-26% PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.50 Å R-free 0.214
4JQX HLA-B*44:03 in complex with Epstein-Barr virus BZLF1-derived peptide (residues 169-180) Deposited 2013-03-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 21–119（99 aa） Fragment：mature protein (UNP residues 21-119)
Not recorded GOL GLYCEROL × 1 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；0.1 M citrate, pH 5.6, 0.2 M ammonium acetate, 16-26% PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.90 Å R-free 0.231
4JRX Crystal Structure of CA5 TCR-HLA B*3505-LPEP complex Deposited 2013-03-22 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded NA SODIUM ION × 3 IOD IODIDE ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；298 K；16% PEG 3350, 0.2M KI, 0.1M Na-cacodylate pH 6.7, vapor diffusion, hanging drop, temperature 298K
Resolution 2.30 Å R-free 0.257
4JRY Crystal Structure of SB47 TCR-HLA B*3505-LPEP complex Deposited 2013-03-22 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded NA SODIUM ION × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；12% PEG 10K, 0.2M Na tartrate, 10mM HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.80 Å R-free 0.233
4K71 Crystal structure of a high affinity Human Serum Albumin variant bound to the Neonatal Fc Receptor Deposited 2013-04-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 21–119（99 aa）
Not recorded SO4 SULFATE ION × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；1.7 M ammonium sulfate, 0.1 M sodium citrate, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.40 Å R-free 0.255
4K71 Crystal structure of a high affinity Human Serum Albumin variant bound to the Neonatal Fc Receptor Deposited 2013-04-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 21–119（99 aa）
Not recorded SO4 SULFATE ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；1.7 M ammonium sulfate, 0.1 M sodium citrate, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.40 Å R-free 0.255
4K71 Crystal structure of a high affinity Human Serum Albumin variant bound to the Neonatal Fc Receptor Deposited 2013-04-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain C 21–119（99 aa）
Chain F 21–119（99 aa）
Not recorded SO4 SULFATE ION × 38 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；1.7 M ammonium sulfate, 0.1 M sodium citrate, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.40 Å R-free 0.255
4K7F Newly identified epitope V60 from HBV core protein complexed with HLA-A*0201 Deposited 2013-04-17 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.1M Bis-Tris, 20%(wt/vol) polyethylene glycol 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.00 Å R-free 0.259
4K7F Newly identified epitope V60 from HBV core protein complexed with HLA-A*0201 Deposited 2013-04-17 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.1M Bis-Tris, 20%(wt/vol) polyethylene glycol 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.00 Å R-free 0.259
4KDT Structure of an early native-like intermediate of beta2-microglobulin amyloidosis Deposited 2013-04-25 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 21–119（99 aa） Fragment：unp residues 21-119
Not recorded SO4 SULFATE ION × 4 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES, 1.6 M MgSO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.60 Å R-free 0.274
4KDT Structure of an early native-like intermediate of beta2-microglobulin amyloidosis Deposited 2013-04-25 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 21–119（99 aa） Fragment：unp residues 21-119
Not recorded SO4 SULFATE ION × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES, 1.6 M MgSO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.60 Å R-free 0.274
4L29 Structure of wtMHC class I with NY-ESO1 double mutant Deposited 2013-06-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Not recorded CL CHLORIDE ION × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.09 Å R-free 0.201
4L29 Structure of wtMHC class I with NY-ESO1 double mutant Deposited 2013-06-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 10 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Not recorded CL CHLORIDE ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.09 Å R-free 0.201
4L29 Structure of wtMHC class I with NY-ESO1 double mutant Deposited 2013-06-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 11 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain V 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Not recorded CL CHLORIDE ION × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.09 Å R-free 0.201
4L29 Structure of wtMHC class I with NY-ESO1 double mutant Deposited 2013-06-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 12 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain X 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Not recorded CL CHLORIDE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.09 Å R-free 0.201
4L29 Structure of wtMHC class I with NY-ESO1 double mutant Deposited 2013-06-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 13 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain Z 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Not recorded CL CHLORIDE ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.09 Å R-free 0.201
4L29 Structure of wtMHC class I with NY-ESO1 double mutant Deposited 2013-06-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 14 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain b 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Not recorded CL CHLORIDE ION × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.09 Å R-free 0.201
4L29 Structure of wtMHC class I with NY-ESO1 double mutant Deposited 2013-06-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Not recorded CL CHLORIDE ION × 2 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.09 Å R-free 0.201
4L29 Structure of wtMHC class I with NY-ESO1 double mutant Deposited 2013-06-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Not recorded CL CHLORIDE ION × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.09 Å R-free 0.201
4L29 Structure of wtMHC class I with NY-ESO1 double mutant Deposited 2013-06-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Not recorded CL CHLORIDE ION × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.09 Å R-free 0.201
4L29 Structure of wtMHC class I with NY-ESO1 double mutant Deposited 2013-06-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain J 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Not recorded CL CHLORIDE ION × 4 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.09 Å R-free 0.201
4L29 Structure of wtMHC class I with NY-ESO1 double mutant Deposited 2013-06-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain L 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Not recorded CL CHLORIDE ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.09 Å R-free 0.201
4L29 Structure of wtMHC class I with NY-ESO1 double mutant Deposited 2013-06-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 7 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain N 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Not recorded CL CHLORIDE ION × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.09 Å R-free 0.201
4L29 Structure of wtMHC class I with NY-ESO1 double mutant Deposited 2013-06-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain P 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Not recorded CL CHLORIDE ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.09 Å R-free 0.201
4L29 Structure of wtMHC class I with NY-ESO1 double mutant Deposited 2013-06-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 9 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain R 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Not recorded CL CHLORIDE ION × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.09 Å R-free 0.201
4L3C Structure of HLA-A2 in complex with D76N b2m mutant and NY-ESO1 double mutant Deposited 2013-06-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Mutation：D76N CL CHLORIDE ION × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.64 Å R-free 0.218
4L3C Structure of HLA-A2 in complex with D76N b2m mutant and NY-ESO1 double mutant Deposited 2013-06-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 10 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain T 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Mutation：D76N CL CHLORIDE ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.64 Å R-free 0.218
4L3C Structure of HLA-A2 in complex with D76N b2m mutant and NY-ESO1 double mutant Deposited 2013-06-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 11 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain V 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Mutation：D76N CL CHLORIDE ION × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.64 Å R-free 0.218
4L3C Structure of HLA-A2 in complex with D76N b2m mutant and NY-ESO1 double mutant Deposited 2013-06-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 12 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain X 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Mutation：D76N CL CHLORIDE ION × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.64 Å R-free 0.218
4L3C Structure of HLA-A2 in complex with D76N b2m mutant and NY-ESO1 double mutant Deposited 2013-06-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 13 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain Z 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Mutation：D76N CL CHLORIDE ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.64 Å R-free 0.218
4L3C Structure of HLA-A2 in complex with D76N b2m mutant and NY-ESO1 double mutant Deposited 2013-06-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 14 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain b 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Mutation：D76N CL CHLORIDE ION × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.64 Å R-free 0.218
4L3C Structure of HLA-A2 in complex with D76N b2m mutant and NY-ESO1 double mutant Deposited 2013-06-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Mutation：D76N CL CHLORIDE ION × 3 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.64 Å R-free 0.218
4L3C Structure of HLA-A2 in complex with D76N b2m mutant and NY-ESO1 double mutant Deposited 2013-06-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Mutation：D76N CL CHLORIDE ION × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.64 Å R-free 0.218
4L3C Structure of HLA-A2 in complex with D76N b2m mutant and NY-ESO1 double mutant Deposited 2013-06-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Mutation：D76N CL CHLORIDE ION × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.64 Å R-free 0.218
4L3C Structure of HLA-A2 in complex with D76N b2m mutant and NY-ESO1 double mutant Deposited 2013-06-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain J 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Mutation：D76N CL CHLORIDE ION × 5 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.64 Å R-free 0.218
4L3C Structure of HLA-A2 in complex with D76N b2m mutant and NY-ESO1 double mutant Deposited 2013-06-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain L 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Mutation：D76N CL CHLORIDE ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.64 Å R-free 0.218
4L3C Structure of HLA-A2 in complex with D76N b2m mutant and NY-ESO1 double mutant Deposited 2013-06-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 7 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain N 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Mutation：D76N CL CHLORIDE ION × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.64 Å R-free 0.218
4L3C Structure of HLA-A2 in complex with D76N b2m mutant and NY-ESO1 double mutant Deposited 2013-06-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain P 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Mutation：D76N CL CHLORIDE ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.64 Å R-free 0.218
4L3C Structure of HLA-A2 in complex with D76N b2m mutant and NY-ESO1 double mutant Deposited 2013-06-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 9 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain R 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Mutation：D76N CL CHLORIDE ION × 5 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.64 Å R-free 0.218
4L3E The complex between high affinity TCR DMF5(alpha-D26Y,beta-L98W) and human Class I MHC HLA-A2 with the bound MART-1(26-35)(A27L) peptide Deposited 2013-06-05 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；12% PEG3350, 0.1 M Tris-HCl, 0.25 M magnesium chloride, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.56 Å R-free 0.266
4L4T Structure of human MAIT TCR in complex with human MR1-6-FP Deposited 2013-06-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 6FP 2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.225
4L4T Structure of human MAIT TCR in complex with human MR1-6-FP Deposited 2013-06-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded 6FP 2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.225
4L4V Structure of human MAIT TCR in complex with human MR1-RL-6-Me-7-OH Deposited 2013-06-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 1VY 1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.3；293 K；pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.90 Å R-free 0.209
4L4V Structure of human MAIT TCR in complex with human MR1-RL-6-Me-7-OH Deposited 2013-06-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded 1VY 1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.3；293 K；pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.90 Å R-free 0.209
4LCW The structure of human MAIT TCR in complex with MR1-K43A-RL-6-Me-7OH Deposited 2013-06-24 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 1VY 1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.2M sodium acetate, 0.1M Bis-Tris-Propane pH 6.5 and 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.40 Å R-free 0.227
4LCW The structure of human MAIT TCR in complex with MR1-K43A-RL-6-Me-7OH Deposited 2013-06-24 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded 1VY 1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.2M sodium acetate, 0.1M Bis-Tris-Propane pH 6.5 and 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.40 Å R-free 0.227
4LCY Crystal structure of HLA-b46 at 1.6 angstrom resolution Deposited 2013-06-24 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1M BIS-TRIS pH 5.5, 25% POLYETHYLENE GLYCOL 3350 , VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.60 Å R-free 0.201
4LCY Crystal structure of HLA-b46 at 1.6 angstrom resolution Deposited 2013-06-24 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain H 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1M BIS-TRIS pH 5.5, 25% POLYETHYLENE GLYCOL 3350 , VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.60 Å R-free 0.201
4LCY Crystal structure of HLA-b46 at 1.6 angstrom resolution Deposited 2013-06-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 7 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NA SODIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1M BIS-TRIS pH 5.5, 25% POLYETHYLENE GLYCOL 3350 , VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.60 Å R-free 0.201
4LCY Crystal structure of HLA-b46 at 1.6 angstrom resolution Deposited 2013-06-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NA SODIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1M BIS-TRIS pH 5.5, 25% POLYETHYLENE GLYCOL 3350 , VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.60 Å R-free 0.201
4LHU Crystal Structure of 9C2 TCR bound to CD1d Deposited 2013-07-01 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 BMA beta-D-mannopyranose × 1 MG MAGNESIUM ION × 1 JLS (15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；12% PEG8000, 0.1 M Tris-HCl, pH 7.0, 0.2 M magnesium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.87 Å R-free 0.243
4LNR The structure of HLA-B*35:01 in complex with the peptide (RPQVPLRPMTY) Deposited 2013-07-12 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.1M MES monohydrate pH 6.5, 12% w/v Polyethylene glycol 20,000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.00 Å R-free 0.208
4M8V Crystal structure of Human double mutant beta2-microglobulin Q8H-L65T Deposited 2013-08-14 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Mutation：Q8H, L65T No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；289 K；20%(w/v) PEG 3350, 0.1M Bis-tris, 0.2M Ammonium acetate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 1.95 Å R-free 0.240
4M8V Crystal structure of Human double mutant beta2-microglobulin Q8H-L65T Deposited 2013-08-14 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 21–119（99 aa）
Mutation：Q8H, L65T No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；289 K；20%(w/v) PEG 3350, 0.1M Bis-tris, 0.2M Ammonium acetate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 1.95 Å R-free 0.240
4MJ5 Crystal Structure of HLA-A*1101 in complex with H1-22, an influenza A(H1N1) virus epitope Deposited 2013-09-03 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；0.1M Ammonium acetate, 0.1M BIS0TRIS PH5.5, 17% w/v Polyethylene glycol 10K, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.40 Å R-free 0.245
4MJ6 Crystal Structure of HLA-A*1101 in complex with H7-22, an influenza A(H7N9) virus epitope Deposited 2013-09-03 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；0.1M Ammonium acetate, 0.1M BIS0TRIS PH5.5, 17% w/v Polyethylene glycol 10K, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.57 Å R-free 0.247
4MJI T cell response to a HIV reverse transcriptase epitope presented by the protective allele HLA-B*51:01 Deposited 2013-09-03 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；291 K；20% PEG 3350, 0.2M NaSO4, 0.1M Bis-Tris Propane, pH 6.5, VAPOR DIFFUSION, temperature 291K
Resolution 2.99 Å R-free 0.304
4MJI T cell response to a HIV reverse transcriptase epitope presented by the protective allele HLA-B*51:01 Deposited 2013-09-03 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；291 K；20% PEG 3350, 0.2M NaSO4, 0.1M Bis-Tris Propane, pH 6.5, VAPOR DIFFUSION, temperature 291K
Resolution 2.99 Å R-free 0.304
4MNQ TCR-peptide specificity overrides affinity enhancing TCR-MHC interactions Deposited 2013-09-11 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；TRIS 0.02M, 20% PEG 4000, 0.01M NaCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.74 Å R-free 0.284
4N0F Human FcRn complexed with human serum albumin Deposited 2013-10-01 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：unp residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.2；298 K；4% Tacsimate, pH 4.0, 12% PEG3350, 30 mM Sodium Acetate, pH 5.2, HSA/FcRn 10 mg/ml, VAPOR DIFFUSION, temperature 298K
Resolution 3.02 Å R-free 0.260
4N0F Human FcRn complexed with human serum albumin Deposited 2013-10-01 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 21–119（99 aa） Fragment：unp residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.2；298 K；4% Tacsimate, pH 4.0, 12% PEG3350, 30 mM Sodium Acetate, pH 5.2, HSA/FcRn 10 mg/ml, VAPOR DIFFUSION, temperature 298K
Resolution 3.02 Å R-free 0.260
4N0F Human FcRn complexed with human serum albumin Deposited 2013-10-01 Different construct Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain I 21–119（99 aa） Fragment：unp residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.2；298 K；4% Tacsimate, pH 4.0, 12% PEG3350, 30 mM Sodium Acetate, pH 5.2, HSA/FcRn 10 mg/ml, VAPOR DIFFUSION, temperature 298K
Resolution 3.02 Å R-free 0.260
4N0F Human FcRn complexed with human serum albumin Deposited 2013-10-01 Different construct Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain L 21–119（99 aa） Fragment：unp residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.2；298 K；4% Tacsimate, pH 4.0, 12% PEG3350, 30 mM Sodium Acetate, pH 5.2, HSA/FcRn 10 mg/ml, VAPOR DIFFUSION, temperature 298K
Resolution 3.02 Å R-free 0.260
4N0U Ternary complex between Neonatal Fc receptor, serum albumin and Fc Deposited 2013-10-02 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 8 PDB declaration: octameric
Chain B 21–119（99 aa） Fragment：beta-2 microglobulin, unp residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.2；298 K；4% Tacsimate, pH 4.0, 12% PEG 3350, VAPOR DIFFUSION, temperature 298K
Resolution 3.80 Å R-free 0.303
4N8V Crystal structure of killer cell immunoglobulin-like receptor KIR2DS2 in complex with HLA-A Deposited 2013-10-18 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；16% PEG 3350, 2% TACSIMATE, 0.1M TRI-SODIUM CITRATE, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.50 Å R-free 0.257
4N8V Crystal structure of killer cell immunoglobulin-like receptor KIR2DS2 in complex with HLA-A Deposited 2013-10-18 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；16% PEG 3350, 2% TACSIMATE, 0.1M TRI-SODIUM CITRATE, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.50 Å R-free 0.257
4NNX Crystal structure of PKD2 phosphopeptide bound to HLA-A2 Deposited 2013-11-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded CD CADMIUM ION × 4 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；11% PEG3350, 0.1 M HEPES, pH 7.5, 0.15 M sodium chloride, 0.003 M magnesium chloride, 0.003 M cadmium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.10 Å R-free 0.236
4NNY Crystal structure of non-phosphorylated form of PKD2 phosphopeptide bound to HLA-A2 Deposited 2013-11-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded CD CADMIUM ION × 3 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；15% PEG3350, 0.1 M HEPES, 0.2 M sodium chloride, 0.003 M magnesium chloride, 0.003 M cadmium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.90 Å R-free 0.229
4NO0 Crystal structure of non-phosphorylated form of RQA_V phosphopeptide bound to HLA-A2 in complex with LILRB1 Deposited 2013-11-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；18% PEG3350, 0.1 M HEPES, pH 7.4, 0.2 M ammonium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.70 Å R-free 0.309
4NO2 Crystal structure of RQA_V phosphopeptide bound to HLA-A2 Deposited 2013-11-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；20% PEG8000, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.249
4NO3 Crystal structure of AMPD2 phosphopeptide bound to HLA-A2 Deposited 2013-11-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；12% PEG3350, 8% tacsimate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.232
4NO5 Crystal structure of non-phosphorylated form of AMPD2 phosphopeptide bound to HLA-A2 Deposited 2013-11-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 22–119（98 aa） Fragment：UNP residues 22-119
Not recorded EDO 1,2-ETHANEDIOL × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；19% PEG3350, 0.1 M Bis-Tris propane, 0.1 M sodium tartrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.10 Å R-free 0.237
4NQC Crystal structure of TCR-MR1 ternary complex and covalently bound 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil Deposited 2013-11-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.3；293 K；12% (w/v) PEG3350, 0.2 M sodium citrate, 0.1 M bis-tris propane, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.216
4NQC Crystal structure of TCR-MR1 ternary complex and covalently bound 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil Deposited 2013-11-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.3；293 K；12% (w/v) PEG3350, 0.2 M sodium citrate, 0.1 M bis-tris propane, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.216
4NQD Crystal structure of TCR-MR1 ternary complex and non-covalently bound 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil Deposited 2013-11-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded Q87 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.3；293 K；12% (w/v) PEG3350, 0.2 M sodium citrate, 0.1 M bis-tris propane, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.227
4NQD Crystal structure of TCR-MR1 ternary complex and non-covalently bound 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil Deposited 2013-11-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 21–119（99 aa）
Not recorded Q87 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.3；293 K；12% (w/v) PEG3350, 0.2 M sodium citrate, 0.1 M bis-tris propane, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.227
4NQD Crystal structure of TCR-MR1 ternary complex and non-covalently bound 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil Deposited 2013-11-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain B 21–119（99 aa）
Chain F 21–119（99 aa）
Not recorded Q87 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.3；293 K；12% (w/v) PEG3350, 0.2 M sodium citrate, 0.1 M bis-tris propane, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.227
4NQE Crystal structure of TCR-MR1 ternary complex bound to 5-(2-oxoethylideneamino)-6-D-ribitylaminouracil Deposited 2013-11-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 2L4 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.3；12% (w/v) PEG3350, 0.2 M sodium citrate, 0.1 M bis-tris propane, pH 6.3, VAPOR DIFFUSION, HANGING DROP
Resolution 2.10 Å R-free 0.222
4NQE Crystal structure of TCR-MR1 ternary complex bound to 5-(2-oxoethylideneamino)-6-D-ribitylaminouracil Deposited 2013-11-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded 2L4 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.3；12% (w/v) PEG3350, 0.2 M sodium citrate, 0.1 M bis-tris propane, pH 6.3, VAPOR DIFFUSION, HANGING DROP
Resolution 2.10 Å R-free 0.222
4NQV Crystal Structure of HLA A*0101 in complex with NP44, an 9-mer influenza epitope Deposited 2013-11-25 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 5.6；277 K；0.2M MgCl, 0.1M Na-citrate pH 5.6, 15-20% PEG 6K, EVAPORATION, temperature 277K
Resolution 2.39 Å R-free 0.291
4NQV Crystal Structure of HLA A*0101 in complex with NP44, an 9-mer influenza epitope Deposited 2013-11-25 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 5.6；277 K；0.2M MgCl, 0.1M Na-citrate pH 5.6, 15-20% PEG 6K, EVAPORATION, temperature 277K
Resolution 2.39 Å R-free 0.291
4NQV Crystal Structure of HLA A*0101 in complex with NP44, an 9-mer influenza epitope Deposited 2013-11-25 Different construct Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 5.6；277 K；0.2M MgCl, 0.1M Na-citrate pH 5.6, 15-20% PEG 6K, EVAPORATION, temperature 277K
Resolution 2.39 Å R-free 0.291
4NQV Crystal Structure of HLA A*0101 in complex with NP44, an 9-mer influenza epitope Deposited 2013-11-25 Different construct Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 5.6；277 K；0.2M MgCl, 0.1M Na-citrate pH 5.6, 15-20% PEG 6K, EVAPORATION, temperature 277K
Resolution 2.39 Å R-free 0.291
4NQV Crystal Structure of HLA A*0101 in complex with NP44, an 9-mer influenza epitope Deposited 2013-11-25 Different construct Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain J 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 5.6；277 K；0.2M MgCl, 0.1M Na-citrate pH 5.6, 15-20% PEG 6K, EVAPORATION, temperature 277K
Resolution 2.39 Å R-free 0.291
4NQV Crystal Structure of HLA A*0101 in complex with NP44, an 9-mer influenza epitope Deposited 2013-11-25 Different construct Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain L 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 5.6；277 K；0.2M MgCl, 0.1M Na-citrate pH 5.6, 15-20% PEG 6K, EVAPORATION, temperature 277K
Resolution 2.39 Å R-free 0.291
4NQX Crystal Structure of HLA A*0101 in complex with NP44-S7N, an 9-mer influenza epitope Deposited 2013-11-26 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 5.6；277 K；0.2M MgCl, 0.1M Na-citrate pH 5.6, 15-20% PEG 6K, EVAPORATION, temperature 277K
Resolution 2.00 Å R-free 0.283
4NQX Crystal Structure of HLA A*0101 in complex with NP44-S7N, an 9-mer influenza epitope Deposited 2013-11-26 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 5.6；277 K；0.2M MgCl, 0.1M Na-citrate pH 5.6, 15-20% PEG 6K, EVAPORATION, temperature 277K
Resolution 2.00 Å R-free 0.283
4NQX Crystal Structure of HLA A*0101 in complex with NP44-S7N, an 9-mer influenza epitope Deposited 2013-11-26 Different construct Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 5.6；277 K；0.2M MgCl, 0.1M Na-citrate pH 5.6, 15-20% PEG 6K, EVAPORATION, temperature 277K
Resolution 2.00 Å R-free 0.283
4NQX Crystal Structure of HLA A*0101 in complex with NP44-S7N, an 9-mer influenza epitope Deposited 2013-11-26 Different construct Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 5.6；277 K；0.2M MgCl, 0.1M Na-citrate pH 5.6, 15-20% PEG 6K, EVAPORATION, temperature 277K
Resolution 2.00 Å R-free 0.283
4NQX Crystal Structure of HLA A*0101 in complex with NP44-S7N, an 9-mer influenza epitope Deposited 2013-11-26 Different construct Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain J 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 5.6；277 K；0.2M MgCl, 0.1M Na-citrate pH 5.6, 15-20% PEG 6K, EVAPORATION, temperature 277K
Resolution 2.00 Å R-free 0.283
4NQX Crystal Structure of HLA A*0101 in complex with NP44-S7N, an 9-mer influenza epitope Deposited 2013-11-26 Different construct Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain L 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 5.6；277 K；0.2M MgCl, 0.1M Na-citrate pH 5.6, 15-20% PEG 6K, EVAPORATION, temperature 277K
Resolution 2.00 Å R-free 0.283
4NT6 HLA-C*0801 Crystal Structure Deposited 2013-12-01 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–118（98 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.05M CALCIUM CHLORIDE DIHYDRATE, 0.1M BIS-TRIS, 30%(V/V) POLYETHYLENE GLYCOL MONOMETHYL ETHER 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.84 Å R-free 0.229
4O2C An Nt-acetylated peptide complexed with HLA-B*3901 Deposited 2013-12-17 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1M ammonium acetate, 0.1M Bis-Tris (pH 6.5), 17% (w/v) PEG 10000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.80 Å R-free 0.202
4O2E A peptide complexed with HLA-B*3901 Deposited 2013-12-17 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1M ammonium acetate, 0.1M Bis-Tris (pH 6.5), 20% (w/v) PEG 10000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.98 Å R-free 0.208
4O2E A peptide complexed with HLA-B*3901 Deposited 2013-12-17 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1M ammonium acetate, 0.1M Bis-Tris (pH 6.5), 20% (w/v) PEG 10000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.98 Å R-free 0.208
4O2F A peptide complexed with HLA-B*3901 Deposited 2013-12-17 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.2M sodium formate, 20% (w/v) PEG 3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.213
4O2F A peptide complexed with HLA-B*3901 Deposited 2013-12-17 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.2M sodium formate, 20% (w/v) PEG 3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.213
4ONO CD1c in complex with PM (phosphomycoketide) Deposited 2014-01-28 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Mutation：N52Q, N57Q, K108G, N128Q, N241Q, W242G PMK (4R,8S,16S,20R)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate × 1 CL CHLORIDE ION × 6 MLI MALONATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.4；291 K；1.05 M sodium citrate, 100 mM CHES (pH 9.4), and 25 mM triglycine, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.71 Å R-free 0.271
4PJ5 Structure of human MR1-Ac-6-FP in complex with human MAIT TRBV6-1 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 30W N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, sodium acetate, bis-tris-propane
Resolution 2.00 Å R-free 0.220
4PJ5 Structure of human MR1-Ac-6-FP in complex with human MAIT TRBV6-1 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded 30W N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, sodium acetate, bis-tris-propane
Resolution 2.00 Å R-free 0.220
4PJ7 Structure of human MR1-5-OP-RU in complex with human MAIT TRBV6-4 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 2.50 Å R-free 0.219
4PJ7 Structure of human MR1-5-OP-RU in complex with human MAIT TRBV6-4 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 2.50 Å R-free 0.219
4PJ8 Structure of human MR1-5-OP-RU in complex with human MAIT TRBV20 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 3.30 Å R-free 0.213
4PJ9 Structure of human MR1-5-OP-RU in complex with human MAIT TRAJ20 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 2.00 Å R-free 0.199
4PJA Structure of human MR1-5-OP-RU in complex with human MAIT B-B10 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 2.68 Å R-free 0.216
4PJA Structure of human MR1-5-OP-RU in complex with human MAIT B-B10 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 2.68 Å R-free 0.216
4PJB Structure of human MR1-5-OP-RU in complex with human MAIT B-F3-C1 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 2.85 Å R-free 0.225
4PJB Structure of human MR1-5-OP-RU in complex with human MAIT B-F3-C1 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 2.85 Å R-free 0.225
4PJC Structure of human MR1-5-OP-RU in complex with human MAIT C-A11 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 2.50 Å R-free 0.213
4PJC Structure of human MR1-5-OP-RU in complex with human MAIT C-A11 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 2.50 Å R-free 0.213
4PJD Structure of human MR1-5-OP-RU in complex with human MAIT C-C10 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 2.78 Å R-free 0.226
4PJD Structure of human MR1-5-OP-RU in complex with human MAIT C-C10 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 2.78 Å R-free 0.226
4PJE Structure of human MR1-Ac-6-FP in complex with human MAIT B-B10 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded CL CHLORIDE ION × 2 GOL GLYCEROL × 6 ACT ACETATE ION × 3 30W N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 1.95 Å R-free 0.197
4PJE Structure of human MR1-Ac-6-FP in complex with human MAIT B-B10 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa）
Not recorded CL CHLORIDE ION × 1 GOL GLYCEROL × 2 30W N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 1.95 Å R-free 0.197
4PJF Structure of human MR1-Ac-6-FP in complex with human MAIT B-C10 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 30W N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 2.45 Å R-free 0.212
4PJF Structure of human MR1-Ac-6-FP in complex with human MAIT B-C10 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa）
Not recorded 30W N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 2.45 Å R-free 0.212
4PJG Structure of human MR1-Ac-6-FP in complex with human MAIT B-F3-C1 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 30W N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 2.40 Å R-free 0.213
4PJG Structure of human MR1-Ac-6-FP in complex with human MAIT B-F3-C1 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa）
Not recorded 30W N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 2.40 Å R-free 0.213
4PJH Structure of human MR1-Ac-6-FP in complex with human MAIT B-G8 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 30W N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide × 1 NA SODIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 2.00 Å R-free 0.198
4PJH Structure of human MR1-Ac-6-FP in complex with human MAIT B-G8 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 30W N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 2.00 Å R-free 0.198
4PJI Structure of human MR1-Ac-6-FP in complex with human MAIT C-C10 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 30W N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide × 1 GOL GLYCEROL × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 2.50 Å R-free 0.228
4PJI Structure of human MR1-Ac-6-FP in complex with human MAIT C-C10 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa）
Not recorded 30W N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 2.50 Å R-free 0.228
4PJX Structure of human MR1-Ac-6-FP in complex with human MAIT C-A11 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 30W N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 4 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 2.25 Å R-free 0.203
4PJX Structure of human MR1-Ac-6-FP in complex with human MAIT C-A11 TCR Deposited 2014-05-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa）
Not recorded 30W N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide × 1 GOL GLYCEROL × 2 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, Bis-tris propane, sodium acetate
Resolution 2.25 Å R-free 0.203
4PR5 Crystal structure of a HLA-B*35:01-HPVG-D5 Deposited 2014-03-05 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.6；298 K；16% PEG 4000, 0.2M ammonium acetate and 0.1M Na-Citrate pH 5.6, vapor diffusion, temperature 298K
Resolution 1.80 Å R-free 0.213
4PRA Crystal structure of a HLA-B*35:01-HPVG-Q5 Deposited 2014-03-05 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.6；298 K；16% PEG 4000, 0.2M ammonium acetate and 0.1M Na-Citrate, pH 5.6, VAPOR DIFFUSION, temperature 298K
Resolution 1.85 Å R-free 0.225
4PRB Crystal structure of a HLA-B*35:08-HPVG-A4 Deposited 2014-03-05 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.6；298 K；16% PEG 4000, 0.2M ammonium acetate and 0.1M Na-Citrate, pH 5.6, VAPOR DIFFUSION, temperature 298K
Resolution 1.75 Å R-free 0.234
4PRD Crystal structure of a HLA-B*35:08-HPVG-D5 Deposited 2014-03-05 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.6；298 K；16% PEG 4000, 0.2M ammonium acetate and 0.1M Na-Citrate pH 5.6, vapor diffusion, temperature 298K
Resolution 1.75 Å R-free 0.234
4PRE Crystal structure of a HLA-B*35:08-HPVG-Q5 Deposited 2014-03-05 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.6；298 K；16% PEG 4000, 0.2M ammonium acetate and 0.1M Na-Citrate, pH 5.6, VAPOR DIFFUSION, temperature 298K
Resolution 1.65 Å R-free 0.202
4PRH Crystal structure of TK3 TCR-HLA-B*35:08-HPVG-D5 complex Deposited 2014-03-05 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 23–119（97 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；298 K；18% PEG 3350, 0.2M LiSO4 and 0.1M Na-Citrate pH 5.6, vapor diffusion, temperature 298K
Resolution 2.50 Å R-free 0.253
4PRI Crystal structure of TK3 TCR-HLA-B*35:08-HPVG complex Deposited 2014-03-05 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded CL CHLORIDE ION × 2 NA SODIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.6；298 K；18% PEG 3350, 0.2M LiSO4 and 0.1M Na-Citrate pH 5.6, vapor diffusion, temperature 298K
Resolution 2.40 Å R-free 0.261
4PRN Crystal structure of a HLA-B*35:01-HPVG-A4 Deposited 2014-03-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.6；298 K；16% PEG 4000, 0.2M ammonium acetate and 0.1M Na-Citrate pH 5.6, vapor diffusion, temperature 298K
Resolution 1.65 Å R-free 0.222
4PRP Crystal structure of TK3 TCR-HLA-B*35:01-HPVG-Q5 complex Deposited 2014-03-06 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.6；298 K；18% PEG 3350, 0.2M LiSO4 and 0.1M Na-Citrate, pH 5.6, VAPOR DIFFUSION, temperature 298K
Resolution 2.50 Å R-free 0.229
4QOK Structural basis for ineffective T-cell responses to MHC anchor residue improved heteroclitic peptides Deposited 2014-06-20 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1 M Sodium Cacodylate, pH 6.5, 15% PEG 4000, 15% Glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 3.00 Å R-free 0.262
4QRP Crystal Structure of HLA B*0801 in complex with HSKKKCDEL and DD31 TCR Deposited 2014-07-02 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded IOD IODIDE ION × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.2M ammonium acetate, 16% PEG 4K, 0.1 tri-Na citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 2.90 Å R-free 0.248
4QRP Crystal Structure of HLA B*0801 in complex with HSKKKCDEL and DD31 TCR Deposited 2014-07-02 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded IOD IODIDE ION × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.2M ammonium acetate, 16% PEG 4K, 0.1 tri-Na citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 2.90 Å R-free 0.248
4QRP Crystal Structure of HLA B*0801 in complex with HSKKKCDEL and DD31 TCR Deposited 2014-07-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain B 21–119（99 aa）
Chain G 21–119（99 aa）
Not recorded IOD IODIDE ION × 12 NA SODIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.2M ammonium acetate, 16% PEG 4K, 0.1 tri-Na citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 2.90 Å R-free 0.248
4QRQ Crystal Structure of HLA B*0801 in complex with HSKKKCDEL Deposited 2014-07-02 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.2M ammonium acetate, 16% PEG 4K, 0.1 tri-Na citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 1.70 Å R-free 0.209
4QRR Crystal Structure of HLA B*3501-IPS in complex with a Delta-Beta TCR, clone 12 TCR Deposited 2014-07-02 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.3 M KCN, 24% PEG 3350, 2% EG, 10 mM spermidine, 10 mM L-Proline, pH 8, vapor diffusion, hanging drop, temperature 277K
Resolution 3.00 Å R-free 0.258
4QRS Crystal Structure of HLA B*0801 in complex with ELK_IYM, ELKRKMIYM Deposited 2014-07-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 22–119（98 aa）
Not recorded ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.2M ammonium acetate, 16% PEG 4K, 0.1 tri-Na citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 1.40 Å R-free 0.216
4QRT Crystal Structure of HLA B*0801 in complex with ELN_YYM, ELNRKMIYM Deposited 2014-07-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.2M ammonium acetate, 16% PEG 4K, 0.1 tri-Na citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K
Resolution 1.40 Å R-free 0.204
4QRU Crystal Structure of HLA B*0801 in complex with ELR_MYM, ELRRKMMYM Deposited 2014-07-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.2M ammonium acetate, 16% PEG 4K, 0.1 tri-Na citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.60 Å R-free 0.202
4R9H Crystal structure of dimeric S33C beta-2 microglobulin mutant at 1.9 Angstrom resolution Deposited 2014-09-05 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 21–119（99 aa） Fragment：UNP residues 21-119
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Mutation：S33C Mutation：S33C No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；25% PEG4000, 0.2 M imidazole-malate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.90 Å R-free 0.247
4R9H Crystal structure of dimeric S33C beta-2 microglobulin mutant at 1.9 Angstrom resolution Deposited 2014-09-05 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Chain C 21–119（99 aa） Fragment：UNP residues 21-119
Mutation：S33C Mutation：S33C No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；25% PEG4000, 0.2 M imidazole-malate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.90 Å R-free 0.247
4RA3 Crystal structure of dimeric S33C beta-2 microglobulin mutant in complex with Thioflavin (ThT) at 2.8 Angstrom resolution Deposited 2014-09-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 21–119（99 aa） Fragment：UNP residues 21-119
Chain C 21–119（99 aa） Fragment：UNP residues 21-119
Mutation：S33C Mutation：S33C TFX 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；25% v/v PEG4000, 0.1 M sodium chloride, 5 mM thioflavin, 0.1 M HEPES sodium, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.80 Å R-free 0.206
4RA3 Crystal structure of dimeric S33C beta-2 microglobulin mutant in complex with Thioflavin (ThT) at 2.8 Angstrom resolution Deposited 2014-09-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Mutation：S33C Mutation：S33C TFX 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；25% v/v PEG4000, 0.1 M sodium chloride, 5 mM thioflavin, 0.1 M HEPES sodium, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.80 Å R-free 0.206
4RAH Crystal structure of dimeric S33C beta-2 microglobulin mutant at 1.4 Angstrom resolution Deposited 2014-09-10 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 21–119（99 aa） Fragment：UNP residues 21-119
Mutation：S33C No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；28% v/v PEG400, 0.2 M calcium chloride dihydrate, 0.1 M HEPES sodium, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.40 Å R-free 0.209
4RMQ Crystal structure of the D59N Beta-2 Microglobulin mutant Deposited 2014-10-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa） Fragment：UNP residues 21-119
Mutation：D59N PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；27% PEG4000, 15% glycerol, 0.2 M ammonium acetate, 0.1 M sodium acetate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.46 Å R-free 0.193
4RMR Crystal structure of the D38N Beta-2 Microglobulin mutant Deposited 2014-10-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa） Fragment：UNP residues 21-119
Mutation：D38N PEG DI(HYDROXYETHYL)ETHER × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；21% PEG4000, 15% glycerol, 0.2 M ammonium acetate, 0.1 M sodium acetate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.53 Å R-free 0.248
4RMS Crystal structure of the D53N Beta-2 Microglobulin mutant Deposited 2014-10-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa） Fragment：UNP residues 21-119
Mutation：D53N PEG DI(HYDROXYETHYL)ETHER × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；27% PEG4000, 15% glycerol, 0.2 M ammonium acetate, 0.1 M sodium acetate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.70 Å R-free 0.249
4RMT Crystal structure of the D98N Beta-2 Microglobulin mutant Deposited 2014-10-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa） Fragment：UNP residues 21-119
Mutation：D98N PGE TRIETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；27% PEG4000, 15% glycerol, 0.2 M ammonium acetate, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.24 Å R-free 0.199
4RMU Crystal structure of the D76E Beta-2 Microglobulin mutant Deposited 2014-10-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa） Fragment：UNP residues 21-119
Mutation：D76E PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；24% PEG4000, 15% glycerol, 0.2 M ammonium acetate, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.40 Å R-free 0.192
4RMV Crystal structure of the D76H Beta-2 Microglobulin mutant Deposited 2014-10-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa） Fragment：UNP residues 21-119
Mutation：D76H ACT ACETATE ION × 1 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；30% PEG4000, 15% glycerol, 0.2 M ammonium acetate, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.46 Å R-free 0.229
4RMW Crystal structure of the D76A Beta-2 Microglobulin mutant Deposited 2014-10-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa） Fragment：UNP residues 21-119
Mutation：D76A PGE TRIETHYLENE GLYCOL × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；21% PEG4000, 15% glycerol, 0.2 M ammonium acetate, 0.1 M sodium acetate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.40 Å R-free 0.213
4U1H HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes Deposited 2014-07-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: Trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 11 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；22% PEG 4000 and 0.2 M ammonium sulphate, 0.1M sodium acetate
Resolution 1.59 Å R-free 0.194
4U1I HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes Deposited 2014-07-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: Trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 6 GOL GLYCEROL × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；0.1 M HEPES pH 7.0, 20% PEG 4000 and 0.2 M ammonium sulphate
Resolution 1.92 Å R-free 0.207
4U1J HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes Deposited 2014-07-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: Trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；10% PEG 6000, 10mM magnesium chloride
Resolution 1.38 Å R-free 0.196
4U1K HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes Deposited 2014-07-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: Trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 3 EDO 1,2-ETHANEDIOL × 3 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；0.1 M Sodium Cacodylate, pH 6, 15% PEG 8000, 15% Glycerol
Resolution 2.09 Å R-free 0.226
4U1K HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes Deposited 2014-07-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: Trimeric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 5 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；0.1 M Sodium Cacodylate, pH 6, 15% PEG 8000, 15% Glycerol
Resolution 2.09 Å R-free 0.226
4U1L HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes Deposited 2014-07-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: Trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 6 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；0.1 M TRIS pH 8.0, 15% PEG 4000 and 15% glycerol
Resolution 2.06 Å R-free 0.209
4U1L HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes Deposited 2014-07-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: Trimeric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；0.1 M TRIS pH 8.0, 15% PEG 4000 and 15% glycerol
Resolution 2.06 Å R-free 0.209
4U1M HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes Deposited 2014-07-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：Beta 2 Microglobulin
Not recorded EDO 1,2-ETHANEDIOL × 26 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；10% PEG 6000, 10mM magnesium chloride
Resolution 1.18 Å R-free 0.180
4U1N HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes Deposited 2014-07-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: TRIMERIC
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 12 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；10% PEG 6000, 10mM magnesium chloride
Resolution 1.77 Å R-free 0.199
4U1S HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes Deposited 2014-07-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: Trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 12 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；0.2 M Lithium Chloride, pH 8, 20% PEG 6000
Resolution 1.76 Å R-free 0.207
4U6X Crystal Structure of HLA-A*0201 in complex with ALQDA, a 15 mer self-peptide Deposited 2014-07-30 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded CL CHLORIDE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 3 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 7.5；277 K；18-22.5% PEG 3350, Hepes pH 7.5, 0.1M MgCl2
Resolution 1.68 Å R-free 0.202
4U6Y Crystal Structure of HLA-A*0201 in complex with FLNDK, a 15 mer self-peptide Deposited 2014-07-30 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 7.5；277 K；18-225 PEG 3350, Hepes pH 7.5, 0.1M MgCl2
Resolution 1.47 Å R-free 0.189
4UQ2 Crystal structure of HLA-A1101 in complex with an azobenzene- containing peptide Deposited 2014-06-19 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions 0.2 M AMMONIUM SULFATE, 15% W/V PEG4000, 0.1M TRI-SODIUM CITRATE PH5.6
Resolution 2.43 Å R-free 0.251
4UQ2 Crystal structure of HLA-A1101 in complex with an azobenzene- containing peptide Deposited 2014-06-19 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions 0.2 M AMMONIUM SULFATE, 15% W/V PEG4000, 0.1M TRI-SODIUM CITRATE PH5.6
Resolution 2.43 Å R-free 0.251
4UQ3 Crystal structure of HLA-A0201 in complex with an azobenzene- containing peptide Deposited 2014-06-19 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded IPA ISOPROPYL ALCOHOL × 4 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å R-free 0.221
4UQ3 Crystal structure of HLA-A0201 in complex with an azobenzene- containing peptide Deposited 2014-06-19 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded IPA ISOPROPYL ALCOHOL × 4 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å R-free 0.221
4WDI Weak TCR binding to an unstable insulin epitope drives type 1 diabetes Deposited 2014-09-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：Human beta2-microglobulin, residues 21-219
Not recorded EDO 1,2-ETHANEDIOL × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；20% PEG 3350, 0.2 M Sodium malonate, and 0.1 M Bis-Tris Propane, pH 6.5
Resolution 2.31 Å R-free 0.283
4WDI Weak TCR binding to an unstable insulin epitope drives type 1 diabetes Deposited 2014-09-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：Human beta2-microglobulin, residues 21-219
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；20% PEG 3350, 0.2 M Sodium malonate, and 0.1 M Bis-Tris Propane, pH 6.5
Resolution 2.31 Å R-free 0.283
4WJ5 Structure of HLA-A2 in complex with an altered peptide ligands based on Mart-1 variant epitope Deposited 2014-09-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Mutation：Methionine residue is introduced as start codon GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；295 K；Good diffracting crystals were obtained by streak seeding
Resolution 1.65 Å R-free 0.179
4WJ5 Structure of HLA-A2 in complex with an altered peptide ligands based on Mart-1 variant epitope Deposited 2014-09-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Mutation：Methionine residue is introduced as start codon GOL GLYCEROL × 9 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；295 K；Good diffracting crystals were obtained by streak seeding
Resolution 1.65 Å R-free 0.179
4WO4 The molecular bases of Delta/Alpha beta T cell-mediated antigen recognition. Deposited 2014-10-15 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded JLS (15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.1；293 K；27% PEG1500 0.1M Sodium Malonate-imidazole-borate (2:3:3 molar ratio) 3% PEG3350
Resolution 2.50 Å R-free 0.237
4WU5 HLA-A24 in complex with HIV-1 Nef134-8(wt) Deposited 2014-10-31 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG 3350, 200 mM sodium nitrate
Resolution 2.40 Å R-free 0.271
4WU5 HLA-A24 in complex with HIV-1 Nef134-8(wt) Deposited 2014-10-31 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG 3350, 200 mM sodium nitrate
Resolution 2.40 Å R-free 0.271
4WU7 HLA-A24 in complex with HIV-1 Nef134-8(2F) Deposited 2014-10-31 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；200mM sodium nitrate, 20%PEG3350
Resolution 2.30 Å R-free 0.287
4WU7 HLA-A24 in complex with HIV-1 Nef134-8(2F) Deposited 2014-10-31 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；200mM sodium nitrate, 20%PEG3350
Resolution 2.30 Å R-free 0.287
4WUU Structure of ESK1 in complex with HLA-A*0201/WT1 Deposited 2014-11-03 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.25；291 K；0.1 M Bis-Tris HCl pH 5.5, 25 percent PEG 3350
Resolution 3.05 Å R-free 0.254
4WW2 Crystal structure of human TCR Alpha Chain-TRAV21-TRAJ8, Beta Chain-TRBV7-8, Antigen-presenting glycoprotein CD1d, and Beta-2-microglobulin Deposited 2014-11-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 JLS (15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；9-10% PEG 6K 0.1M MES 6.0 4% Ethylene Glycol
Resolution 2.48 Å R-free 0.244
4WWK Crystal structure of human TCR Alpha Chain-TRAV12-3, Beta Chain-TRBV6-5, Antigen-presenting molecule CD1d, and Beta-2-microglobulin Deposited 2014-11-11 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 1–119（119 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 JLS (15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.5；293 K；18% PEG8000 0.1M CHES 9.5
Resolution 3.10 Å R-free 0.256
4X6C CD1a ternary complex with lysophosphatidylcholine and BK6 TCR Deposited 2014-12-08 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 42H (4R,7R,18Z)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；sodium citrate, bis-tris propane, PEG 3350
Resolution 2.80 Å R-free 0.236
4X6C CD1a ternary complex with lysophosphatidylcholine and BK6 TCR Deposited 2014-12-08 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 42H (4R,7R,18Z)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；sodium citrate, bis-tris propane, PEG 3350
Resolution 2.80 Å R-free 0.236
4X6D CD1a ternary complex with endogenous lipids and BK6 TCR Deposited 2014-12-08 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded OLA OLEIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；sodium citrate, bis-tris propane, PEG 3350
Resolution 2.98 Å R-free 0.229
4X6D CD1a ternary complex with endogenous lipids and BK6 TCR Deposited 2014-12-08 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa）
Not recorded PAM PALMITOLEIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；sodium citrate, bis-tris propane, PEG 3350
Resolution 2.98 Å R-free 0.229
4X6E CD1a binary complex with lysophosphatidylcholine Deposited 2014-12-08 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded MLT D-MALATE × 1 42H (4R,7R,18Z)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；20 mM DL-malic acid, 40 mM MES, 40 mM tris, PEG 1500
Resolution 2.10 Å R-free 0.234
4X6F CD1a binary complex with sphingomyelin Deposited 2014-12-08 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded 3XU (4S,7S,23Z)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont- 23-en-1-aminium 4-oxide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；20 mM DL-malic acid, 40 mM MES, 40 mM tris, PEG 1500
Resolution 1.91 Å R-free 0.224
4XXC HLA-B*1801 in complex with a self-peptide, DELEIKAY Deposited 2015-01-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 5.6；273 K；14-20% PEG 4K, 0.2 M NH4Ac
Resolution 1.43 Å R-free 0.235
4Z76 Weak TCR binding to an unstable insulin epitope drives type 1 diabetes Deposited 2015-04-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 5 GOL GLYCEROL × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；291 K；G9V crystals were grown in 20% PEG 6000, 0.2 M calcium chloride, 0.1 M Tris propane pH 8.0
Resolution 1.88 Å R-free 0.230
4Z76 Weak TCR binding to an unstable insulin epitope drives type 1 diabetes Deposited 2015-04-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；291 K；G9V crystals were grown in 20% PEG 6000, 0.2 M calcium chloride, 0.1 M Tris propane pH 8.0
Resolution 1.88 Å R-free 0.230
4Z77 Weak TCR binding to an unstable insulin epitope drives type 1 diabetes Deposited 2015-04-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 4 15P POLYETHYLENE GLYCOL (N=34) × 1 EDO 1,2-ETHANEDIOL × 7 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291 K；20% PEG 6000, 0.2 M calcium chloride, 0.1 M Tris propane pH 8.0
Resolution 1.85 Å R-free 0.253
4Z77 Weak TCR binding to an unstable insulin epitope drives type 1 diabetes Deposited 2015-04-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 3 15P POLYETHYLENE GLYCOL (N=34) × 2 EDO 1,2-ETHANEDIOL × 5 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291 K；20% PEG 6000, 0.2 M calcium chloride, 0.1 M Tris propane pH 8.0
Resolution 1.85 Å R-free 0.253
4Z78 Weak TCR binding to an unstable insulin epitope drives type 1 diabetes Deposited 2015-04-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 3 GOL GLYCEROL × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291 K；4% PEG 4000, 0.1 M sodium acetate pH 4.6
Resolution 2.30 Å R-free 0.233
4Z78 Weak TCR binding to an unstable insulin epitope drives type 1 diabetes Deposited 2015-04-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291 K；4% PEG 4000, 0.1 M sodium acetate pH 4.6
Resolution 2.30 Å R-free 0.233
4Z78 Weak TCR binding to an unstable insulin epitope drives type 1 diabetes Deposited 2015-04-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291 K；4% PEG 4000, 0.1 M sodium acetate pH 4.6
Resolution 2.30 Å R-free 0.233
5B38 KIR3DL1*005 in complex with HLA-B*57:01 Deposited 2016-02-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；294 K；14 to 18% PEG 3350, 2% tacsimate pH 5.0, 0.1 M tri-sodium citrate pH 5.6
Resolution 2.30 Å R-free 0.251
5B39 KIR3DL1*015 in complex with HLA-B*57:01 Deposited 2016-02-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；294 K；14 to 18% PEG 3350, 2% tacsimate pH 5.0, 0.1 M tri-sodium citrate pH 5.6
Resolution 2.50 Å R-free 0.229
5BJT Crystal structure of human FcRn with a peptide inhibitor at multiple sites Deposited 2016-10-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.7；277 K；1.6 M ammonium sulfate, 20% glycerol, 0.8 M sodium acetate
Resolution 3.20 Å R-free 0.339
5BJT Crystal structure of human FcRn with a peptide inhibitor at multiple sites Deposited 2016-10-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.7；277 K；1.6 M ammonium sulfate, 20% glycerol, 0.8 M sodium acetate
Resolution 3.20 Å R-free 0.339
5BJT Crystal structure of human FcRn with a peptide inhibitor at multiple sites Deposited 2016-10-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.7；277 K；1.6 M ammonium sulfate, 20% glycerol, 0.8 M sodium acetate
Resolution 3.20 Å R-free 0.339
5BJT Crystal structure of human FcRn with a peptide inhibitor at multiple sites Deposited 2016-10-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.7；277 K；1.6 M ammonium sulfate, 20% glycerol, 0.8 M sodium acetate
Resolution 3.20 Å R-free 0.339
5BRZ MAGE-A3 reactive TCR in complex with MAGE-A3 in HLA-A1 Deposited 2015-06-01 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2M ammonium chloride, 0.1M HEPES pH7, 15% PEG 8000
Resolution 2.62 Å R-free 0.268
5BS0 MAGE-A3 Reactive TCR in complex with Titin Epitope in HLA-A1 Deposited 2015-06-01 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 SO4 SULFATE ION × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.2M Ammonium Chloride, 0.1M MES, 20% PEG 4000
Resolution 2.40 Å R-free 0.262
5BXF Apo FcRn Structure at pH 4.5 Deposited 2015-06-08 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–119（119 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；.1M sodium citrate pH 4.5, 20% PEG (4000)
Resolution 2.85 Å R-free 0.314
5BXF Apo FcRn Structure at pH 4.5 Deposited 2015-06-08 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1–119（119 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；.1M sodium citrate pH 4.5, 20% PEG (4000)
Resolution 2.85 Å R-free 0.314
5C07 1E6 TCR in complex with HLA-A02 carrying YQFGPDFPIA Deposited 2015-06-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2M sodium cholride, 0.1M HEPES pH7, 20% PEG 3350
Resolution 2.11 Å R-free 0.237
5C07 1E6 TCR in complex with HLA-A02 carrying YQFGPDFPIA Deposited 2015-06-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 6 GOL GLYCEROL × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2M sodium cholride, 0.1M HEPES pH7, 20% PEG 3350
Resolution 2.11 Å R-free 0.237
5C08 1E6 TCR in Complex with HLA-A0e carrying RQWGPDPAAV Deposited 2015-06-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 12 GOL GLYCEROL × 3 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2M sodium cholride, 0.1M MES pH6, 20% PEG 6000
Resolution 2.33 Å R-free 0.272
5C08 1E6 TCR in Complex with HLA-A0e carrying RQWGPDPAAV Deposited 2015-06-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 13 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2M sodium cholride, 0.1M MES pH6, 20% PEG 6000
Resolution 2.33 Å R-free 0.272
5C09 HLA class I histocompatibility antigen Deposited 2015-06-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1M sodium cacodylate pH6.5, 15% PEG 4000, 0.2M sodium acetate
Resolution 2.48 Å R-free 0.259
5C09 HLA class I histocompatibility antigen Deposited 2015-06-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1M sodium cacodylate pH6.5, 15% PEG 4000, 0.2M sodium acetate
Resolution 2.48 Å R-free 0.259
5C0A 1E6 TCR in complex with HLA-A02 carrying MVW peptide Deposited 2015-06-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 5 SO4 SULFATE ION × 5 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1M HEPES pH7.5, 15% PEG 4000, 0.2M sodium acetate
Resolution 2.46 Å R-free 0.232
5C0A 1E6 TCR in complex with HLA-A02 carrying MVW peptide Deposited 2015-06-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 8 SO4 SULFATE ION × 3 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1M HEPES pH7.5, 15% PEG 4000, 0.2M sodium acetate
Resolution 2.46 Å R-free 0.232
5C0B 1E6 TCR in complex with HLA-A02 carrying RQFGPDFPTI Deposited 2015-06-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 30 GOL GLYCEROL × 3 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1M HEPES, pH 7.5, 15% PEG 4000, 0.2M sodium acetate
Resolution 2.03 Å R-free 0.231
5C0B 1E6 TCR in complex with HLA-A02 carrying RQFGPDFPTI Deposited 2015-06-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 25 GOL GLYCEROL × 3 SO4 SULFATE ION × 3 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1M HEPES, pH 7.5, 15% PEG 4000, 0.2M sodium acetate
Resolution 2.03 Å R-free 0.231
5C0C 1E6 TCR in complex with HLA-A02 carrying RQFGPDWIVA Deposited 2015-06-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 15 PG4 TETRAETHYLENE GLYCOL × 2 SO4 SULFATE ION × 4 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1M HEPES pH7, 15% PEG 4000, 0.2M sodium acetate
Resolution 1.97 Å R-free 0.227
5C0C 1E6 TCR in complex with HLA-A02 carrying RQFGPDWIVA Deposited 2015-06-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 18 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1M HEPES pH7, 15% PEG 4000, 0.2M sodium acetate
Resolution 1.97 Å R-free 0.227
5C0D HLA-A02 carrying AQWGPDPAAA Deposited 2015-06-12 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2M sodium malonate, 0.1M BIS TRIS propane, pH 6.5, 20% PEG3350
Resolution 1.68 Å R-free 0.214
5C0E HLA-A02 carrying YLGGPDFPTI Deposited 2015-06-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：RESIDUES 21-119
Not recorded BR BROMIDE ION × 1 EDO 1,2-ETHANEDIOL × 17 GOL GLYCEROL × 4 PG4 TETRAETHYLENE GLYCOL × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1M TRIS pH8, 25% PEG 4000, 15% glycerol
Resolution 1.49 Å R-free 0.179
5C0F HLA-A02 carrying RQWGPDPAAV Deposited 2015-06-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 18 GOL GLYCEROL × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 SO4 SULFATE ION × 4 ACY ACETIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1M TRIS, pH 8, 20% PEG 8000, 15% glycerol
Resolution 1.46 Å R-free 0.181
5C0G HLA-A02 carrying YLGGPDFPTI Deposited 2015-06-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 14 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2M sodium nitrate, 0.1M BIS TRIS propane pH6.5, 20% PEG 3350
Resolution 1.37 Å R-free 0.188
5C0I HAL-A02 carrying RQFGPDFPTI Deposited 2015-06-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 10 GOL GLYCEROL × 4 SO4 SULFATE ION × 2 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2M potassium/sodium tartrate, 0.1M BIS TRIS propane, pH 8.5, 20% PEG 3350
Resolution 1.53 Å R-free 0.191
5C0J HLA-A02 carrying RQFGPDWIVA Deposited 2015-06-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 11 SO4 SULFATE ION × 2 CA CALCIUM ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2M sodium sulphate, 0.1M BIS TRIS propane, pH 6.5, 20% PEG 3350
Resolution 1.64 Å R-free 0.214
5C9J Human CD1c with ligands in A' and F' channel Deposited 2015-06-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–118（98 aa）
Not recorded DAO LAURIC ACID × 2 STE STEARIC ACID × 1 GOL GLYCEROL × 4 PO4 PHOSPHATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；0.2M Magnesium chloride, 0.1M Tris pH 8, 10% PEG 8000, 1:1 protein to precipitant ratio.
Resolution 2.40 Å R-free 0.200
5CFH human beta-2 microglobulin double mutant W60G-Y63W Deposited 2015-07-08 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Mutation：W60G, Y63W No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；PEG 10000, HEPES
Resolution 1.49 Å R-free 0.230
5CKA Human beta-2 microglobulin double mutant W60G-N83V Deposited 2015-07-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa） Fragment：resideus 21-119
Mutation：W60G, N83V GOL GLYCEROL × 2 ACT ACETATE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1 M MES, 21% w/v PEG 4000, 15% glycerol, 0.2 M ammonium acetate
Resolution 1.70 Å R-free 0.226
5CKG Human beta-2 microglobulin mutant V85E Deposited 2015-07-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa） Fragment：RESIDUES 21-119
Mutation：V85E ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1 M sodium acetate, 30% w/v PEG 4000, 15% glycerol, 0.2 M ammonium acetate
Resolution 1.75 Å R-free 0.232
5CKG Human beta-2 microglobulin mutant V85E Deposited 2015-07-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 21–119（99 aa） Fragment：RESIDUES 21-119
Mutation：V85E ACT ACETATE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1 M sodium acetate, 30% w/v PEG 4000, 15% glycerol, 0.2 M ammonium acetate
Resolution 1.75 Å R-free 0.232
5CS7 The crystal structure of wt beta2-microglobulin at room temperature Deposited 2015-07-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；30% PEG 4000, 0.1M sodium acetate, 15% glycerol, 0.2M ammonium acetate
Resolution 2.10 Å R-free 0.238
5CSB The crystal structure of beta2-microglobulin D76N mutant at room temperature Deposited 2015-07-23 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa） Fragment：UNP residues 21-119
Mutation：D76N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；30% PEG 4000, 0.1M sodium acetate, 15% glycerol, 0.2M ammonium acetate
Resolution 1.72 Å R-free 0.223
5CSG The crystal structure of beta2-microglobulin R97Q mutant Deposited 2015-07-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa） Fragment：UNP residues 21-119
Mutation：R97Q ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；27% PEG 4000, 0.1 M sodium acetate, 15% glycerol, 0.2 M ammonium acetate
Resolution 1.50 Å R-free 0.225
5D2L Crystal structure of TCR C7 in complex with HCMV NLV epitope presented by HLA-A2 Deposited 2015-08-05 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；30% PEG 400, 0.1M Tris-HCl pH 8.5, 0.2M MgCl2
Resolution 3.51 Å R-free 0.355
5D2L Crystal structure of TCR C7 in complex with HCMV NLV epitope presented by HLA-A2 Deposited 2015-08-05 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain H 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；30% PEG 400, 0.1M Tris-HCl pH 8.5, 0.2M MgCl2
Resolution 3.51 Å R-free 0.355
5D2L Crystal structure of TCR C7 in complex with HCMV NLV epitope presented by HLA-A2 Deposited 2015-08-05 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain N 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；30% PEG 400, 0.1M Tris-HCl pH 8.5, 0.2M MgCl2
Resolution 3.51 Å R-free 0.355
5D2L Crystal structure of TCR C7 in complex with HCMV NLV epitope presented by HLA-A2 Deposited 2015-08-05 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；30% PEG 400, 0.1M Tris-HCl pH 8.5, 0.2M MgCl2
Resolution 3.51 Å R-free 0.355
5D2N Crystal structure of C25-NLV-HLA-A2 complex Deposited 2015-08-05 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded IMD IMIDAZOLE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；PEG3000, Imidazole, Calcium Acetate
Resolution 2.10 Å R-free 0.253
5D2N Crystal structure of C25-NLV-HLA-A2 complex Deposited 2015-08-05 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded IMD IMIDAZOLE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；PEG3000, Imidazole, Calcium Acetate
Resolution 2.10 Å R-free 0.253
5D5M Structure of human MR1-5-OP-RU in complex with human MAIT M33.64 TCR Deposited 2015-08-11 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；BTP, PEG 3350, NaAc
Resolution 2.20 Å R-free 0.222
5D5M Structure of human MR1-5-OP-RU in complex with human MAIT M33.64 TCR Deposited 2015-08-11 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 GOL GLYCEROL × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；BTP, PEG 3350, NaAc
Resolution 2.20 Å R-free 0.222
5D7I Structure of human MR1-Ac-6-FP in complex with human MAIT M33.64 TCR Deposited 2015-08-14 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded PRO PROLINE × 1 30W N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide × 1 GOL GLYCEROL × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；BTP, PEG 3350, NaAc
Resolution 2.00 Å R-free 0.220
5D7I Structure of human MR1-Ac-6-FP in complex with human MAIT M33.64 TCR Deposited 2015-08-14 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa）
Not recorded PRO PROLINE × 1 30W N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；BTP, PEG 3350, NaAc
Resolution 2.00 Å R-free 0.220
5D7J Structure of human MR1-5-OP-RU in complex with human MAIT M33.64(Y95alphaF) TCR Deposited 2015-08-14 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；BTP, PEG 3350, NaAc
Resolution 1.97 Å R-free 0.222
5D7J Structure of human MR1-5-OP-RU in complex with human MAIT M33.64(Y95alphaF) TCR Deposited 2015-08-14 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；BTP, PEG 3350, NaAc
Resolution 1.97 Å R-free 0.222
5D7L Structure of human MR1-5-OP-RU in complex with human MAV36 TCR Deposited 2015-08-14 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；BTP, PEG 3350, NaAc
Resolution 3.40 Å R-free 0.337
5D7L Structure of human MR1-5-OP-RU in complex with human MAV36 TCR Deposited 2015-08-14 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；BTP, PEG 3350, NaAc
Resolution 3.40 Å R-free 0.337
5D9S Structure of HLA-A2:01 with the 11-mer peptide F11V Deposited 2015-08-19 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；30% PEG 5000 MME, 0.1M Tris-HCl pH 8.0, 0.2M lithium sulfate
Resolution 1.87 Å R-free 0.223
5DDH Structure of HLA-A2:01 with the 12-mer peptide F12K Deposited 2015-08-24 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293.15 K；30% PEG 4000, 0.1M Tris-HCl 8.0, 0.2M lithium sulfate
Resolution 1.50 Å R-free 0.218
5DEF Crystal structure of B*27:04 complex bound to the pVIPR peptide Deposited 2015-08-25 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；28%(w/v) PEG 8000, 100 mM Tris-HCl pH 7.0
Resolution 1.60 Å R-free 0.174
5DEG Crystal structure of B*27:06 bound to the pVIPR peptide Deposited 2015-08-25 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；20%(w/v) PEG 8000, 100 mM Tris-HCl pH 7.0
Resolution 1.83 Å R-free 0.193
5E00 Structure of HLA-A2 P130 Deposited 2015-09-26 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.1mol/liter bis-Tris (pH 6.5), 20% (wt/vol) polyethylene glycol 3350
Resolution 1.70 Å R-free 0.205
5E6I Crystal structure of TCR PF8 in complex with flu MP(58-66) epitope presented by HLA-A2 Deposited 2015-10-09 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain J 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.1M immidazole pH8, 0.2M calcium acetate, 10%(v/v) PEG8000
Resolution 4.00 Å R-free 0.338
5E6I Crystal structure of TCR PF8 in complex with flu MP(58-66) epitope presented by HLA-A2 Deposited 2015-10-09 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.1M immidazole pH8, 0.2M calcium acetate, 10%(v/v) PEG8000
Resolution 4.00 Å R-free 0.338
5E6I Crystal structure of TCR PF8 in complex with flu MP(58-66) epitope presented by HLA-A2 Deposited 2015-10-09 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain N 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.1M immidazole pH8, 0.2M calcium acetate, 10%(v/v) PEG8000
Resolution 4.00 Å R-free 0.338
5E6I Crystal structure of TCR PF8 in complex with flu MP(58-66) epitope presented by HLA-A2 Deposited 2015-10-09 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain U 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.1M immidazole pH8, 0.2M calcium acetate, 10%(v/v) PEG8000
Resolution 4.00 Å R-free 0.338
5E9D RD-1 Mart-1 High bound to Mart-1 decameric peptide (ELA) in complex with HLA-A2 Deposited 2015-10-15 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；300 K；PEG 4000, 0.002 M Zinc Acetate, 5% 2- propanol.
Resolution 2.51 Å R-free 0.232
5E9D RD-1 Mart-1 High bound to Mart-1 decameric peptide (ELA) in complex with HLA-A2 Deposited 2015-10-15 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；300 K；PEG 4000, 0.002 M Zinc Acetate, 5% 2- propanol.
Resolution 2.51 Å R-free 0.232
5ENW Structure of HLA-A2:01 with peptide G9L Deposited 2015-11-09 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；30% PEG 4000, 0.1M Tris-HCl pH 8.0, 0.2M lithium sulfate
Resolution 1.85 Å R-free 0.244
5EO0 Crystal Structure of HLA-B0702-RFL9 Deposited 2015-11-10 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；18% PEG 4000 and 0.1 M Ammonium acetate, 0.1 M Na-cacodylate
Resolution 1.70 Å R-free 0.212
5EO1 Crystal Structure of HLA-B0702-RL9 Deposited 2015-11-10 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG4K, Ammonium acetate, Na-cacodylate
Resolution 1.85 Å R-free 0.259
5EOT Structure of HLA-A2:01 with peptide G13E Deposited 2015-11-10 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；30% PEG 5000 MME, 0.1M Tris-HCl pH 8.0, 0.2M lithium sulfate
Resolution 2.10 Å R-free 0.237
5EU3 HLA Class I antigen Deposited 2015-11-18 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；0.1 M Hepes pH 7.5, 0.2 M Ammonium Sulphate, 25 % PEG 4000
Resolution 1.97 Å R-free 0.255
5EU4 HLA Class I antigen Deposited 2015-11-18 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 4 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；0.1 M Tris pH 8.0, 15 % Glycerol, 20 % PEG 4000
Resolution 2.12 Å R-free 0.211
5EU4 HLA Class I antigen Deposited 2015-11-18 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；0.1 M Tris pH 8.0, 15 % Glycerol, 20 % PEG 4000
Resolution 2.12 Å R-free 0.211
5EU5 HLA Class I antigen Deposited 2015-11-18 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 18 GOL GLYCEROL × 10 SO4 SULFATE ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；294 K；0.1 M Hepes pH 7.5, 0.2 M Ammonium Sulphate, 25 % PEG 4000
Resolution 1.54 Å R-free 0.201
5EU6 HLA Class I antigen Deposited 2015-11-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 10 GOL GLYCEROL × 3 SO4 SULFATE ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；294 K；0.2 M sodium sulphate, 0.1 M Bis Tris propane pH 6.5, 20% w/v PEG 3350.
Resolution 2.02 Å R-free 0.222
5EUO PF6-M1-HLA-A2 Deposited 2015-11-18 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；PEG3350, Imidazole
Resolution 2.10 Å R-free 0.281
5EUO PF6-M1-HLA-A2 Deposited 2015-11-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded IMD IMIDAZOLE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；PEG3350, Imidazole
Resolution 2.10 Å R-free 0.281
5F7D Structure of HLA-A2:01 with peptide G11N Deposited 2015-12-07 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；30% PEG 4000, 0.1M Tris-HCl pH 8.0, 0.2M lithium sulfate
Resolution 2.30 Å R-free 0.257
5F9J Structure of HLA-A2:01 with peptide Y9L Deposited 2015-12-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–118（98 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；30% PEG 4000, 0.1M Tris-HCl pH 8.0, 0.2M lithium sulfate
Resolution 2.51 Å R-free 0.276
5FA3 Structure of HLA-A2:01 with peptide G9V Deposited 2015-12-10 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；30% PEG 4000, 0.1M Tris-HCl pH 8.0, 0.2 M lithium sulfate
Resolution 1.86 Å R-free 0.235
5FA4 Structure of HLA-A2:01 with peptide Y16R Deposited 2015-12-10 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；30% PEG 4000, 0.1M Tris-HCl pH 8.0, 0.1M lithium sulfate
Resolution 2.40 Å R-free 0.259
5FDW Structure of HLA-A2:01 with peptide Y10L Deposited 2015-12-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；30% PEG 4000, 0.1M Tris-HCl pH 8.0, 0.2M lithium sulfate
Resolution 2.70 Å R-free 0.285
5GR7 Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 37-1 Deposited 2016-08-08 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；0.1M Sodium citrate tribasic dihydrate pH 5.5, 16% w/v Polyethylene glycol 8000
Resolution 2.40 Å R-free 0.257
5GRD Crystal structure of 10-mer peptide from EBV in complex with HLA-A1101. Deposited 2016-08-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；290 K；0.2 M ammonium acetate, 0.1 M Sodium acetate trihydrate, 30% PEG4000
Resolution 1.80 Å R-free 0.226
5GRG Crystal structure of dual peptide from EBV in complex with HLA-A*11:01 Deposited 2016-08-11 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；290 K；0.1 M Ammonium acetate, 0.1 M Bis-Tris, 22% PEG 4000
Resolution 1.94 Å R-free 0.243
5GSB Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 37-3 Deposited 2016-08-15 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；0.1M Sodium citrate tribasic dihydrate pH 5.5 , 16% w v Polyethylene glycol 8000
Resolution 1.80 Å R-free 0.222
5GSD Crystal structure of LMP2 peptide from EBV in complex with HLA-A*11:01 Deposited 2016-08-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；290 K；0.2 M Ammonium acetate, 20% PEG4000
Resolution 2.30 Å R-free 0.273
5GSR Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide I5A Deposited 2016-08-17 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 20–119（100 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2 M Magnesium chloride hexahydrate, 0.1 M Sodium HEPES 7.5, 30 % v/v 2-Propanol
Resolution 2.20 Å R-free 0.231
5GSR Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide I5A Deposited 2016-08-17 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 20–119（100 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2 M Magnesium chloride hexahydrate, 0.1 M Sodium HEPES 7.5, 30 % v/v 2-Propanol
Resolution 2.20 Å R-free 0.231
5GSV Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 142-5 Deposited 2016-08-17 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；0.1M Sodium citrate tribasic dihydrate pH 5.0, 10% w/v Polyethylene glycol 6000
Resolution 2.00 Å R-free 0.252
5GSX Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 142-2 Deposited 2016-08-17 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；0.1M Sodium citrate tribasic dihydrate pH 5.0, 10% w/v Polyethylene glycol 6000
Resolution 2.50 Å R-free 0.242
5GSX Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 142-2 Deposited 2016-08-17 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；0.1M Sodium citrate tribasic dihydrate pH 5.0, 10% w/v Polyethylene glycol 6000
Resolution 2.50 Å R-free 0.242
5HGA HLA*A2402 complex with HIV nef138 Y2F-8mer mutant epitope Deposited 2016-01-08 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；291 K；0.1M MES monohydrate pH 6.5, 12% w/v Polyethylene glycol 20000
Resolution 2.20 Å R-free 0.250
5HGA HLA*A2402 complex with HIV nef138 Y2F-8mer mutant epitope Deposited 2016-01-08 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；291 K；0.1M MES monohydrate pH 6.5, 12% w/v Polyethylene glycol 20000
Resolution 2.20 Å R-free 0.250
5HGB HLA*A2402 complexed with HIV nef138 8mer epitope Deposited 2016-01-08 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；291 K；0.1 M MES monohydrate pH 6.5, 12% w/v Polyethylene glycol 20000
Resolution 2.40 Å R-free 0.218
5HGB HLA*A2402 complexed with HIV nef138 8mer epitope Deposited 2016-01-08 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；291 K；0.1 M MES monohydrate pH 6.5, 12% w/v Polyethylene glycol 20000
Resolution 2.40 Å R-free 0.218
5HGB HLA*A2402 complexed with HIV nef138 8mer epitope Deposited 2016-01-08 Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；291 K；0.1 M MES monohydrate pH 6.5, 12% w/v Polyethylene glycol 20000
Resolution 2.40 Å R-free 0.218
5HGB HLA*A2402 complexed with HIV nef138 8mer epitope Deposited 2016-01-08 Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain K 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；291 K；0.1 M MES monohydrate pH 6.5, 12% w/v Polyethylene glycol 20000
Resolution 2.40 Å R-free 0.218
5HGD HLA*A2402 complexed with HIV nef138 Y2F mutant 10mer epitope Deposited 2016-01-08 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.1 M MES monohydrate pH 6.5, 12% w/v Polyethylene glycol 20000
Resolution 2.07 Å R-free 0.224
5HGD HLA*A2402 complexed with HIV nef138 Y2F mutant 10mer epitope Deposited 2016-01-08 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.1 M MES monohydrate pH 6.5, 12% w/v Polyethylene glycol 20000
Resolution 2.07 Å R-free 0.224
5HGH HLA*A2402 complexed with HIV nef138 10mer epitope Deposited 2016-01-08 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.1 M MES monohydrate pH 6.5, 12% w/v Polyethylene glycol 20000
Resolution 2.39 Å R-free 0.222
5HHM Crystal Structure of the JM22 TCR in complex with HLA-A*0201 in complex with M1-F5L Deposited 2016-01-11 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；50mM Tris-HCl, 70mM NaCl, 16%PEG10K, 14% glycerol
Resolution 2.50 Å R-free 0.289
5HHM Crystal Structure of the JM22 TCR in complex with HLA-A*0201 in complex with M1-F5L Deposited 2016-01-11 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；50mM Tris-HCl, 70mM NaCl, 16%PEG10K, 14% glycerol
Resolution 2.50 Å R-free 0.289
5HHN Crystal Structure of HLA-A*0201 in complex with M1-F5L Deposited 2016-01-11 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；18-22% PEG 3350, Na citrate pH 6.5, 0.1M MgCl2
Resolution 2.03 Å R-free 0.215
5HHO Crystal Structure of the JM22 TCR in complex with HLA-A*0201 in complex with M1-G4E Deposited 2016-01-11 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；50mM Tris-HCl, 70mM NaCl, 16%PEG10K, 14% glycerol
Resolution 2.95 Å R-free 0.279
5HHP Crystal Structure of HLA-A*0201 in complex with M1-G4E Deposited 2016-01-11 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；18-22% PEG 3350, Na citrate pH 6.5, 0.1M MgCl2
Resolution 1.90 Å R-free 0.209
5HHQ Crystal Structure of HLA-A*0201 in complex with M1-L3W Deposited 2016-01-11 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；18-22% PEG 3350, Na citrate pH 6.5, 0.1M MgCl2
Resolution 2.10 Å R-free 0.227
5HYJ 1E6 TCR in Complex with HLA-A02 carrying AQWGPDPAAA Deposited 2016-02-01 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.2M sodium citrate, 0.1M BIS TRIS propane pH6.5, 20% PEG 3350
Resolution 3.06 Å R-free 0.293
5HYJ 1E6 TCR in Complex with HLA-A02 carrying AQWGPDPAAA Deposited 2016-02-01 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.2M sodium citrate, 0.1M BIS TRIS propane pH6.5, 20% PEG 3350
Resolution 3.06 Å R-free 0.293
5IB1 Crystal structure of HLA-B*27:05 complexed with the self-peptide pVIPR measured at 295 K Deposited 2016-02-22 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；0.1 M Tris HCl, 16% (w/v) PEG 8000
Resolution 1.91 Å R-free 0.192
5IB2 Crystal structure of HLA-B*27:05 complexed with the self-peptide pVIPR Deposited 2016-02-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K
Resolution 1.44 Å R-free 0.161
5IB3 Crystal structure of HLA-B*27:05 complexed with the self-peptide pVIPR and Copper Deposited 2016-02-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded CU COPPER (II) ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；0.1 M Tris HCl, 16% (w/v) PEG 8000
Resolution 1.91 Å R-free 0.204
5IB4 Crystal structure of HLA-B*27:05 complexed with the self-peptide pVIPR and Nickel Deposited 2016-02-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded NI NICKEL (II) ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；0.1 M Tris HCl, 16% (w/v) PEG 8000
Resolution 1.95 Å R-free 0.202
5IB5 Crystal structure of HLA-B*27:09 complexed with the self-peptide pVIPR and Copper Deposited 2016-02-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded CU COPPER (II) ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；0.1 M Tris HCl, 16% (w/v) PEG 8000
Resolution 2.49 Å R-free 0.272
5IB5 Crystal structure of HLA-B*27:09 complexed with the self-peptide pVIPR and Copper Deposited 2016-02-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded CU COPPER (II) ION × 3 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；0.1 M Tris HCl, 16% (w/v) PEG 8000
Resolution 2.49 Å R-free 0.272
5IEH Structure of HLA-B*40:02 in complex with the phosphorylated endogenous peptide REF(p)SKEPEL Deposited 2016-02-25 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；150 mM Tris 8.0, 20% PEG5K, 8% ethylene glycol
Resolution 1.50 Å R-free 0.183
5IEK Structure of HLA-B*40:02 in complex with the endogenous peptide REFSKEPEL Deposited 2016-02-25 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；150 mM Tris 8.5, 23% PEG8K, 70 mM potassium thiocyanate
Resolution 1.80 Å R-free 0.188
5IM7 Crystal structure of HLA-B5801, a protective HLA allele for HIV-1 infection Deposited 2016-03-05 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1M MES pH 6.5, 15% PEG4K, 20% 2-proponal
Resolution 2.50 Å R-free 0.233
5IM7 Crystal structure of HLA-B5801, a protective HLA allele for HIV-1 infection Deposited 2016-03-05 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1M MES pH 6.5, 15% PEG4K, 20% 2-proponal
Resolution 2.50 Å R-free 0.233
5INC Crystal structure of HLA-B5801, a protective HLA allele for HIV-1 infection Deposited 2016-03-07 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；291
Resolution 2.88 Å R-free 0.248
5INC Crystal structure of HLA-B5801, a protective HLA allele for HIV-1 infection Deposited 2016-03-07 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；291
Resolution 2.88 Å R-free 0.248
5IND Crystal structure of HLA-B5801, a protective HLA allele for HIV-1 infection Deposited 2016-03-07 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1M MES pH 6.5, 15% PEG4K, 20% 2-proponal
Resolution 2.13 Å R-free 0.229
5IND Crystal structure of HLA-B5801, a protective HLA allele for HIV-1 infection Deposited 2016-03-07 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1M MES pH 6.5, 15% PEG4K, 20% 2-proponal
Resolution 2.13 Å R-free 0.229
5IRO Crystal structure of a complex between the Human adenovirus type 4 E3-19K protein and MHC class molecule HLA-A2/TAX Deposited 2016-03-14 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；291 K；1.5M (NH4)2SO4,0.1M Bis-Tris pH6.5, 0.1MNaCI
Resolution 2.64 Å R-free 0.288
5IRO Crystal structure of a complex between the Human adenovirus type 4 E3-19K protein and MHC class molecule HLA-A2/TAX Deposited 2016-03-14 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；291 K；1.5M (NH4)2SO4,0.1M Bis-Tris pH6.5, 0.1MNaCI
Resolution 2.64 Å R-free 0.288
5IRO Crystal structure of a complex between the Human adenovirus type 4 E3-19K protein and MHC class molecule HLA-A2/TAX Deposited 2016-03-14 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain K 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；291 K；1.5M (NH4)2SO4,0.1M Bis-Tris pH6.5, 0.1MNaCI
Resolution 2.64 Å R-free 0.288
5IRO Crystal structure of a complex between the Human adenovirus type 4 E3-19K protein and MHC class molecule HLA-A2/TAX Deposited 2016-03-14 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain O 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；291 K；1.5M (NH4)2SO4,0.1M Bis-Tris pH6.5, 0.1MNaCI
Resolution 2.64 Å R-free 0.288
5IRO Crystal structure of a complex between the Human adenovirus type 4 E3-19K protein and MHC class molecule HLA-A2/TAX Deposited 2016-03-14 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain S 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；291 K；1.5M (NH4)2SO4,0.1M Bis-Tris pH6.5, 0.1MNaCI
Resolution 2.64 Å R-free 0.288
5IRO Crystal structure of a complex between the Human adenovirus type 4 E3-19K protein and MHC class molecule HLA-A2/TAX Deposited 2016-03-14 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain W 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；291 K；1.5M (NH4)2SO4,0.1M Bis-Tris pH6.5, 0.1MNaCI
Resolution 2.64 Å R-free 0.288
5ISZ Crystal structure of LS01-TCR/M1-HLA-A*02 complex Deposited 2016-03-15 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 22–119（98 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；14% (w/v) PEG 4000, 100 mM Na-HEPES pH 7.0, 200 mM ammonium sulfate
Resolution 2.06 Å R-free 0.200
5IUE Human leukocyte antigen F (HLA-F) presents peptides and regulates immunity through interactions with NK-cell receptors Deposited 2016-03-17 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 19–119（101 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 10000, tris-HCl
Resolution 2.62 Å R-free 0.241
5IUE Human leukocyte antigen F (HLA-F) presents peptides and regulates immunity through interactions with NK-cell receptors Deposited 2016-03-17 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 19–119（101 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 10000, tris-HCl
Resolution 2.62 Å R-free 0.241
5IUE Human leukocyte antigen F (HLA-F) presents peptides and regulates immunity through interactions with NK-cell receptors Deposited 2016-03-17 Different construct Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 19–119（101 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 10000, tris-HCl
Resolution 2.62 Å R-free 0.241
5IUE Human leukocyte antigen F (HLA-F) presents peptides and regulates immunity through interactions with NK-cell receptors Deposited 2016-03-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain J 19–119（101 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 10000, tris-HCl
Resolution 2.62 Å R-free 0.241
5J1A Antigen presenting molecule Deposited 2016-03-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–119（119 aa）
Not recorded 6F8 3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；20-25% PEG 1500 / 10% MMT buffer pH 5-6
Resolution 1.86 Å R-free 0.217
5JHD Crystal structure of LS10-TCR/M1-HLA-A*02 complex Deposited 2016-04-20 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded EDT {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；294 K；10%(W/V) PEG8000, 100mM Tris-Cl, 200mM Magnesium chloirde
Resolution 2.46 Å R-free 0.223
5JHD Crystal structure of LS10-TCR/M1-HLA-A*02 complex Deposited 2016-04-20 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded EDT {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；294 K；10%(W/V) PEG8000, 100mM Tris-Cl, 200mM Magnesium chloirde
Resolution 2.46 Å R-free 0.223
5JZI Crystal structure of 1406 TCR bound to HLA-A2 with HCV 1406-1415 antigen peptide Deposited 2016-05-16 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.1；298 K；13% PEG 3350, 0.1M Sodium Cacodylate, 0.2m Ammonium Sulfate, 3% w/v 1,5-Diaminopentane dihydrochloride
Resolution 2.50 Å R-free 0.232
5JZI Crystal structure of 1406 TCR bound to HLA-A2 with HCV 1406-1415 antigen peptide Deposited 2016-05-16 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.1；298 K；13% PEG 3350, 0.1M Sodium Cacodylate, 0.2m Ammonium Sulfate, 3% w/v 1,5-Diaminopentane dihydrochloride
Resolution 2.50 Å R-free 0.232
5KNM Human leukocyte antigen F (HLA-F) presents peptides and regulates immunity through interactions with NK-cell receptors Deposited 2016-06-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP rrsidues 21-119
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；27% PEG 550 MME .1 M Tris-HCl 300 mM NaCl
Resolution 3.30 Å R-free 0.326
5L2J Crystal Structure of human CD1b in complex with C36-GMM Deposited 2016-08-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–118（98 aa）
Not recorded 6UL TETRACOSYL PALMITATE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ACT ACETATE ION × 2 CL CHLORIDE ION × 2 70E 6-O-[(2R,3R)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-L-idopyranose × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；20-30 PEG 4000, 0.2M NaI, 2% EG
Resolution 1.65 Å R-free 0.199
5L2K Crystal structure of GEM42 TCR-CD1b-GMM complex Deposited 2016-08-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–118（98 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 SO4 SULFATE ION × 5 CL CHLORIDE ION × 4 NA SODIUM ION × 2 6UL TETRACOSYL PALMITATE × 1 CS CESIUM ION × 1 70E 6-O-[(2R,3R)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-L-idopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；1.5-2M NH4SO4, 0.1M Tris-HCl pH8.5, 10mM MgCl2, 10mM CeCl2
Resolution 3.20 Å R-free 0.239
5L2K Crystal structure of GEM42 TCR-CD1b-GMM complex Deposited 2016-08-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: hexadecameric
Chain B 21–118（98 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 12 SO4 SULFATE ION × 20 CL CHLORIDE ION × 16 NA SODIUM ION × 8 6UL TETRACOSYL PALMITATE × 4 CS CESIUM ION × 4 70E 6-O-[(2R,3R)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-L-idopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；1.5-2M NH4SO4, 0.1M Tris-HCl pH8.5, 10mM MgCl2, 10mM CeCl2
Resolution 3.20 Å R-free 0.239
5MEN Human Leukocyte Antigen A02 presenting ILAKFLHWL, in complex with cognate T-Cell Receptor Deposited 2016-11-16 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 5 GOL GLYCEROL × 1 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M ammonium sulphate, 0.1M HEPES pH7, 20% PEG 8000
Resolution 2.81 Å R-free 0.272
5MEO Human Leukocyte Antigen presenting ILGKFLHRL Deposited 2016-11-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 15 GOL GLYCEROL × 4 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M ammonium sulphate, 0.1 M Tris pH 7.5, 25% PEG 8000
Resolution 1.77 Å R-free 0.214
5MEP Human Leukocyte Antigen A02 presenting ILGKFLHWL Deposited 2016-11-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 6 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M ammonium sulphate, 0.1M MES pH7, 15% PEG 8000
Resolution 2.71 Å R-free 0.239
5MEP Human Leukocyte Antigen A02 presenting ILGKFLHWL Deposited 2016-11-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M ammonium sulphate, 0.1M MES pH7, 15% PEG 8000
Resolution 2.71 Å R-free 0.239
5MEQ Human Leukocyte Antigen A02 presenting ILAKFLHTL Deposited 2016-11-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M ammonium sulphate, 0.1M HEPES pH7, 20% PEG 8000
Resolution 2.27 Å R-free 0.264
5MER Human Leukocyte Antigen A02 presenting ILAKFLHEL Deposited 2016-11-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 10 CA CALCIUM ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 SO4 SULFATE ION × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M ammonium sulphate, 0.1M MES pH7, 25% PEG 8000
Resolution 1.88 Å R-free 0.224
5MER Human Leukocyte Antigen A02 presenting ILAKFLHEL Deposited 2016-11-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 10 CA CALCIUM ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 SO4 SULFATE ION × 7 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M ammonium sulphate, 0.1M MES pH7, 25% PEG 8000
Resolution 1.88 Å R-free 0.224
5N1Y HLA-A02 carrying MVWGPDPLYV Deposited 2017-02-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 10 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M ammonium chloride, 0.1M TRIS pH8, 20% PEG 6000
Resolution 1.39 Å R-free 0.201
5N6B Human Leukocyte Antigen Class I A02 Carrying LLWNPGMAV Deposited 2017-02-14 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 7 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 2 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2M ammonium sulphate, 0.1M HEPES pH7, 20% PEG 4000
Resolution 1.71 Å R-free 0.214
5N6B Human Leukocyte Antigen Class I A02 Carrying LLWNPGMAV Deposited 2017-02-14 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 4 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2M ammonium sulphate, 0.1M HEPES pH7, 20% PEG 4000
Resolution 1.71 Å R-free 0.214
5NHT human 199.54-16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2 Deposited 2017-03-22 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa） Fragment：UNP Residues 25-300
Not recorded SCN THIOCYANATE ION × 1 K POTASSIUM ION × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；PEG3350 8 %, K Thiocyanate 0.1 M, Bis-Tris propane pH 6.5 0.1 M, protein concentration 3.5 mg/ml
Resolution 3.20 Å R-free 0.299
5NME 868 TCR in complex with HLA A02 presenting SLYNTVATL Deposited 2017-04-05 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 4 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Sodium Cacodylate, pH 6.0, 15% PEG 4000, 0.2 M Ammonium Sulphate
Resolution 2.94 Å R-free 0.263
5NME 868 TCR in complex with HLA A02 presenting SLYNTVATL Deposited 2017-04-05 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 4 SO4 SULFATE ION × 4 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Sodium Cacodylate, pH 6.0, 15% PEG 4000, 0.2 M Ammonium Sulphate
Resolution 2.94 Å R-free 0.263
5NMF 868 TCR in complex with HLA A02 presenting SLYNTIATL Deposited 2017-04-05 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 5 GOL GLYCEROL × 2 SO4 SULFATE ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Sodium Cacodylate, pH 6.0, 15% PEG 4000, 0.2 M Ammonium Sulphate
Resolution 2.89 Å R-free 0.255
5NMF 868 TCR in complex with HLA A02 presenting SLYNTIATL Deposited 2017-04-05 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 14 GOL GLYCEROL × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Sodium Cacodylate, pH 6.0, 15% PEG 4000, 0.2 M Ammonium Sulphate
Resolution 2.89 Å R-free 0.255
5NMG 868 TCR in complex with HLA A02 presenting SLYFNTIAVL Deposited 2017-04-05 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 13 GOL GLYCEROL × 3 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Sodium Cacodylate, pH 5.5, 15% PEG 4000, 0.2 M Ammonium Sulphate
Resolution 2.75 Å R-free 0.254
5NMG 868 TCR in complex with HLA A02 presenting SLYFNTIAVL Deposited 2017-04-05 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 3 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Sodium Cacodylate, pH 5.5, 15% PEG 4000, 0.2 M Ammonium Sulphate
Resolution 2.75 Å R-free 0.254
5NMH HLA A02 presenting SLYNTIATL Deposited 2017-04-05 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 7 GOL GLYCEROL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Sodium Cacodylate, pH 6.0, 25% PEG 4000, 0.2 M Ammonium Sulphate
Resolution 1.55 Å R-free 0.196
5NMK HLA A02 presenting SLFNTIAVL Deposited 2017-04-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 9 GOL GLYCEROL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Sodium Cacodylate, pH 6.0, 25% PEG 4000, 0.2 M Ammonium Sulphate
Resolution 1.66 Å R-free 0.210
5NQ1 Porcine (Sus scrofa) Major Histocompatibility Complex, class I, with human beta2 micro globulin, presenting DFEREGYSL Deposited 2017-04-19 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；PACT screen, condition D02: 0.1M MMT Buffer, pH 5.0, 25% PEG1500
Resolution 2.14 Å R-free 0.283
5NQ1 Porcine (Sus scrofa) Major Histocompatibility Complex, class I, with human beta2 micro globulin, presenting DFEREGYSL Deposited 2017-04-19 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；PACT screen, condition D02: 0.1M MMT Buffer, pH 5.0, 25% PEG1500
Resolution 2.14 Å R-free 0.283
5NQ3 'Porcine (Sus scrofa) Major Histocompatibility Complex, class I, with human beta2 micro globulin, presenting EFEDLTFLA Deposited 2017-04-19 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；JBS screen, condition A07: 30% MPD, 100 mM Na Citrate, pH 5.6, 200 mM Ammonium Acetate
Resolution 1.57 Å R-free 0.262
5NQ3 'Porcine (Sus scrofa) Major Histocompatibility Complex, class I, with human beta2 micro globulin, presenting EFEDLTFLA Deposited 2017-04-19 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；JBS screen, condition A07: 30% MPD, 100 mM Na Citrate, pH 5.6, 200 mM Ammonium Acetate
Resolution 1.57 Å R-free 0.262
5NQK human 199.16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2 Deposited 2017-04-20 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa）
Not recorded NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；PEG3350 11%, bis-tris propane pH 6.5 0.1M, KNa tartrate 0.1M
Resolution 3.25 Å R-free 0.316
5OPI Crystal structure of the TAPBPR-MHC I peptide editing complex Deposited 2017-08-09 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291.15 K；19% PEG400, 5% poly-gamma-glutamic acid, and 450 mM sodium cacodylate pH 6.5
Resolution 3.30 Å R-free 0.303
5SWQ Crystal Structure of HLA-A*0201 in complex with NA231, an influenza epitope Deposited 2016-08-08 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；20%PEG6K, 0.1M Na-Citrate pH6.5, 0.2M NaCl
Resolution 2.00 Å R-free 0.258
5T6W HLA-B*57:01 presenting SSTRGISQLW Deposited 2016-09-01 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；12 -20 % PEG 4000, 0.2 M ammonium acetate and 0.1 M tri-sodium citrate pH 5.6
Resolution 1.90 Å R-free 0.263
5T6X HLA-B*57:01 presenting TSTTSVASSW Deposited 2016-09-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP resiudes 21-119
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；12 -20 % PEG 4000, 0.2 M ammonium acetate and 0.1 M tri-sodium citrate pH 5.6
Resolution 1.69 Å R-free 0.244
5T6Y HLA-B*57:01 presenting TSTFEDVKILAF Deposited 2016-09-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 3 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；12 -20 % PEG 4000, 0.2 M ammonium acetate and 0.1 M tri-sodium citrate pH 5.6
Resolution 1.76 Å R-free 0.219
5T6Z KIR3DL1 in complex with HLA-B*57:01-TW10 Deposited 2016-09-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；16% PEG 3350, 2% tacsimate pH 5.0 and 0.1M tri-sodium citrate pH 5.6
Resolution 2.00 Å R-free 0.240
5T70 KIR3DL1 in complex with HLA-B*57:01 presenting TSNLQEQIGW Deposited 2016-09-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；16% PEG 3350, 2% tacsimate pH 5.0 and 0.1M tri-sodium citrate pH 5.6
Resolution 2.10 Å R-free 0.225
5TEZ TCR F50 recgonizing M1-HLA-A2 Deposited 2016-09-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 20–119（100 aa） Fragment：UNP residues 20-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；PEG 3350, 0.1 M imidazole (pH 8.0), and 0.2 M sodium malonate
Resolution 1.70 Å R-free 0.224
5TRZ Crystal structure of MHC-I H2-KD complexed with peptides of Mycobacterial tuberculosis (YQSGLSIVM) Deposited 2016-10-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 3 EDO 1,2-ETHANEDIOL × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；14% PEG 4000, 0.1M MES buffer, 5% MPD
Resolution 2.25 Å R-free 0.198
5TS1 Crystal structure of MHC-I H2-KD complexed with peptides of Mycobacterial tuberculosis (YYQSGLSIV) Deposited 2016-10-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：residues 21-119
Not recorded GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；14% PEG 4000, 0.1M MES buffer, 5% MPD
Resolution 2.30 Å R-free 0.224
5TS1 Crystal structure of MHC-I H2-KD complexed with peptides of Mycobacterial tuberculosis (YYQSGLSIV) Deposited 2016-10-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa） Fragment：residues 21-119
Not recorded GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；14% PEG 4000, 0.1M MES buffer, 5% MPD
Resolution 2.30 Å R-free 0.224
5TS1 Crystal structure of MHC-I H2-KD complexed with peptides of Mycobacterial tuberculosis (YYQSGLSIV) Deposited 2016-10-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 21–119（99 aa） Fragment：residues 21-119
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；14% PEG 4000, 0.1M MES buffer, 5% MPD
Resolution 2.30 Å R-free 0.224
5TS1 Crystal structure of MHC-I H2-KD complexed with peptides of Mycobacterial tuberculosis (YYQSGLSIV) Deposited 2016-10-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa） Fragment：residues 21-119
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；14% PEG 4000, 0.1M MES buffer, 5% MPD
Resolution 2.30 Å R-free 0.224
5TXS Crystal structure of an anaplastic lymphoma kinase-derived neuroblastoma tumor antigen bound to the Human Major Histocompatibility Complex Class I molecule HLA-B*1501 Deposited 2016-11-17 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.1 M HEPES (6.5) 20% PEG 6000
Resolution 1.70 Å R-free 0.196
5U16 Structure of human MR1-2-OH-1-NA in complex with human MAIT A-F7 TCR Deposited 2016-11-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded 7WO 2-hydroxynaphthalene-1-carbaldehyde × 1 GOL GLYCEROL × 2 CL CHLORIDE ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；BTP, PEG 3350, NaAc
Resolution 2.00 Å R-free 0.219
5U16 Structure of human MR1-2-OH-1-NA in complex with human MAIT A-F7 TCR Deposited 2016-11-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded 7WO 2-hydroxynaphthalene-1-carbaldehyde × 1 GOL GLYCEROL × 3 CL CHLORIDE ION × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；BTP, PEG 3350, NaAc
Resolution 2.00 Å R-free 0.219
5U17 Structure of human MR1-DA-6-FP in complex with human MAIT A-F7 TCR Deposited 2016-11-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded 7WP 2,4-diaminopteridine-6-carbaldehyde × 1 GOL GLYCEROL × 4 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；BTP, PEG 3350, NaAc
Resolution 2.15 Å R-free 0.224
5U17 Structure of human MR1-DA-6-FP in complex with human MAIT A-F7 TCR Deposited 2016-11-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded 7WP 2,4-diaminopteridine-6-carbaldehyde × 1 GOL GLYCEROL × 5 ACT ACETATE ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；BTP, PEG 3350, NaAc
Resolution 2.15 Å R-free 0.224
5U1R Structure of human MR1-diclofenac in complex with human MAIT A-F7 TCR Deposited 2016-11-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NA SODIUM ION × 2 ACT ACETATE ION × 1 GOL GLYCEROL × 2 DIF 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；BTP, PEG 3350, NaAc
Resolution 2.70 Å R-free 0.237
5U1R Structure of human MR1-diclofenac in complex with human MAIT A-F7 TCR Deposited 2016-11-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded ACT ACETATE ION × 2 GOL GLYCEROL × 1 DIF 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；BTP, PEG 3350, NaAc
Resolution 2.70 Å R-free 0.237
5U2V Structure of human MR1-HMB in complex with human MAIT A-F7 TCR Deposited 2016-12-01 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded PRO PROLINE × 1 7WQ 2-hydroxy-5-methoxybenzaldehyde × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；BTP, PEG 3350, NaAc
Resolution 2.20 Å R-free 0.221
5U2V Structure of human MR1-HMB in complex with human MAIT A-F7 TCR Deposited 2016-12-01 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded 7WQ 2-hydroxy-5-methoxybenzaldehyde × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；BTP, PEG 3350, NaAc
Resolution 2.20 Å R-free 0.221
5U6Q Structure of human MR1-3-F-SA in complex with human MAIT A-F7 TCR Deposited 2016-12-08 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded 7ZS 3-methanoyl-2-oxidanyl-benzoic acid × 1 GOL GLYCEROL × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；BTP, PEG 3350, NaAc
Resolution 1.90 Å R-free 0.222
5U6Q Structure of human MR1-3-F-SA in complex with human MAIT A-F7 TCR Deposited 2016-12-08 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded 7ZS 3-methanoyl-2-oxidanyl-benzoic acid × 1 ACT ACETATE ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；BTP, PEG 3350, NaAc
Resolution 1.90 Å R-free 0.222
5U72 Structure of human MR1-5OH-DCF in complex with human MAIT A-F7 TCR Deposited 2016-12-10 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded ACT ACETATE ION × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；BTP, PEG 3350, NaAc
Resolution 2.50 Å R-free 0.231
5U72 Structure of human MR1-5OH-DCF in complex with human MAIT A-F7 TCR Deposited 2016-12-10 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded ACT ACETATE ION × 1 7ZV 5-hydroxydiclofenac × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；BTP, PEG 3350, NaAc
Resolution 2.50 Å R-free 0.231
5U98 The crystal structure of a self-peptide complexed to Abacavir and HLA-B*57:01 Deposited 2016-12-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded 1KX {(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；289 K；0.1M NACACODYLATE, 0.1MNAACETATE, 25% PEG 8,000, 15% GLYCEROL
Resolution 2.00 Å R-free 0.216
5U98 The crystal structure of a self-peptide complexed to Abacavir and HLA-B*57:01 Deposited 2016-12-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded 1KX {(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；289 K；0.1M NACACODYLATE, 0.1MNAACETATE, 25% PEG 8,000, 15% GLYCEROL
Resolution 2.00 Å R-free 0.216
5V5L Crystal structure of HLA-B*5801 complex with HIV-1 gag derived peptide TW10 Deposited 2017-03-14 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；290 K；15-20% w/v PEG 4000, 20% w/v 2-propanol, 0.1 M MES pH 6.5
Resolution 2.00 Å R-free 0.214
5V5L Crystal structure of HLA-B*5801 complex with HIV-1 gag derived peptide TW10 Deposited 2017-03-14 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；290 K；15-20% w/v PEG 4000, 20% w/v 2-propanol, 0.1 M MES pH 6.5
Resolution 2.00 Å R-free 0.214
5V5M Crystal structure of HLA-B*5701 complex with HIV-1 gag derived peptide TW10 Deposited 2017-03-14 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；290 K；15-20% w/v PEG 4000, 20% w/v 2-propanol, 0.1 M MES pH 6.5
Resolution 2.88 Å R-free 0.244
5V5M Crystal structure of HLA-B*5701 complex with HIV-1 gag derived peptide TW10 Deposited 2017-03-14 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；290 K；15-20% w/v PEG 4000, 20% w/v 2-propanol, 0.1 M MES pH 6.5
Resolution 2.88 Å R-free 0.244
5VGD Crystal Structure of HLA-C*0501 in complex with SAE Deposited 2017-04-11 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；1.8M NaMalonate pH7
Resolution 2.32 Å R-free 0.297
5VGE Crystal structure of HLA-C*07:02 in complex with RYR peptide Deposited 2017-04-11 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ZN ZINC ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；0.1 M HEPES pH 8.5 2 mM ZnSO4 28 % jeffamine ED-2001 (Hampton)
Resolution 2.60 Å R-free 0.221
5VUD HLA-B*57:01 presenting LSSPVTKSW Deposited 2017-05-19 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；12 -20 % PEG 4000, 0.2 M ammonium acetate and 0.1 M tri-sodium citrate pH 5.4
Resolution 2.00 Å R-free 0.209
5VUE HLA-B*57:01 presenting LTVQVARVW Deposited 2017-05-19 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；12 -20 % PEG 4000, 0.2 M ammonium acetate and 0.1 M tri-sodium citrate pH 5.4
Resolution 1.80 Å R-free 0.207
5VUF HLA-B*57:01 presenting LTVQVARVY Deposited 2017-05-19 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；12 -20 % PEG 4000, 0.2 M ammonium acetate and 0.1 M tri-sodium citrate pH 5.4
Resolution 1.90 Å R-free 0.216
5VVP HLA-B*57:03 presenting LSSPVTKSW Deposited 2017-05-19 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；12 -20 % PEG 4000, 0.2 M ammonium acetate and 0.1 M tri-sodium citrate pH 5.4
Resolution 2.00 Å R-free 0.202
5VWD HLA-B*57:03 presenting LTVQVARVW Deposited 2017-05-21 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；12 -20 % PEG 4000, 0.2 M ammonium acetate and 0.1 M tri-sodium citrate pH 5.4
Resolution 1.80 Å R-free 0.208
5VWF HLA-B*58:03 presenting LTVQVARVY Deposited 2017-05-21 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；12 -20 % PEG 4000, 0.2 M ammonium acetate and 0.1 M tri-sodium citrate pH 5.4
Resolution 1.80 Å R-free 0.196
5VWH HLA-B*58:01 presenting LSSPVTKSW Deposited 2017-05-21 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；12 -20 % PEG 4000, 0.2 M ammonium acetate and 0.1 M tri-sodium citrate pH 5.4
Resolution 1.65 Å R-free 0.199
5VWJ HLA-B*58:01 presenting LTVQVARVW Deposited 2017-05-22 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；12 -20 % PEG 4000, 0.2 M ammonium acetate and 0.1 M tri-sodium citrate pH 5.4
Resolution 2.00 Å R-free 0.214
5VZ5 Crystal structure of an anaplastic lymphoma kinase-derived neuroblastoma tumor antigen bound to the Human Major Histocompatibility Complex Class I molecule HLA-B*1501 Deposited 2017-05-26 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 7 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；295 K；0.1M Hepes (7.5) 2M Ammonium sulfate 2% PEG400
Resolution 2.59 Å R-free 0.265
5W1V Structure of the HLA-E-VMAPRTLIL/GF4 TCR complex Deposited 2017-06-04 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.2M K, Na tartrate, 20% PEG 3350
Resolution 3.31 Å R-free 0.268
5W1V Structure of the HLA-E-VMAPRTLIL/GF4 TCR complex Deposited 2017-06-04 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.2M K, Na tartrate, 20% PEG 3350
Resolution 3.31 Å R-free 0.268
5W1V Structure of the HLA-E-VMAPRTLIL/GF4 TCR complex Deposited 2017-06-04 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.2M K, Na tartrate, 20% PEG 3350
Resolution 3.31 Å R-free 0.268
5W1V Structure of the HLA-E-VMAPRTLIL/GF4 TCR complex Deposited 2017-06-04 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain Q 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.2M K, Na tartrate, 20% PEG 3350
Resolution 3.31 Å R-free 0.268
5W1W Structure of the HLA-E-VMAPRTLVL/GF4 TCR complex Deposited 2017-06-05 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.2 m Na.K tartrate, 20% PEG 3350
Resolution 3.10 Å R-free 0.263
5W1W Structure of the HLA-E-VMAPRTLVL/GF4 TCR complex Deposited 2017-06-05 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.2 m Na.K tartrate, 20% PEG 3350
Resolution 3.10 Å R-free 0.263
5W1W Structure of the HLA-E-VMAPRTLVL/GF4 TCR complex Deposited 2017-06-05 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.2 m Na.K tartrate, 20% PEG 3350
Resolution 3.10 Å R-free 0.263
5W1W Structure of the HLA-E-VMAPRTLVL/GF4 TCR complex Deposited 2017-06-05 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain Q 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.2 m Na.K tartrate, 20% PEG 3350
Resolution 3.10 Å R-free 0.263
5W67 HLA-C*06:02 presenting VRSRR(ABA)LRL Deposited 2017-06-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；0.1M Na acetate pH 4.5 and 1.8 M ammonium citrate
Resolution 2.30 Å R-free 0.235
5W69 HLA-C*06:02 presenting ARFNDLRFV Deposited 2017-06-16 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；0.1 M Tris pH 8.5, 0.2 M Na acetate and 20 % PEG 3350
Resolution 2.80 Å R-free 0.223
5W69 HLA-C*06:02 presenting ARFNDLRFV Deposited 2017-06-16 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；0.1 M Tris pH 8.5, 0.2 M Na acetate and 20 % PEG 3350
Resolution 2.80 Å R-free 0.223
5W69 HLA-C*06:02 presenting ARFNDLRFV Deposited 2017-06-16 Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；0.1 M Tris pH 8.5, 0.2 M Na acetate and 20 % PEG 3350
Resolution 2.80 Å R-free 0.223
5W69 HLA-C*06:02 presenting ARFNDLRFV Deposited 2017-06-16 Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；0.1 M Tris pH 8.5, 0.2 M Na acetate and 20 % PEG 3350
Resolution 2.80 Å R-free 0.223
5W6A HLA-C*06:02 presenting ARTELYRSL Deposited 2017-06-16 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；0.1 M Bis-Tris propane pH 7.0, 0.1 M Na fluoride and 20 % PEG 8000
Resolution 1.74 Å R-free 0.201
5W6A HLA-C*06:02 presenting ARTELYRSL Deposited 2017-06-16 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；0.1 M Bis-Tris propane pH 7.0, 0.1 M Na fluoride and 20 % PEG 8000
Resolution 1.74 Å R-free 0.201
5WER Crystal Structure of TAPBPR and H2-Dd complex Deposited 2017-07-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.8；291 K；1.0 M ammonium sulfate, 0.1 M TRIS pH 8.8, 0.2 M NaCl, 0.15-0.20 M sodium citrate, 2%-5% PEG 400
Resolution 3.41 Å R-free 0.269
5WER Crystal Structure of TAPBPR and H2-Dd complex Deposited 2017-07-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.8；291 K；1.0 M ammonium sulfate, 0.1 M TRIS pH 8.8, 0.2 M NaCl, 0.15-0.20 M sodium citrate, 2%-5% PEG 400
Resolution 3.41 Å R-free 0.269
5WER Crystal Structure of TAPBPR and H2-Dd complex Deposited 2017-07-10 Different construct Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa） Fragment：residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.8；291 K；1.0 M ammonium sulfate, 0.1 M TRIS pH 8.8, 0.2 M NaCl, 0.15-0.20 M sodium citrate, 2%-5% PEG 400
Resolution 3.41 Å R-free 0.269
5WER Crystal Structure of TAPBPR and H2-Dd complex Deposited 2017-07-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain K 21–119（99 aa） Fragment：residues 21-119
Not recorded GOL GLYCEROL × 1 1PE PENTAETHYLENE GLYCOL × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.8；291 K；1.0 M ammonium sulfate, 0.1 M TRIS pH 8.8, 0.2 M NaCl, 0.15-0.20 M sodium citrate, 2%-5% PEG 400
Resolution 3.41 Å R-free 0.269
5WHK Crystal structure of Fab fragment of antibody DX-2507 bound to FcRn-B2M Deposited 2017-07-17 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 1–119（119 aa）
Not recorded EDO 1,2-ETHANEDIOL × 2 NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；289 K；DX-2507 Fab FcRn B2M complex at 6.6 mg/mL at 70 uM against an optimization screen against JCSG+ A7 18% PEG 8000, 0.1 M CHES pH 9.8 with seeding from an earlier crystal obtained under similar conditions, supplemented with 20% ethylene glycol as cro-protectant
Resolution 2.50 Å R-free 0.225
5WJL Crystal Structure of HLA-A*11:01 with GTS1 peptide Deposited 2017-07-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；1.4-1.8M NH4SO4, 0.1M Na-cacodylate pH6.5, 200mM NaCl, 2% Ethylen glycol
Resolution 3.15 Å R-free 0.231
5WJL Crystal Structure of HLA-A*11:01 with GTS1 peptide Deposited 2017-07-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；1.4-1.8M NH4SO4, 0.1M Na-cacodylate pH6.5, 200mM NaCl, 2% Ethylen glycol
Resolution 3.15 Å R-free 0.231
5WJL Crystal Structure of HLA-A*11:01 with GTS1 peptide Deposited 2017-07-23 Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；1.4-1.8M NH4SO4, 0.1M Na-cacodylate pH6.5, 200mM NaCl, 2% Ethylen glycol
Resolution 3.15 Å R-free 0.231
5WJN Crystal Structure of HLA-A*11:01-GTS3 Deposited 2017-07-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded K POTASSIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；277 K；1.4-1.8M NH4SO4, 0.1M Na-cacodylate pH6.5, 200mM NaCl, 2% Ethylen glycol
Resolution 2.85 Å R-free 0.230
5WJN Crystal Structure of HLA-A*11:01-GTS3 Deposited 2017-07-23 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；277 K；1.4-1.8M NH4SO4, 0.1M Na-cacodylate pH6.5, 200mM NaCl, 2% Ethylen glycol
Resolution 2.85 Å R-free 0.230
5WJN Crystal Structure of HLA-A*11:01-GTS3 Deposited 2017-07-23 Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；277 K；1.4-1.8M NH4SO4, 0.1M Na-cacodylate pH6.5, 200mM NaCl, 2% Ethylen glycol
Resolution 2.85 Å R-free 0.230
5WKE Crystal Structure of Human CD1b in Complex with PS Deposited 2017-07-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded CUY tetracosyl octadecanoate × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EDO 1,2-ETHANEDIOL × 3 CL CHLORIDE ION × 7 P50 (19S,22S,25R)-25-amino-22-hydroxy-16,22,26-trioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate × 1 NA SODIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；27% PEG 3350, 0.2M Sodium Malonate
Resolution 1.69 Å R-free 0.239
5WKF D30 TCR in complex with HLA-A*11:01-GTS1 Deposited 2017-07-25 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；277 K；17%PEG8000, 2% Ethylen glycol, 0.1M HEPES pH7.5
Resolution 2.95 Å R-free 0.253
5WKF D30 TCR in complex with HLA-A*11:01-GTS1 Deposited 2017-07-25 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；277 K；17%PEG8000, 2% Ethylen glycol, 0.1M HEPES pH7.5
Resolution 2.95 Å R-free 0.253
5WKG Crystal Structure of Human CD1b in Complex with PA Deposited 2017-07-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 D21 (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate × 1 CUY tetracosyl octadecanoate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 CL CHLORIDE ION × 4 EDO 1,2-ETHANEDIOL × 1 IOD IODIDE ION × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；27% PET 3350, 0.2M Sodium malonate
Resolution 2.06 Å R-free 0.224
5WKH D30 TCR in complex with HLA-A*11:01-GTS3 Deposited 2017-07-25 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；277 K；17%PEG8000, 2% Ethylen glycol, 0.1M HEPES pH7.5
Resolution 3.20 Å R-free 0.246
5WKH D30 TCR in complex with HLA-A*11:01-GTS3 Deposited 2017-07-25 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；277 K；17%PEG8000, 2% Ethylen glycol, 0.1M HEPES pH7.5
Resolution 3.20 Å R-free 0.246
5WKI Crystal structure of PG90 TCR-CD1b-PG complex Deposited 2017-07-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded CUY tetracosyl octadecanoate × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EDO 1,2-ETHANEDIOL × 12 NA SODIUM ION × 2 D3D (19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate × 1 ACT ACETATE ION × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；12% PEG8K, 0.2M Zinc Acetate, 0.1M MES pH 6.2
Resolution 2.75 Å R-free 0.252
5WL1 Crystal Structure of Human CD1b in Complex with PG Deposited 2017-07-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded CUY tetracosyl octadecanoate × 1 IOD IODIDE ION × 1 CL CHLORIDE ION × 1 NA SODIUM ION × 2 EDO 1,2-ETHANEDIOL × 3 D3D (19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；26% PEG 3350, 0.2M Sodium Malonate
Resolution 1.38 Å R-free 0.206
5WMN Crystal Structure of HLA-B7 in complex with SPI, an influenza peptide Deposited 2017-07-30 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；18-24%PEG4000, 0.2 NH4 Acetate, 0.1M Na-cacodylate pH 6.5
Resolution 1.82 Å R-free 0.222
5WMN Crystal Structure of HLA-B7 in complex with SPI, an influenza peptide Deposited 2017-07-30 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；18-24%PEG4000, 0.2 NH4 Acetate, 0.1M Na-cacodylate pH 6.5
Resolution 1.82 Å R-free 0.222
5WMO Crystal Structure of HLA-B7 in complex with RPP, an EBV peptide Deposited 2017-07-30 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；18-24%PEG4000, 0.2 NH4 Acetate, 0.1M Na-cacodylate pH 6.5
Resolution 1.62 Å R-free 0.200
5WMP Crystal Structure of HLA-B7 in complex with TPR, a CMV peptide Deposited 2017-07-30 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded IOD IODIDE ION × 4 NA SODIUM ION × 1 CL CHLORIDE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；18-24%PEG4000, 0.2 NH4 Acetate, 0.1M Na-cacodylate pH 6.5
Resolution 1.60 Å R-free 0.199
5WMQ Crystal Structure of HLA-B8 in complex with ELR, an Influenza A virus peptide Deposited 2017-07-31 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；18-24%PEG4000, 0.2 NH4 Acetate, 0.1M Na-cacodylate pH 6.5
Resolution 1.40 Å R-free 0.216
5WMR Crystal Structure of HLA-B8 in complex with QIK, a CMV peptide Deposited 2017-07-31 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；18-24%PEG4000, 0.2 NH4 Acetate, 0.1M Na-cacodylate pH 6.5
Resolution 1.58 Å R-free 0.228
5WSH Structure of HLA-A2 P130 Deposited 2016-12-07 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1mol/L bis-tris(pH6.5), 20%(wt/vol) polyethylene glycol 3350
Resolution 2.00 Å R-free 0.196
5WWI Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 1) Deposited 2017-01-01 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 20–119（100 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；0.1 M MES monohydrate pH 6.0, 14% w/v Polyethylene glycol 4000
Resolution 3.19 Å R-free 0.309
5WWJ Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 1) Deposited 2017-01-01 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；0.1 M Imidazole pH 7.0, 12% w/v Polyethylene glycol 20000
Resolution 2.29 Å R-free 0.210
5WWJ Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 1) Deposited 2017-01-01 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；0.1 M Imidazole pH 7.0, 12% w/v Polyethylene glycol 20000
Resolution 2.29 Å R-free 0.210
5WWU Crystal Structure of HLA-A*2402 in complex with 2009 pandemic influenza A(H1N1) virus and avian influenza A(H5N1) virus-derived peptide H1-25 Deposited 2017-01-05 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；0.1 M MES monohydrate pH 6.0, 14% w/v Polyethylene glycol 4000
Resolution 2.79 Å R-free 0.284
5WXC Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 2) Deposited 2017-01-07 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 20–119（100 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；0.1 M MES monohydrate pH 6.0, 14% w/v Polyethylene glycol 4000
Resolution 2.29 Å R-free 0.224
5WXC Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 2) Deposited 2017-01-07 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 20–119（100 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；0.1 M MES monohydrate pH 6.0, 14% w/v Polyethylene glycol 4000
Resolution 2.29 Å R-free 0.224
5WXD Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 1) Deposited 2017-01-07 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 20–119（100 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；0.1 M Imidazole pH 7.0, 12% w/v Polyethylene glycol 20000
Resolution 3.29 Å R-free 0.254
5XOS Crystal structure of HLA-B35 in complex with a pepetide antigen Deposited 2017-05-31 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；288 K；0.1M MES monohydrate, pH 6.5, 12%(w/v) PEG20000
Resolution 1.70 Å R-free 0.184
5XOT Crystal structure of pHLA-B35 in complex with TU55 T cell receptor Deposited 2017-05-31 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；288 K；5% v/v Tacsimate pH 7.0, 0.1 M HEPES, pH 7.3, 10% w/v polyethylene glycol monomethyl either 5000
Resolution 2.79 Å R-free 0.254
5XOV Crystal structure of peptide-HLA-A24 bound to S19-2 V-delta/V-beta TCR Deposited 2017-05-31 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；288 K；5%(v/v) Tacsimate pH 7.0, 0.1M HEPES, pH 7.3, 10%(w/v) polyethylene glycol monomethyl either 5000
Resolution 2.68 Å R-free 0.245
5XOV Crystal structure of peptide-HLA-A24 bound to S19-2 V-delta/V-beta TCR Deposited 2017-05-31 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；288 K；5%(v/v) Tacsimate pH 7.0, 0.1M HEPES, pH 7.3, 10%(w/v) polyethylene glycol monomethyl either 5000
Resolution 2.68 Å R-free 0.245
6AEE Crystal structure of the four Ig-like domains of LILRB1 complexed with HLA-G Deposited 2018-08-04 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.2M imidazole malate, 15%(w/v) PEG4000, pH 6.0
Resolution 3.30 Å R-free 0.267
6AEE Crystal structure of the four Ig-like domains of LILRB1 complexed with HLA-G Deposited 2018-08-04 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.2M imidazole malate, 15%(w/v) PEG4000, pH 6.0
Resolution 3.30 Å R-free 0.267
6AM5 Crystal structure of DMF5 TCR bound to HLA-A2 presenting synthetic peptide SMLGIGIVPV Deposited 2017-08-09 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.1；298 K；13% PEG3350, 0.25 M magnesium chloride, 0.1 M Tris
Resolution 2.39 Å R-free 0.244
6AMT Human Class I MHC HLA-A2 in complex with synthetic peptide MMWDRGLGMM Deposited 2017-08-11 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；298 K；25% PEG1000, 0.01% sodium azide, 0.1 M MES
Resolution 2.50 Å R-free 0.249
6AMT Human Class I MHC HLA-A2 in complex with synthetic peptide MMWDRGLGMM Deposited 2017-08-11 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；298 K；25% PEG1000, 0.01% sodium azide, 0.1 M MES
Resolution 2.50 Å R-free 0.249
6AMU Crystal structure of DMF5 TCR bound to HLA-A2 presenting synthetic peptide MMWDRGLGMM Deposited 2017-08-11 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.9；298 K；18% PEG3350, 0.25 M magnesium chloride, 0.1 M HEPES
Resolution 2.15 Å R-free 0.226
6APN HLA-A*0201 single chain trimer with HPV.16 E7 peptide LLMGTLGIV Deposited 2017-08-17 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.1 M MES, pH 6,5, 25% PEG 2000 MME
Resolution 2.22 Å R-free 0.260
6APN HLA-A*0201 single chain trimer with HPV.16 E7 peptide LLMGTLGIV Deposited 2017-08-17 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.1 M MES, pH 6,5, 25% PEG 2000 MME
Resolution 2.22 Å R-free 0.260
6AT5 Crystal structure of HLA-B*07:02 in complex with an NY-ESO-1 peptide Deposited 2017-08-27 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–119（119 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.2 M NaCl and 20 % PEG 3350
Resolution 1.50 Å R-free 0.230
6AT9 Crystal structure of an anaplastic lymphoma kinase-derived neuroblastoma tumor antigen bound to the Human Major Histocompatibility Complex Class I molecule HLA-A*0101 Deposited 2017-08-28 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.18M MgCl2, 0.1M Na-HEPES(7.5),27%PEG400, 10%Glycerol
Resolution 2.95 Å R-free 0.307
6AVF Crystal structure of the KFJ5 TCR-NY-ESO-1-HLA-B*07:02 complex Deposited 2017-09-02 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain M 21–119（99 aa） Fragment：UNP residues 13-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.1 M MIB pH 7.0 and 25 % (w/v) PEG 1500
Resolution 2.03 Å R-free 0.256
6AVG Crystal structure of the KFJ37 TCR-NY-ESO-1-HLA-B*07:02 complex Deposited 2017-09-02 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain H 13–119（107 aa） Fragment：UNP residues 13-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；0.1 M BTP pH 8.8, 0.2 M Na-Iodide, 14 % w/v PEG 3350 and 2 % w/v PEG 20000
Resolution 2.60 Å R-free 0.248
6AVG Crystal structure of the KFJ37 TCR-NY-ESO-1-HLA-B*07:02 complex Deposited 2017-09-02 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 13–119（107 aa） Fragment：UNP residues 13-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；0.1 M BTP pH 8.8, 0.2 M Na-Iodide, 14 % w/v PEG 3350 and 2 % w/v PEG 20000
Resolution 2.60 Å R-free 0.248
6BJ2 TCR589 in complex with HIV(Pol448-456)/HLA-B35 Deposited 2017-11-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded ZN ZINC ION × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；295 K；0.1 M Tris, pH 8.0, 20% PEG3350, 0.002 M zinc chloride
Resolution 3.35 Å R-free 0.276
6BJ3 TCR55 in complex with HIV(Pol448-456)/HLA-B35 Deposited 2017-11-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 3 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；295 K；PEG4000, 0.1 M sodium cacodylate, pH 6.0, 0.2 M ammonium sulfate
Resolution 1.90 Å R-free 0.216
6BJ8 TCR55 in complex with Pep20/HLA-B35 Deposited 2017-11-05 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 27 PO4 PHOSPHATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；295 K；0.04 M potassium phosphate monobasic, 16% w/v PEG8000, 20% v/v glycerol
Resolution 1.75 Å R-free 0.183
6BXP Crystal Structure of HLA-B*57:01 with a modified HIV peptide RKV-Kyn Deposited 2017-12-18 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；18%PEG4000, 0.2M NH4 Ac, 0.1M NaCitrate
Resolution 1.45 Å R-free 0.194
6BXQ Crystal Structure of HLA-B*57:01 with an HIV peptide RKV Deposited 2017-12-18 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 21–119（99 aa） Fragment：residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；18%PEG4000, 0.2M NH4 Ac, 0.1M NaCitrate
Resolution 1.58 Å R-free 0.203
6C09 Ternary crystal structure of the 3C8 TCR-CD1c-monoacylglycerol complex Deposited 2017-12-28 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EKG (2R)-2,3-dihydroxypropyl hexadecanoate × 1 D10 DECANE × 2 K POTASSIUM ION × 3 EDO 1,2-ETHANEDIOL × 3 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；20% PEG 3350, 0.2M potassium thiocynate
Resolution 2.95 Å R-free 0.208
6C15 CD1c in complex with phosphatidylcholine Deposited 2018-01-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 D12 DODECANE × 1 6PL (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE × 1 NA SODIUM ION × 1 SO4 SULFATE ION × 1 BME BETA-MERCAPTOETHANOL × 1 EDO 1,2-ETHANEDIOL × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；10% Dioxane; 1.6 M Ammonium sulfate; 10 mM MES, pH 6.5
Resolution 3.21 Å R-free 0.242
6C97 Crystal structure of FcRn at pH3 Deposited 2018-01-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 3；289 K；APO FCRN CRYSTALS WERE PRODUCED BY SITTING DROP VAPOR DIFFUSION WITH AN EQUAL VOLUME COMBINATION OF THE PROTEIN COMPLEX, PROVIDED IN A PROTEIN SOLUTION CONTAINING 50MM HEPES PH 7.0 AND 75MM NACL, AND AN OPTIMIZATION SCREEN CONTAINING 0.1M CITRIC ACID/NAOH PH 3.01-3.09 AND 12-16% W/V PEG 6,000.
Resolution 2.00 Å R-free 0.210
6C97 Crystal structure of FcRn at pH3 Deposited 2018-01-25 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 3；289 K；APO FCRN CRYSTALS WERE PRODUCED BY SITTING DROP VAPOR DIFFUSION WITH AN EQUAL VOLUME COMBINATION OF THE PROTEIN COMPLEX, PROVIDED IN A PROTEIN SOLUTION CONTAINING 50MM HEPES PH 7.0 AND 75MM NACL, AND AN OPTIMIZATION SCREEN CONTAINING 0.1M CITRIC ACID/NAOH PH 3.01-3.09 AND 12-16% W/V PEG 6,000.
Resolution 2.00 Å R-free 0.210
6C98 Crystal structure of FcRn bound to UCB-84 Deposited 2018-01-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded CYS CYSTEINE × 1 ER7 1-[7-(3-fluorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one × 1 GOL GLYCEROL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 3；289 K；APO FCRN CRYSTALS WERE PRODUCED BY SITTING DROP VAPOR DIFFUSION WITH AN EQUAL VOLUME COMBINATION OF THE PROTEIN COMPLEX, PROVIDED IN A PROTEIN SOLUTION CONTAINING 50MM HEPES PH 7.0 AND 75MM NACL, AND AN OPTIMIZATION SCREEN CONTAINING 0.1M CITRIC ACID/NAOH PH 3.0 AND 20% W/V PEG 6,000. CRYSTALS OF FCRN WERE SOAKED FOR THREE DAYS IN BUFFER CONTAINING 0.1M CITRIC ACID/NAOH PH 3.0, 20% W/V PEG 6,000, AND 20% GLYCEROL AND 20MM UCB-84).
Resolution 1.85 Å R-free 0.213
6C98 Crystal structure of FcRn bound to UCB-84 Deposited 2018-01-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 21–119（99 aa）
Not recorded CYS CYSTEINE × 1 ER7 1-[7-(3-fluorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 3；289 K；APO FCRN CRYSTALS WERE PRODUCED BY SITTING DROP VAPOR DIFFUSION WITH AN EQUAL VOLUME COMBINATION OF THE PROTEIN COMPLEX, PROVIDED IN A PROTEIN SOLUTION CONTAINING 50MM HEPES PH 7.0 AND 75MM NACL, AND AN OPTIMIZATION SCREEN CONTAINING 0.1M CITRIC ACID/NAOH PH 3.0 AND 20% W/V PEG 6,000. CRYSTALS OF FCRN WERE SOAKED FOR THREE DAYS IN BUFFER CONTAINING 0.1M CITRIC ACID/NAOH PH 3.0, 20% W/V PEG 6,000, AND 20% GLYCEROL AND 20MM UCB-84).
Resolution 1.85 Å R-free 0.213
6C99 Crystal structure of FcRn bound to UCB-303 Deposited 2018-01-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded EQY methyl 7-(3,5-difluorophenyl)-5-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 GOL GLYCEROL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 3；289 K；APO FCRN CRYSTALS WERE PRODUCED BY SITTING DROP VAPOR DIFFUSION WITH AN EQUAL VOLUME COMBINATION OF THE PROTEIN COMPLEX, PROVIDED IN A PROTEIN SOLUTION CONTAINING 50MM HEPES PH 7.0 AND 75MM NACL, AND AN OPTIMIZATION SCREEN CONTAINING 0.1M CITRIC ACID/NAOH PH 3.01-3.09 AND 12-16% W/V PEG 6,000. CRYSTALS OF FCRN WERE SOAKED FOR THREE DAYS IN BUFFER CONTAINING 0.1M CITRIC ACID/NAOH PH 3.0, 20% W/V PEG6,000, AND 20% GLYCEROL AND 12.5MM UCB-303.
Resolution 2.00 Å R-free 0.220
6C99 Crystal structure of FcRn bound to UCB-303 Deposited 2018-01-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 21–119（99 aa）
Not recorded EQY methyl 7-(3,5-difluorophenyl)-5-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 3；289 K；APO FCRN CRYSTALS WERE PRODUCED BY SITTING DROP VAPOR DIFFUSION WITH AN EQUAL VOLUME COMBINATION OF THE PROTEIN COMPLEX, PROVIDED IN A PROTEIN SOLUTION CONTAINING 50MM HEPES PH 7.0 AND 75MM NACL, AND AN OPTIMIZATION SCREEN CONTAINING 0.1M CITRIC ACID/NAOH PH 3.01-3.09 AND 12-16% W/V PEG 6,000. CRYSTALS OF FCRN WERE SOAKED FOR THREE DAYS IN BUFFER CONTAINING 0.1M CITRIC ACID/NAOH PH 3.0, 20% W/V PEG6,000, AND 20% GLYCEROL AND 12.5MM UCB-303.
Resolution 2.00 Å R-free 0.220
6CUG Crystal structure of BC8B TCR-CD1b-PC complex Deposited 2018-03-26 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CUY tetracosyl octadecanoate × 1 POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；PEG 3350, Tris-HCl
Resolution 2.40 Å R-free 0.229
6D29 HLA-B*57:01 presenting TSMSFVPRPW Deposited 2018-04-13 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；294 K；18 % PEG 4000, 0.2 M ammonium acetate and 0.1 M tri-sodium citrate pH 5.4.
Resolution 1.88 Å R-free 0.222
6D2B HLA-B*57:01 presenting LSDSTARDVTW Deposited 2018-04-13 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；294 K；18 % PEG 4000, 0.2 M ammonium acetate and 0.1 M tri-sodium citrate pH 5.4.
Resolution 2.04 Å R-free 0.212
6D2R HLA-B*57:01 presenting GSFDYSGVHLW Deposited 2018-04-13 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；294 K；18 % PEG 4000, 0.2 M ammonium acetate and 0.1 M tri-sodium citrate pH 5.4.
Resolution 1.83 Å R-free 0.207
6D2T HLA-B*57:01 presenting LALLTGVRW Deposited 2018-04-13 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；294 K；18 % PEG 4000, 0.2 M ammonium acetate and 0.1 M tri-sodium citrate pH 5.4.
Resolution 1.90 Å R-free 0.203
6D64 Crystal Structure of Human CD1b in Complex with POPC Deposited 2018-04-20 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 1 CUY tetracosyl octadecanoate × 1 CL CHLORIDE ION × 7 EDO 1,2-ETHANEDIOL × 3 NA SODIUM ION × 1 IOD IODIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, 0.2M Sodium Iodide, Ethylene Glycol
Resolution 1.70 Å R-free 0.211
6D78 The complex between high-affinity TCR DMF5(alpha-D26Y,beta-L98W) and human Class I MHC HLA-A2 with the bound MART-1(27-35)peptide Deposited 2018-04-24 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M Tris, 12% PEG6000, 0.2 M magnesium chloride
Resolution 2.35 Å R-free 0.255
6D7G Structure of 5F3 TCR in complex with HLA-A2/MART-1 Deposited 2018-04-24 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295.15 K；PEG 550 MME, TRIS, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 295K
Resolution 2.75 Å R-free 0.237
6DKP The complex among DMF5(alpha-D26Y, alpha-Y50A,beta-L98W) TCR, human Class I MHC HLA-A2 and MART-1(26-35)(A27L) peptide Deposited 2018-05-30 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；12% Peg 3350, 250mM MgCl2, 0.1M HEPES
Resolution 2.97 Å R-free 0.286
6EI2 Crystal Structure of HLA-A68 presenting a C-terminally extended peptide Deposited 2017-09-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 6 NI NICKEL (II) ION × 3 CD CADMIUM ION × 2 CO COBALT (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；12% PEG3350 0.005M cobalt chloride 0.005M cadmium chloride 0.005M nickel chloride 0.005M magnesium chloride 0.1M HEPES pH 7.5
Resolution 1.61 Å R-free 0.181
6ENY Structure of the human PLC editing module Deposited 2017-10-07 Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 5.80 Å
6EQA HLA class I histocompatibility antigen Deposited 2017-10-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M HEPES pH 7.5, 25% PEG 4000 and 15% glycerol
Resolution 3.16 Å R-free 0.263
6EQB HLA class I histocompatibility antigen Deposited 2017-10-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M HEPES pH 7.0, 20% PEG 4000 and 15% glycerol
Resolution 2.81 Å R-free 0.251
6EWA Crystal structure of HLA-A2 in complex with LILRB1 Deposited 2017-11-03 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；17.5% PEG 3350, 0.2M Ammonium acetate, 0.1M Tris HCL
Resolution 2.39 Å R-free 0.279
6EWA Crystal structure of HLA-A2 in complex with LILRB1 Deposited 2017-11-03 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；17.5% PEG 3350, 0.2M Ammonium acetate, 0.1M Tris HCL
Resolution 2.39 Å R-free 0.279
6EWC Crystal structure of non-phosphorylated form of RLS PHOSPHOPEPTIDE BOUND TO HLA-A2 in complex with LILRB1 Deposited 2017-11-03 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；12.8% PEG 3350, 3% Tacsimate, 10% dimethyl sulphoxide
Resolution 3.20 Å R-free 0.246
6EWC Crystal structure of non-phosphorylated form of RLS PHOSPHOPEPTIDE BOUND TO HLA-A2 in complex with LILRB1 Deposited 2017-11-03 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；12.8% PEG 3350, 3% Tacsimate, 10% dimethyl sulphoxide
Resolution 3.20 Å R-free 0.246
6EWO Crystal structure of non-phosphorylated form of RTF PHOSPHOPEPTIDE BOUND TO HLA-A2 in complex with LILRB1 Deposited 2017-11-06 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；20% PEG 3350, 0.2M Potassium sodium tartrate
Resolution 2.30 Å R-free 0.276
6EWO Crystal structure of non-phosphorylated form of RTF PHOSPHOPEPTIDE BOUND TO HLA-A2 in complex with LILRB1 Deposited 2017-11-06 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；20% PEG 3350, 0.2M Potassium sodium tartrate
Resolution 2.30 Å R-free 0.276
6FGB Human FcRn extra-cellular domain complexed with Fab fragment of Rozanolixizumab Deposited 2018-01-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded CL CHLORIDE ION × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；291.15 K；0.1M Sodium citrate pH 5.5, 11% PEG6000
Resolution 2.90 Å R-free 0.284
6G3J MHC A02 Allele presenting MTSAIGILVP Deposited 2018-03-26 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K
Resolution 2.45 Å R-free 0.270
6G3J MHC A02 Allele presenting MTSAIGILVP Deposited 2018-03-26 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K
Resolution 2.45 Å R-free 0.270
6G3K MHC A02 Allele presenting MTSAIGILPV Deposited 2018-03-26 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K
Resolution 2.90 Å R-free 0.287
6G3K MHC A02 Allele presenting MTSAIGILPV Deposited 2018-03-26 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K
Resolution 2.90 Å R-free 0.287
6GGM HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P2-Phe. Deposited 2018-05-03 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ZN ZINC ION × 3 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.5 K；2.0 M Ammonium Sulphate, 0.1 M MES, 1mM ZnSO4
Resolution 2.73 Å R-free 0.221
6GGM HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P2-Phe. Deposited 2018-05-03 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.5 K；2.0 M Ammonium Sulphate, 0.1 M MES, 1mM ZnSO4
Resolution 2.73 Å R-free 0.221
6GH1 HLA-E*01:03 in complex with Mtb44 Deposited 2018-05-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293.5 K；2.4 M Ammonium Sulphate, 0.1 M MES, pH 6
Resolution 2.10 Å R-free 0.229
6GH1 HLA-E*01:03 in complex with Mtb44 Deposited 2018-05-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa）
Not recorded SO4 SULFATE ION × 2 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293.5 K；2.4 M Ammonium Sulphate, 0.1 M MES, pH 6
Resolution 2.10 Å R-free 0.229
6GH1 HLA-E*01:03 in complex with Mtb44 Deposited 2018-05-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293.5 K；2.4 M Ammonium Sulphate, 0.1 M MES, pH 6
Resolution 2.10 Å R-free 0.229
6GH1 HLA-E*01:03 in complex with Mtb44 Deposited 2018-05-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 21–119（99 aa）
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293.5 K；2.4 M Ammonium Sulphate, 0.1 M MES, pH 6
Resolution 2.10 Å R-free 0.229
6GH4 HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P2-Gln. Deposited 2018-05-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293.5 K；2.4 M Ammonium Sulphate, 0.1 M HEPES, pH 7
Resolution 2.16 Å R-free 0.242
6GH4 HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P2-Gln. Deposited 2018-05-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded SO4 SULFATE ION × 3 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293.5 K；2.4 M Ammonium Sulphate, 0.1 M HEPES, pH 7
Resolution 2.16 Å R-free 0.242
6GH4 HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P2-Gln. Deposited 2018-05-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293.5 K；2.4 M Ammonium Sulphate, 0.1 M HEPES, pH 7
Resolution 2.16 Å R-free 0.242
6GH4 HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P2-Gln. Deposited 2018-05-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293.5 K；2.4 M Ammonium Sulphate, 0.1 M HEPES, pH 7
Resolution 2.16 Å R-free 0.242
6GHN HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P9-Phe. Deposited 2018-05-08 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293.5 K；2.4 M Ammonium Sulphate, 0.1 M HEPES, pH 7
Resolution 2.54 Å R-free 0.264
6GHN HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P9-Phe. Deposited 2018-05-08 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293.5 K；2.4 M Ammonium Sulphate, 0.1 M HEPES, pH 7
Resolution 2.54 Å R-free 0.264
6GK3 Two protofilament beta-2-microglobulin amyloid fibril Deposited 2018-05-18 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric
Chain A 42–105（64 aa）
Chain B 42–105（64 aa）
Chain C 42–105（64 aa）
Chain D 42–105（64 aa）
Chain E 42–105（64 aa）
Chain F 42–105（64 aa）
Chain G 42–105（64 aa）
Chain H 42–105（64 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 2.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.98 Å
6GL1 HLA-E*01:03 in complex with the HIV epitope, RL9HIV Deposited 2018-05-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293.5 K；2.4 M Ammonium Sulphate, 0.1 M MES, pH 6, 0.05% dichloromethane
Resolution 2.62 Å R-free 0.273
6GL1 HLA-E*01:03 in complex with the HIV epitope, RL9HIV Deposited 2018-05-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293.5 K；2.4 M Ammonium Sulphate, 0.1 M MES, pH 6, 0.05% dichloromethane
Resolution 2.62 Å R-free 0.273
6GL1 HLA-E*01:03 in complex with the HIV epitope, RL9HIV Deposited 2018-05-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 21–119（99 aa）
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293.5 K；2.4 M Ammonium Sulphate, 0.1 M MES, pH 6, 0.05% dichloromethane
Resolution 2.62 Å R-free 0.273
6GL1 HLA-E*01:03 in complex with the HIV epitope, RL9HIV Deposited 2018-05-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293.5 K；2.4 M Ammonium Sulphate, 0.1 M MES, pH 6, 0.05% dichloromethane
Resolution 2.62 Å R-free 0.273
6ID4 Defining the structural basis for human alloantibody binding to human leukocyte antigen allele HLA-A*11:01 Deposited 2018-09-08 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1,4-Dioxane, Tris pH 8.2, Polyethylene glycol 3,350
Resolution 2.40 Å R-free 0.246
6ID4 Defining the structural basis for human alloantibody binding to human leukocyte antigen allele HLA-A*11:01 Deposited 2018-09-08 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain F 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 PEG DI(HYDROXYETHYL)ETHER × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1,4-Dioxane, Tris pH 8.2, Polyethylene glycol 3,350
Resolution 2.40 Å R-free 0.246
6IEX Crystal structure of HLA-B*4001 in complex with SARS-CoV derived peptide N216-225 GETALALLLL Deposited 2018-09-17 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1M sodium citrate tribasic dehydrate, pH 6.5 and 18% w-v polyethylene glycol 3350
Resolution 2.31 Å R-free 0.261
6ILM Cryo-EM structure of Echovirus 6 complexed with its uncoating receptor FcRn at PH 7.4 Deposited 2018-10-19 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 360 PDB declaration: 540-meric
Chain F 21–119（99 aa）
Not recorded SPH SPHINGOSINE × 60 K POTASSIUM ION × 60 NA SODIUM ION × 60 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
6ILM Cryo-EM structure of Echovirus 6 complexed with its uncoating receptor FcRn at PH 7.4 Deposited 2018-10-19 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: nonameric
Chain F 21–119（99 aa）
Not recorded SPH SPHINGOSINE × 1 K POTASSIUM ION × 1 NA SODIUM ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
6ILM Cryo-EM structure of Echovirus 6 complexed with its uncoating receptor FcRn at PH 7.4 Deposited 2018-10-19 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 30 PDB declaration: 45-meric
Chain F 21–119（99 aa）
Not recorded SPH SPHINGOSINE × 5 K POTASSIUM ION × 5 NA SODIUM ION × 5 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
6ILM Cryo-EM structure of Echovirus 6 complexed with its uncoating receptor FcRn at PH 7.4 Deposited 2018-10-19 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 36 PDB declaration: 54-meric
Chain F 21–119（99 aa）
Not recorded SPH SPHINGOSINE × 6 K POTASSIUM ION × 6 NA SODIUM ION × 6 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
6ILM Cryo-EM structure of Echovirus 6 complexed with its uncoating receptor FcRn at PH 7.4 Deposited 2018-10-19 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: nonameric
Chain F 21–119（99 aa）
Not recorded SPH SPHINGOSINE × 1 K POTASSIUM ION × 1 NA SODIUM ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
6J1V The structure of HLA-A*3003/RT313 Deposited 2018-12-29 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；0.1 M HEPES (pH 7.5), 25% (w/v) polyethylene glycol 3350
Resolution 2.00 Å R-free 0.217
6J1W The structure of HLA-A*3001/RT313 Deposited 2018-12-29 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；0.1 M sodium citrate tribasic dehydrate (pH 5.5)
Resolution 1.50 Å R-free 0.205
6J29 The structure of HLA-A*3003/MTB Deposited 2018-12-31 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；291 K；0.2M Potassium Sodium Tartrate tetrahydrate, 0.1M Tri-Sodium Citrate dihydrate(pH 5.6), 2.0M Ammonium Sulfate
Resolution 1.60 Å R-free 0.197
6J2A The structure of HLA-A*3003/NP44 Deposited 2018-12-31 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；291 K；0.1M Tri-Sodium Citrate dihydrate (pH 5.6), 1.0M Lithium Sulfate monohydrate
Resolution 1.40 Å R-free 0.195
6J2E Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Ebola virus-derived peptide EBOV-NP1 Deposited 2019-01-01 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1M succinic acid pH 7.0, 15%(w/v) polyethylene glycol 3,350
Resolution 2.10 Å R-free 0.257
6J2E Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Ebola virus-derived peptide EBOV-NP1 Deposited 2019-01-01 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1M succinic acid pH 7.0, 15%(w/v) polyethylene glycol 3,350
Resolution 2.10 Å R-free 0.257
6J2G Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Ebola virus-derived peptide EBOV-NP2 Deposited 2019-01-01 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2 M ammonium acetate, 0.1 M Tris pH 8.0, 16% w/v polyethylene glycol 10,000
Resolution 2.41 Å R-free 0.233
6J2G Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Ebola virus-derived peptide EBOV-NP2 Deposited 2019-01-01 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2 M ammonium acetate, 0.1 M Tris pH 8.0, 16% w/v polyethylene glycol 10,000
Resolution 2.41 Å R-free 0.233
6J2H Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 mutant (Met52 Asp53 Leu54 deleted) in complex with Hendra virus-derived peptide HeV1 Deposited 2019-01-01 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2M sodium formate, 20%(w/v) polyethylene glycol 3,350
Resolution 2.30 Å R-free 0.228
6J2H Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 mutant (Met52 Asp53 Leu54 deleted) in complex with Hendra virus-derived peptide HeV1 Deposited 2019-01-01 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2M sodium formate, 20%(w/v) polyethylene glycol 3,350
Resolution 2.30 Å R-free 0.228
6J2I Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with H17N10 influenza-like virus-derivrd peptide H17N10-NP Deposited 2019-01-01 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.075 M HEPES pH 7.5, 15% w/v polyethylene glycol 10,000, 25% v/v glycerol.
Resolution 2.30 Å R-free 0.253
6J2I Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with H17N10 influenza-like virus-derivrd peptide H17N10-NP Deposited 2019-01-01 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.075 M HEPES pH 7.5, 15% w/v polyethylene glycol 10,000, 25% v/v glycerol.
Resolution 2.30 Å R-free 0.253
6J2J Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with MERS-CoV-derived peptide MERS-CoV-S3 Deposited 2019-01-01 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2 M sodium acetate trihydrate, 20% w/v polyethylene glycol 3,350
Resolution 2.50 Å R-free 0.267
6J2J Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with MERS-CoV-derived peptide MERS-CoV-S3 Deposited 2019-01-01 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2 M sodium acetate trihydrate, 20% w/v polyethylene glycol 3,350
Resolution 2.50 Å R-free 0.267
6JOZ Crystal structure of BRLF peptide from EBV in complex with HLA-A1101. Deposited 2019-03-25 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.2M LITHIUM SULFATE MONOHYDRATE, 0.1M TRIS-HCL, 30% PEG 4000
Resolution 1.35 Å R-free 0.189
6JP3 Crystal structure of peptide in complex with HLA-A1101. Deposited 2019-03-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；289 K；0.2M Sodium malonate, 20% PEG 3350
Resolution 1.66 Å R-free 0.194
6JTN Crystal structure of HLA-C08 in complex with a tumor mut10m peptide Deposited 2019-04-11 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–118（98 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2M ammonium acetate, 0.1M HEPES (pH 7.5), 25% w/v polyethylene glycol 3350
Resolution 1.90 Å R-free 0.200
6JTO Crystal structure of HLA-C05 in complex with a tumor mut10m peptide Deposited 2019-04-11 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–118（98 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2M ammonium acetate, 0.1M HEPES (pH 7.5), 25% w/v polyethylene glycol 3350
Resolution 1.70 Å R-free 0.208
6JTP Crystal structure of HLA-C08 in complex with a tumor mut9m peptide Deposited 2019-04-11 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–118（98 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2M ammonium acetate, 0.1M HEPES (pH 7.5), 25% w/v polyethylene glycol 3350
Resolution 1.90 Å R-free 0.283
6K60 Structural and functional basis for HLA-G isoform recognition of immune checkpoint receptor LILRBs Deposited 2019-05-31 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded IOD IODIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2M sodium iodide, 0.1M Bis Tris propane (pH 8.5), 20% PEG 3350
Resolution 3.15 Å R-free 0.289
6K60 Structural and functional basis for HLA-G isoform recognition of immune checkpoint receptor LILRBs Deposited 2019-05-31 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded IOD IODIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2M sodium iodide, 0.1M Bis Tris propane (pH 8.5), 20% PEG 3350
Resolution 3.15 Å R-free 0.289
6K7T Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Hendra virus-derived peptide HeV1--human beta-2 microglobulin Deposited 2019-06-08 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M HEPES pH 7.0, 2% w/v Polyethylene glycol 3350
Resolution 1.60 Å R-free 0.234
6LA6 Cryo-EM structure of echovirus 11 complexed with its uncoating receptor FcRn at pH 7.4 Deposited 2019-11-12 Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 360 PDB declaration: 360-meric
Chain F 21–119（99 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.39 Å
6LA6 Cryo-EM structure of echovirus 11 complexed with its uncoating receptor FcRn at pH 7.4 Deposited 2019-11-12 Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain F 21–119（99 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.39 Å
6LA6 Cryo-EM structure of echovirus 11 complexed with its uncoating receptor FcRn at pH 7.4 Deposited 2019-11-12 Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 30 PDB declaration: 30-meric
Chain F 21–119（99 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.39 Å
6LA6 Cryo-EM structure of echovirus 11 complexed with its uncoating receptor FcRn at pH 7.4 Deposited 2019-11-12 Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 36 PDB declaration: 36-meric
Chain F 21–119（99 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.39 Å
6LA6 Cryo-EM structure of echovirus 11 complexed with its uncoating receptor FcRn at pH 7.4 Deposited 2019-11-12 Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain F 21–119（99 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.39 Å
6LA7 Cryo-EM structure of echovirus 11 complexed with its uncoating receptor FcRn at pH 5.5 Deposited 2019-11-12 Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 360 PDB declaration: 360-meric
Chain F 21–119（99 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 5.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.82 Å
6LA7 Cryo-EM structure of echovirus 11 complexed with its uncoating receptor FcRn at pH 5.5 Deposited 2019-11-12 Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain F 21–119（99 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 5.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.82 Å
6LA7 Cryo-EM structure of echovirus 11 complexed with its uncoating receptor FcRn at pH 5.5 Deposited 2019-11-12 Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 30 PDB declaration: 30-meric
Chain F 21–119（99 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 5.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.82 Å
6LA7 Cryo-EM structure of echovirus 11 complexed with its uncoating receptor FcRn at pH 5.5 Deposited 2019-11-12 Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 36 PDB declaration: 36-meric
Chain F 21–119（99 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 5.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.82 Å
6LA7 Cryo-EM structure of echovirus 11 complexed with its uncoating receptor FcRn at pH 5.5 Deposited 2019-11-12 Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain F 21–119（99 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 5.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.82 Å
6M1B A new V27M variant of beta 2 microglobulin induced amyloidosis in a patient with long-term hemodialysis Deposited 2020-02-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 MG MAGNESIUM ION × 2 CA CALCIUM ION × 2 PO4 PHOSPHATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 4000, ammonium acetate, glycerol, Phosphate buffer
Resolution 1.88 Å R-free 0.246
6M24 Uncommon structural features of rabbit MHC class I (RLA-A1) complexed with rabbit haemorrhagic disease virus (RHDV) derived peptide, VP60-2 Deposited 2020-02-26 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；0.2M magnesium chloride hexahydrate, 0.1M sodium citrate tribasic, pH 5.0, 10% w/v polyethylene glycol 20000
Resolution 2.29 Å R-free 0.246
6M2J Uncommon structural features of rabbit MHC class I (RLA-A1) complexed with rabbit haemorrhagic disease virus (RHDV) derived peptide, VP60-1 Deposited 2020-02-27 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1M imidazole (pH 7.0), 12% w/v polyethylene glycol 2000
Resolution 2.20 Å R-free 0.256
6M2K Uncommon structural features of rabbit MHC class I (RLA-A1) complexed with rabbit haemorrhagic disease virus (RHDV) derived peptide, VP60-10 Deposited 2020-02-27 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1 M BIS-TRIS PH 6.5, 20% w/v PEG 5000
Resolution 2.59 Å R-free 0.294
6MPP HLA-A*01:01 complex with NRAS Q61K peptide by NMR Deposited 2018-10-08 Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 21–119（99 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.2；298 K；Ionic strength (raw mmCIF value) 20；Pressure 1
NMR sample composition 300 uM [U-99% 13C; U-99% 15N] MHC-I HLA-A01:01, 300 uM NRAS Q16K, 300 uM Hb2M, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 180 uM [U-15N; U-2H]; [U-15N; U-2H; Methyl-1H; Methyl-13C]-Ala, Ile, Leu & Val MHC-I HLA-A01:01, 180 uM NRAS Q16K, 180 uM Hb2M, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 210 uM [U-15N; U-2H]; [U-15N; U-2H; Methyl-1H; Methyl-13C]-Ala, Ile, Leu & Val; [U-13C; U-15N]-Phe & Tyr MHC-I HLA-A01:01, 210 uM [U-15N] NRAS Q16K, 210 uM [U-2H] Hb2M, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 170 uM [U-15N; U-2H]; [U-15N; U-2H; Methyl-1H; Methyl-13C]-Ala, Ile, Leu & Val MHC-I HLA-A01:01, 170 uM NRAS Q16K, 170 uM Hb2M, 100% D2O | 100% D2O
Resolution not provided
6MT3 Crystal Structure of HLA-B*18:01 in complex with NP338 influenza peptide Deposited 2018-10-19 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；20% PEG6000, 0.2M NaCl, 0.1M Na citrate pH 6.5
Resolution 1.21 Å R-free 0.214
6MT4 Crystal Structure of HLA-B*37:01 in complex with NP338-L7S influenza peptide Deposited 2018-10-19 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；20% PEG6000, 0.2M NaCl, 0.1M Na citrate pH 6.5
Resolution 1.55 Å R-free 0.251
6MT5 Crystal Structure of HLA-B*37:01 in complex with NP338-V6L influenza peptide Deposited 2018-10-19 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；20% PEG6000, 0.2M NaCl, 0.1M Na citrate pH 6.5
Resolution 1.55 Å R-free 0.207
6MT6 Crystal Structure of HLA-B*37:01 in complex with NP338 influenza peptide Deposited 2018-10-19 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 21–119（99 aa）
Not recorded ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；20% PEG6000, 0.2M NaCl, 0.1M Na citrate pH 6.5
Resolution 1.31 Å R-free 0.193
6MTL Crystal Structure of HLA-B*44:05 in complex with NP338 influenza peptide Deposited 2018-10-19 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；20% PEG6000, 0.2M NaCl, 0.1M Na citrate pH 6.5
Resolution 1.35 Å R-free 0.210
6MTM Crystal Structure of EM2 TCR in complex with HLA-B*37:01-NP338 Deposited 2018-10-19 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；19% PEG 3350, 0.2 ammonium tartrate
Resolution 3.00 Å R-free 0.301
6MWR Recognition of MHC-like molecule Deposited 2018-10-30 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；15-17% PEG3350 0.2M CaCl2
Resolution 3.30 Å R-free 0.261
6NCA HLA-A2 (A*02:01) bound to a peptide from the Epstein-Barr virus BRLF1 protein Deposited 2018-12-11 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain i 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；10.5% (w/v) PEG 4000, 35 mM Tris base/ HCl (pH 8.5), 70 mM Li2SO4
Resolution 3.30 Å R-free 0.303
6NCA HLA-A2 (A*02:01) bound to a peptide from the Epstein-Barr virus BRLF1 protein Deposited 2018-12-11 Different experimental conditions Different structure-quality metrics Assembly 10 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain r 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；10.5% (w/v) PEG 4000, 35 mM Tris base/ HCl (pH 8.5), 70 mM Li2SO4
Resolution 3.30 Å R-free 0.303
6NCA HLA-A2 (A*02:01) bound to a peptide from the Epstein-Barr virus BRLF1 protein Deposited 2018-12-11 Different experimental conditions Different structure-quality metrics Assembly 11 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain h 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；10.5% (w/v) PEG 4000, 35 mM Tris base/ HCl (pH 8.5), 70 mM Li2SO4
Resolution 3.30 Å R-free 0.303
6NCA HLA-A2 (A*02:01) bound to a peptide from the Epstein-Barr virus BRLF1 protein Deposited 2018-12-11 Different experimental conditions Different structure-quality metrics Assembly 12 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain q 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；10.5% (w/v) PEG 4000, 35 mM Tris base/ HCl (pH 8.5), 70 mM Li2SO4
Resolution 3.30 Å R-free 0.303
6NCA HLA-A2 (A*02:01) bound to a peptide from the Epstein-Barr virus BRLF1 protein Deposited 2018-12-11 Different experimental conditions Different structure-quality metrics Assembly 13 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain g 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；10.5% (w/v) PEG 4000, 35 mM Tris base/ HCl (pH 8.5), 70 mM Li2SO4
Resolution 3.30 Å R-free 0.303
6NCA HLA-A2 (A*02:01) bound to a peptide from the Epstein-Barr virus BRLF1 protein Deposited 2018-12-11 Different experimental conditions Different structure-quality metrics Assembly 14 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain d 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；10.5% (w/v) PEG 4000, 35 mM Tris base/ HCl (pH 8.5), 70 mM Li2SO4
Resolution 3.30 Å R-free 0.303
6NCA HLA-A2 (A*02:01) bound to a peptide from the Epstein-Barr virus BRLF1 protein Deposited 2018-12-11 Different experimental conditions Different structure-quality metrics Assembly 15 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain n 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；10.5% (w/v) PEG 4000, 35 mM Tris base/ HCl (pH 8.5), 70 mM Li2SO4
Resolution 3.30 Å R-free 0.303
6NCA HLA-A2 (A*02:01) bound to a peptide from the Epstein-Barr virus BRLF1 protein Deposited 2018-12-11 Different experimental conditions Different structure-quality metrics Assembly 16 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain a 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；10.5% (w/v) PEG 4000, 35 mM Tris base/ HCl (pH 8.5), 70 mM Li2SO4
Resolution 3.30 Å R-free 0.303
6NCA HLA-A2 (A*02:01) bound to a peptide from the Epstein-Barr virus BRLF1 protein Deposited 2018-12-11 Different experimental conditions Different structure-quality metrics Assembly 17 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain k 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；10.5% (w/v) PEG 4000, 35 mM Tris base/ HCl (pH 8.5), 70 mM Li2SO4
Resolution 3.30 Å R-free 0.303
6NCA HLA-A2 (A*02:01) bound to a peptide from the Epstein-Barr virus BRLF1 protein Deposited 2018-12-11 Different experimental conditions Different structure-quality metrics Assembly 18 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain c 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；10.5% (w/v) PEG 4000, 35 mM Tris base/ HCl (pH 8.5), 70 mM Li2SO4
Resolution 3.30 Å R-free 0.303
6NCA HLA-A2 (A*02:01) bound to a peptide from the Epstein-Barr virus BRLF1 protein Deposited 2018-12-11 Different experimental conditions Different structure-quality metrics Assembly 19 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain s 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；10.5% (w/v) PEG 4000, 35 mM Tris base/ HCl (pH 8.5), 70 mM Li2SO4
Resolution 3.30 Å R-free 0.303
6NCA HLA-A2 (A*02:01) bound to a peptide from the Epstein-Barr virus BRLF1 protein Deposited 2018-12-11 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain b 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；10.5% (w/v) PEG 4000, 35 mM Tris base/ HCl (pH 8.5), 70 mM Li2SO4
Resolution 3.30 Å R-free 0.303
6NCA HLA-A2 (A*02:01) bound to a peptide from the Epstein-Barr virus BRLF1 protein Deposited 2018-12-11 Different experimental conditions Different structure-quality metrics Assembly 20 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain m 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；10.5% (w/v) PEG 4000, 35 mM Tris base/ HCl (pH 8.5), 70 mM Li2SO4
Resolution 3.30 Å R-free 0.303
6NCA HLA-A2 (A*02:01) bound to a peptide from the Epstein-Barr virus BRLF1 protein Deposited 2018-12-11 Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain l 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；10.5% (w/v) PEG 4000, 35 mM Tris base/ HCl (pH 8.5), 70 mM Li2SO4
Resolution 3.30 Å R-free 0.303
6NCA HLA-A2 (A*02:01) bound to a peptide from the Epstein-Barr virus BRLF1 protein Deposited 2018-12-11 Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain j 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；10.5% (w/v) PEG 4000, 35 mM Tris base/ HCl (pH 8.5), 70 mM Li2SO4
Resolution 3.30 Å R-free 0.303
6NCA HLA-A2 (A*02:01) bound to a peptide from the Epstein-Barr virus BRLF1 protein Deposited 2018-12-11 Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain t 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；10.5% (w/v) PEG 4000, 35 mM Tris base/ HCl (pH 8.5), 70 mM Li2SO4
Resolution 3.30 Å R-free 0.303
6NCA HLA-A2 (A*02:01) bound to a peptide from the Epstein-Barr virus BRLF1 protein Deposited 2018-12-11 Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain f 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；10.5% (w/v) PEG 4000, 35 mM Tris base/ HCl (pH 8.5), 70 mM Li2SO4
Resolution 3.30 Å R-free 0.303
6NCA HLA-A2 (A*02:01) bound to a peptide from the Epstein-Barr virus BRLF1 protein Deposited 2018-12-11 Different experimental conditions Different structure-quality metrics Assembly 7 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain p 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；10.5% (w/v) PEG 4000, 35 mM Tris base/ HCl (pH 8.5), 70 mM Li2SO4
Resolution 3.30 Å R-free 0.303
6NCA HLA-A2 (A*02:01) bound to a peptide from the Epstein-Barr virus BRLF1 protein Deposited 2018-12-11 Different experimental conditions Different structure-quality metrics Assembly 8 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain o 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；10.5% (w/v) PEG 4000, 35 mM Tris base/ HCl (pH 8.5), 70 mM Li2SO4
Resolution 3.30 Å R-free 0.303
6NCA HLA-A2 (A*02:01) bound to a peptide from the Epstein-Barr virus BRLF1 protein Deposited 2018-12-11 Different experimental conditions Different structure-quality metrics Assembly 9 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain e 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；10.5% (w/v) PEG 4000, 35 mM Tris base/ HCl (pH 8.5), 70 mM Li2SO4
Resolution 3.30 Å R-free 0.303
6NHA Crystal structure of SYNT001, a human FcRn blocking monoclonal antibody Deposited 2018-12-21 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；277.15 K；0.1M CHES pH 9.5 50% polyethylene glycol 200
Resolution 2.38 Å R-free 0.245
6NPR Crystal structure of H-2Dd with C84-C139 disulfide in complex with gp120 derived peptide P18-I10 Deposited 2019-01-18 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.2M Ammonium acetate, 0.1M Bis-Tris (5.5) and 25%PEG 3350
Resolution 2.37 Å R-free 0.251
6NPR Crystal structure of H-2Dd with C84-C139 disulfide in complex with gp120 derived peptide P18-I10 Deposited 2019-01-18 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.2M Ammonium acetate, 0.1M Bis-Tris (5.5) and 25%PEG 3350
Resolution 2.37 Å R-free 0.251
6NUX CD1a-lipid binary complex Deposited 2019-02-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded FOF (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol × 1 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；20-25% PEG 1500, 0.1M MMT pH 5.5
Resolution 2.20 Å R-free 0.248
6O4Y Structure of HLA-A2:01 with peptide MM91 Deposited 2019-03-01 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 NA SODIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295.15 K；30% PEG 4000, 0.1M TRIS-HCL PH 8.5, 0.2M LITHIUM SULFATE
Resolution 1.58 Å R-free 0.205
6O4Z Structure of HLA-A2:01 with peptide MM92 Deposited 2019-03-01 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 NA SODIUM ION × 6 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；295.15 K；30% PEG 4000, 0.1M TRIS-HCL PH 8.0, 0.2M LITHIUM SULFATE
Resolution 1.50 Å R-free 0.193
6O51 Structure of HLA-A2:01 with peptide MM90 Deposited 2019-03-01 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 6 NA SODIUM ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；295.15 K；30% PEG 4000, 0.1M TRIS-HCL PH 8.5, 0.2M LITHIUM SULFATE
Resolution 1.55 Å R-free 0.225
6O53 Structure of HLA-A2:01 with peptide MM96 Deposited 2019-03-01 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 SO4 SULFATE ION × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；295.15 K；30% PEG 4000, 0.1M TRIS-HCL PH 8.5, 0.2M LITHIUM SULFATE
Resolution 1.40 Å R-free 0.210
6O9B Crystal structure of HLA-A3*01 in complex with a wild-type beta-catenin peptide Deposited 2019-03-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–119（119 aa）
Not recorded PG4 TETRAETHYLENE GLYCOL × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 3 IMD IMIDAZOLE × 2 PEG DI(HYDROXYETHYL)ETHER × 4 EDO 1,2-ETHANEDIOL × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；0.1 M MES/imidazole, pH 6.5, 0.03 M diethylene glycol, 0.03 M triethylene glycol, 0.03 M tetraethylene glycol, 0.03 M pentaethylene glycol, 20% PEG500 MME, 10% PEG20000
Resolution 2.20 Å R-free 0.227
6O9C Crystal structure of HLA-A3*01 in complex with a mutant beta-catenin peptide Deposited 2019-03-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–119（119 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 SO4 SULFATE ION × 10 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；0.1 M MES, pH 6.5, 0.2 M ammonium sulfate, 30% PEG5000 MME
Resolution 2.45 Å R-free 0.259
6OPD Crystal Structure of ILNAMIVKI peptide bound to HLA-A2 Deposited 2019-04-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded ACT ACETATE ION × 3 GOL GLYCEROL × 4 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；20% PEG8000, 100 mM MES, pH 6.5, 200 mM magnesium acetate
Resolution 1.79 Å R-free 0.204
6P23 Structure of a nested set of N-terminally extended MHC I-peptides provide novel insights into antigen processing presentation Deposited 2019-05-20 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.2 M ammonium sulfate, 18% PEG4000, 0.1 M sodium cacodylate, pH 5.7
Resolution 1.59 Å R-free 0.227
6P27 Structure of a nested set of N-terminally extended MHC I-peptides provides novel insights into antigen processing and presentation Deposited 2019-05-21 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M ammonium sulfate, 18% PEG4000, 0.1 M sodium cacodylate, pH 5.7
Resolution 1.59 Å R-free 0.213
6P2C Structure of a nested set of N-terminally extended MHC I-peptides provides novel insights into antigen processing and presentation Deposited 2019-05-21 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M ammonium sulfate, 18% PEG4000, 0.1 M sodium cacodylate, pH 5.7
Resolution 1.40 Å R-free 0.210
6P2F Structure of a nested set of N-terminally extended MHC I-peptides provides novel insights into antigen processing and presentation Deposited 2019-05-21 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M ammonium sulfate, 18% PEG4000, 0.1 M sodium cacodylate, pH 5.7
Resolution 1.48 Å R-free 0.245
6P2S Structure of a nested set of N-terminally extended MHC I-peptides provide novel insights into antigen processing and presentation Deposited 2019-05-22 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M ammonium sulfate, 18% PEG4000, 0.1 M sodium cacodylate, pH 5.7
Resolution 1.65 Å R-free 0.214
6P64 Alpha-beta TCR Binding to Neoantigen KQWLVWLFL Presented by HLA-A206 Deposited 2019-05-31 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295.5 K；8 mg/mL protein, 12.5% PEG3350, 0.1 M MOPS, pH 7.0, 0.25 M lithium nitrate
Resolution 3.05 Å R-free 0.219
6P64 Alpha-beta TCR Binding to Neoantigen KQWLVWLFL Presented by HLA-A206 Deposited 2019-05-31 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295.5 K；8 mg/mL protein, 12.5% PEG3350, 0.1 M MOPS, pH 7.0, 0.25 M lithium nitrate
Resolution 3.05 Å R-free 0.219
6PA1 Killer cell immunoglobulin-like receptor 2DL2 in complex with HLA-C*07:02 Deposited 2019-06-11 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M Sodium tartrate dibasic dihydrate and 20% w/v PEG 3350
Resolution 3.01 Å R-free 0.310
6PA1 Killer cell immunoglobulin-like receptor 2DL2 in complex with HLA-C*07:02 Deposited 2019-06-11 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M Sodium tartrate dibasic dihydrate and 20% w/v PEG 3350
Resolution 3.01 Å R-free 0.310
6PAG Killer cell immunoglobulin-like receptor 2DL3 in complex with HLA-C*07:02 Deposited 2019-06-11 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.2 M Ammonium acetate, 0.1 M Tris-HCl pH.8.0 and 25% PEG 3350.
Resolution 2.50 Å R-free 0.254
6PBH Crystal Structure of HLA-A*68:01 in complex with NP145-156, a 12 mer influenza peptide Deposited 2019-06-13 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded IOD IODIDE ION × 1 MG MAGNESIUM ION × 3 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；8-14%PEG3350, 0.1M NaCl, 0.1M Hepes pH 7.4, 20mM MgCl2, 5mM CdCl2
Resolution 1.89 Å R-free 0.234
6PTB Crystal Structure of ILNAMIAKI peptide bound to HLA-A2 Deposited 2019-07-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；15% v/v PEG3350, 100 mM MES
Resolution 2.15 Å R-free 0.232
6PTB Crystal Structure of ILNAMIAKI peptide bound to HLA-A2 Deposited 2019-07-15 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；15% v/v PEG3350, 100 mM MES
Resolution 2.15 Å R-free 0.232
6PTE Crystal Structure of ILNAMITKI peptide bound to HLA-A2 Deposited 2019-07-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；20% v/v PEG3350, 100 mM HEPES, pH 7.5
Resolution 1.90 Å R-free 0.185
6PTE Crystal Structure of ILNAMITKI peptide bound to HLA-A2 Deposited 2019-07-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；20% v/v PEG3350, 100 mM HEPES, pH 7.5
Resolution 1.90 Å R-free 0.185
6PTE Crystal Structure of ILNAMITKI peptide bound to HLA-A2 Deposited 2019-07-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain I 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；20% v/v PEG3350, 100 mM HEPES, pH 7.5
Resolution 1.90 Å R-free 0.185
6PTE Crystal Structure of ILNAMITKI peptide bound to HLA-A2 Deposited 2019-07-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain L 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；20% v/v PEG3350, 100 mM HEPES, pH 7.5
Resolution 1.90 Å R-free 0.185
6PUC Structure of human MAIT A-F7 TCR in complex with human MR1-5-OP-RU Deposited 2019-07-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded Q87 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate
Resolution 1.85 Å R-free 0.178
6PUC Structure of human MAIT A-F7 TCR in complex with human MR1-5-OP-RU Deposited 2019-07-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded Q87 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 GOL GLYCEROL × 2 CL CHLORIDE ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate
Resolution 1.85 Å R-free 0.178
6PUD Structure of human MAIT A-F7 TCR in complex with human MR1-5'OH-Pentyl-5-OP-U Deposited 2019-07-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded OYD 6-[(5-hydroxypentyl)amino]-5-[(E)-propylideneamino]pyrimidine-2,4(1H,3H)-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate
Resolution 1.80 Å R-free 0.200
6PUD Structure of human MAIT A-F7 TCR in complex with human MR1-5'OH-Pentyl-5-OP-U Deposited 2019-07-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded OYD 6-[(5-hydroxypentyl)amino]-5-[(E)-propylideneamino]pyrimidine-2,4(1H,3H)-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate
Resolution 1.80 Å R-free 0.200
6PUE Structure of human MAIT A-F7 TCR in complex with human MR1-4'D-5-OP-RU Deposited 2019-07-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 Q7J 1,4-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate
Resolution 1.90 Å R-free 0.232
6PUE Structure of human MAIT A-F7 TCR in complex with human MR1-4'D-5-OP-RU Deposited 2019-07-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded Q7J 1,4-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate
Resolution 1.90 Å R-free 0.232
6PUF Structure of human MAIT A-F7 TCR in complex with human MR1-5'D-5-OP-RU Deposited 2019-07-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 GOL GLYCEROL × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate
Resolution 1.92 Å R-free 0.221
6PUF Structure of human MAIT A-F7 TCR in complex with human MR1-5'D-5-OP-RU Deposited 2019-07-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 GOL GLYCEROL × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate
Resolution 1.92 Å R-free 0.221
6PUG Structure of human MAIT A-F7 TCR in complex with human MR1-2`OH-Ethyl-5-OP-U Deposited 2019-07-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 OZD 6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate
Resolution 1.80 Å R-free 0.194
6PUG Structure of human MAIT A-F7 TCR in complex with human MR1-2`OH-Ethyl-5-OP-U Deposited 2019-07-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 OZD 6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate
Resolution 1.80 Å R-free 0.194
6PUH Structure of human MAIT A-F7 TCR in complex with human MR1-Ribityl-less Deposited 2019-07-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 21–119（99 aa）
Not recorded OYG 6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate
Resolution 1.88 Å R-free 0.195
6PUH Structure of human MAIT A-F7 TCR in complex with human MR1-Ribityl-less Deposited 2019-07-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded OYG 6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate
Resolution 1.88 Å R-free 0.195
6PUI Structure of human MAIT A-F7 TCR in complex with human MR1-4'OH-Butyl-5-OP-U Deposited 2019-07-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 21–119（99 aa）
Not recorded Q7P 6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione × 1 GOL GLYCEROL × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；292 K；100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate
Resolution 1.96 Å R-free 0.200
6PUI Structure of human MAIT A-F7 TCR in complex with human MR1-4'OH-Butyl-5-OP-U Deposited 2019-07-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded Q7P 6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione × 1 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；292 K；100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate
Resolution 1.96 Å R-free 0.200
6PUK Structure of human MAIT A-F7 TCR in complex with human MR1-JYM72 Deposited 2019-07-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 OYV 1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate
Resolution 2.08 Å R-free 0.202
6PUK Structure of human MAIT A-F7 TCR in complex with human MR1-JYM72 Deposited 2019-07-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 OYV 1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol × 1 ACT ACETATE ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate
Resolution 2.08 Å R-free 0.202
6PUL Structure of human MAIT A-F7 TCR in complex with human MR1 3'D-5-OP-RU Deposited 2019-07-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 Q81 1,3-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate
Resolution 1.84 Å R-free 0.184
6PUL Structure of human MAIT A-F7 TCR in complex with human MR1 3'D-5-OP-RU Deposited 2019-07-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 Q81 1,3-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol × 1 ACT ACETATE ION × 1 NA SODIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate
Resolution 1.84 Å R-free 0.184
6PUM Structure of human MAIT A-F7 TCR in complex with human MR1-2'D-5-OP-RU Deposited 2019-07-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 Q84 1,2-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol × 1 NA SODIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate
Resolution 1.96 Å R-free 0.190
6PUM Structure of human MAIT A-F7 TCR in complex with human MR1-2'D-5-OP-RU Deposited 2019-07-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 Q84 1,2-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate
Resolution 1.96 Å R-free 0.190
6PVC Structure of human MAIT A-F7 TCR in complex with human MR1-DB28 Deposited 2019-07-20 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 P1J N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alanine × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；BTP (pH 6.0 - 6.5), PEG3350 and sodium acetate
Resolution 1.96 Å R-free 0.212
6PVC Structure of human MAIT A-F7 TCR in complex with human MR1-DB28 Deposited 2019-07-20 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 P1J N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alanine × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；BTP (pH 6.0 - 6.5), PEG3350 and sodium acetate
Resolution 1.96 Å R-free 0.212
6PVD Structure of human MAIT A-F7 TCR in complex with human MR1-NV18.1 Deposited 2019-07-20 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded N18 methyl N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate × 1 GOL GLYCEROL × 2 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；BTP (pH 6.0 - 6.5), PEG3350 and sodium acetate
Resolution 2.14 Å R-free 0.198
6PVD Structure of human MAIT A-F7 TCR in complex with human MR1-NV18.1 Deposited 2019-07-20 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded N18 methyl N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；BTP (pH 6.0 - 6.5), PEG3350 and sodium acetate
Resolution 2.14 Å R-free 0.198
6PYJ Crystal Structure of HLA-B*2705 in complex with LRN, a self-peptide Deposited 2019-07-30 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；20-30% PEG 4K, 0.2M Na Acetate and 0.1M Na Citrate pH 5.6
Resolution 1.44 Å R-free 0.220
6PYL Crystal Structure of HLA-B*2703 in complex with KK10, an HIV peptide Deposited 2019-07-30 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；20-30% PEG 4K, 0.2M Na Acetate and 0.1M Na Citrate pH 5.6
Resolution 1.52 Å R-free 0.230
6PYV Crystal Structure of HLA-B*2703-P47G in complex with LRN, a self-peptide Deposited 2019-07-31 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；20-30% PEG 4K, 0.2M Na Acetate and 0.1M Na Citrate pH 5.6
Resolution 1.45 Å R-free 0.231
6PYW Crystal Structure of HLA-B*2705-W60A in complex with LRN, a self-peptide Deposited 2019-07-31 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；20-30% PEG 4K, 0.2M Na Acetate and 0.1M Na Citrate pH 5.6
Resolution 1.38 Å R-free 0.220
6PZ5 Crystal Structure of HLA-B*2703 in complex with LRN, a self-peptide Deposited 2019-07-31 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；20-30% PEG 4K, 0.2M Na Acetate and 0.1M Na Citrate pH 5.6
Resolution 1.53 Å R-free 0.223
6Q3K Engineered Human HLA_A2 MHC Class I molecule in complex with NV9 peptide Deposited 2018-12-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 CO COBALT (II) ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；5 mM cobalt chloride, 5 mM cadmium chloride, 5 mM magnesium chloride, 5 mM nickel chloride, 0.1 M HEPES pH 7.5, 12 % PEG 3350.
Resolution 1.50 Å R-free 0.200
6Q3S Engineered Human HLA_A2 MHC Class I molecule in complex with TCR and SV9 peptide Deposited 2018-12-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M ammonium acetate; 0.1 M bis-tris pH 5.5, 17 %(w/v) PEG 10.000
Resolution 2.50 Å R-free 0.273
6QIO Ternary complex of FcRn ectodomain, FcRn binding optimised human serum albumin and the human growth hormone derivative somapacitan Deposited 2019-01-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 21–119（99 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 CYS CYSTEINE × 2 JG5 Somapacitan × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；ammonium acetate, sodium acetate, PEG4000
Resolution 1.95 Å R-free 0.226
6QIP Ternary complex of FcRn ectodomain, FcRn binding optimised human serum albumin and the albumin-biniding side chain of the human growth hormone derivative somapacitan Deposited 2019-01-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 21–119（99 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 JG5 Somapacitan × 1 BME BETA-MERCAPTOETHANOL × 1 CYS CYSTEINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；sodium cacodylate, PEG3350
Resolution 2.45 Å R-free 0.259
6R2L NYBR1-A2-SLSKILDTV Deposited 2019-03-18 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 2 GOL GLYCEROL × 3 SO4 SULFATE ION × 8 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；0.2 M NaCl, 0.1 M MES, 20% PEG 6000, pH 6.0 . Condition B07 from Molecular Dimensions PACT premier HT-96/FX-96, MD1-36
Resolution 2.30 Å R-free 0.265
6RP9 Crystal structure of the T-cell receptor NYE_S3 bound to HLA A2*01-SLLMWITQV Deposited 2019-05-14 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M ammonium sulphate, 15 % PEG8k, 0.1 M Tris pH7.5
Resolution 3.12 Å R-free 0.250
6RP9 Crystal structure of the T-cell receptor NYE_S3 bound to HLA A2*01-SLLMWITQV Deposited 2019-05-14 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M ammonium sulphate, 15 % PEG8k, 0.1 M Tris pH7.5
Resolution 3.12 Å R-free 0.250
6RPA Crystal structure of the T-cell receptor NYE_S2 bound to HLA A2*01-SLLMWITQV Deposited 2019-05-14 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.02 M sodium/potassium phosphate, 20 % PEG 3350
Resolution 2.56 Å R-free 0.293
6RPB Crystal structure of the T-cell receptor NYE_S1 bound to HLA A2*01-SLLMWITQV Deposited 2019-05-14 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Ammonium sulfate, 25 %(w/v) PEG 4000, 0.1 M tri-Sodium citrate pH 5.6
Resolution 2.50 Å R-free 0.273
6RPB Crystal structure of the T-cell receptor NYE_S1 bound to HLA A2*01-SLLMWITQV Deposited 2019-05-14 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Ammonium sulfate, 25 %(w/v) PEG 4000, 0.1 M tri-Sodium citrate pH 5.6
Resolution 2.50 Å R-free 0.273
6RPB Crystal structure of the T-cell receptor NYE_S1 bound to HLA A2*01-SLLMWITQV Deposited 2019-05-14 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Ammonium sulfate, 25 %(w/v) PEG 4000, 0.1 M tri-Sodium citrate pH 5.6
Resolution 2.50 Å R-free 0.273
6RPB Crystal structure of the T-cell receptor NYE_S1 bound to HLA A2*01-SLLMWITQV Deposited 2019-05-14 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain Q 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Ammonium sulfate, 25 %(w/v) PEG 4000, 0.1 M tri-Sodium citrate pH 5.6
Resolution 2.50 Å R-free 0.273
6RSY The complex between TCR a7b2 and human Class I MHC HLA-A0201-WT1 with the bound RMFPNAPYL peptide. Deposited 2019-05-22 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；7.5% PEG 8 K , 0.75 M NaCl , 50mM HEPES , pH 7.0
Resolution 2.95 Å R-free 0.291
6RSY The complex between TCR a7b2 and human Class I MHC HLA-A0201-WT1 with the bound RMFPNAPYL peptide. Deposited 2019-05-22 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；7.5% PEG 8 K , 0.75 M NaCl , 50mM HEPES , pH 7.0
Resolution 2.95 Å R-free 0.291
6SS7 Human Leukocyte Antigen Class I A02 Carrying LLWAGPMAV Deposited 2019-09-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded NA SODIUM ION × 1 EDO 1,2-ETHANEDIOL × 2 SO4 SULFATE ION × 5 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Sodium Cacodylate pH 6.0, 0.2 M Ammonium Sulphate, 25% PEG 4000. A2/LLW-7I crystals were grown in 0.1 M Mes pH 7.0, 0.2 M Ammonium Sulphate, 25% PEG 8000
Resolution 2.50 Å R-free 0.304
6SS7 Human Leukocyte Antigen Class I A02 Carrying LLWAGPMAV Deposited 2019-09-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded NA SODIUM ION × 1 EDO 1,2-ETHANEDIOL × 5 SO4 SULFATE ION × 5 GOL GLYCEROL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Sodium Cacodylate pH 6.0, 0.2 M Ammonium Sulphate, 25% PEG 4000. A2/LLW-7I crystals were grown in 0.1 M Mes pH 7.0, 0.2 M Ammonium Sulphate, 25% PEG 8000
Resolution 2.50 Å R-free 0.304
6SS8 Human Leukocyte Antigen Class I A02 Carrying LLWNGPIAV Deposited 2019-09-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 EDO 1,2-ETHANEDIOL × 1 SO4 SULFATE ION × 6 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Mes pH 7.0, 0.2 M Amonium Sulphate, 25 % PEG 8000
Resolution 2.24 Å R-free 0.277
6SS8 Human Leukocyte Antigen Class I A02 Carrying LLWNGPIAV Deposited 2019-09-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 6 SO4 SULFATE ION × 5 PEG DI(HYDROXYETHYL)ETHER × 1 P4G 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Mes pH 7.0, 0.2 M Amonium Sulphate, 25 % PEG 8000
Resolution 2.24 Å R-free 0.277
6SS9 Human Leukocyte Antigen Class I A02 Carrying LLWNGPMHV Deposited 2019-09-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 SO4 SULFATE ION × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Sodium Cacodylate pH 6.5, 0.2 M Ammonium Sulphate, 20 % PEG 4000
Resolution 2.70 Å R-free 0.301
6SS9 Human Leukocyte Antigen Class I A02 Carrying LLWNGPMHV Deposited 2019-09-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded SO4 SULFATE ION × 2 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Sodium Cacodylate pH 6.5, 0.2 M Ammonium Sulphate, 20 % PEG 4000
Resolution 2.70 Å R-free 0.301
6SSA Human Leukocyte Antigen Class I A02 Carrying LLWNGPMQV Deposited 2019-09-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 1 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1 M Sodium Cacodylate pH 6.5, 0.2 M Ammonium Sulphate, 20 % PEG 4000
Resolution 2.11 Å R-free 0.271
6SSA Human Leukocyte Antigen Class I A02 Carrying LLWNGPMQV Deposited 2019-09-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1 M Sodium Cacodylate pH 6.5, 0.2 M Ammonium Sulphate, 20 % PEG 4000
Resolution 2.11 Å R-free 0.271
6SSA Human Leukocyte Antigen Class I A02 Carrying LLWNGPMQV Deposited 2019-09-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 4 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1 M Sodium Cacodylate pH 6.5, 0.2 M Ammonium Sulphate, 20 % PEG 4000
Resolution 2.11 Å R-free 0.271
6SSA Human Leukocyte Antigen Class I A02 Carrying LLWNGPMQV Deposited 2019-09-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain K 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 5 PEG DI(HYDROXYETHYL)ETHER × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1 M Sodium Cacodylate pH 6.5, 0.2 M Ammonium Sulphate, 20 % PEG 4000
Resolution 2.11 Å R-free 0.271
6TDO Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GM dipeptide in the A pocket. Deposited 2019-11-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded GLY GLYCINE × 1 MET METHIONINE × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.2 M magnesium acetate, 0.1 M sodium cacodylate pH 6.5, and 20% PEG 800
Resolution 1.65 Å R-free 0.224
6TDP Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GL dipeptide in the A pocket. Deposited 2019-11-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded NA SODIUM ION × 1 GLY GLYCINE × 1 LEU LEUCINE × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M HEPES pH 7.5, 20% PEG 10 000, 8% ethylene glycol
Resolution 1.40 Å R-free 0.227
6TDQ Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GM dipeptide in the A pocket and one GM dipeptide in the F pocket. Deposited 2019-11-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 5 GLY GLYCINE × 2 MET METHIONINE × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M HEPES pH 7.5, 20% PEG 10 000, 8% ethylene glycol
Resolution 1.60 Å R-free 0.214
6TDQ Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GM dipeptide in the A pocket and one GM dipeptide in the F pocket. Deposited 2019-11-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 4 GLY GLYCINE × 2 MET METHIONINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M HEPES pH 7.5, 20% PEG 10 000, 8% ethylene glycol
Resolution 1.60 Å R-free 0.214
6TDR Crystal structure of the disulfide engineered HLA-A0201 molecule devoid of peptide (annealed) Deposited 2019-11-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M HEPES pH 7.5, 20% PEG 10 000, 8% ethylene glycol
Resolution 1.75 Å R-free 0.230
6TDR Crystal structure of the disulfide engineered HLA-A0201 molecule devoid of peptide (annealed) Deposited 2019-11-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M HEPES pH 7.5, 20% PEG 10 000, 8% ethylene glycol
Resolution 1.75 Å R-free 0.230
6TDS Crystal structure of the disulfide engineered HLA-A0201 molecule without peptide bound after NaCl wash Deposited 2019-11-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 4 NA SODIUM ION × 8 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M HEPES pH 7.5, 20% PEG 10 000, 8% ethylene glycol
Resolution 1.70 Å R-free 0.248
6TDS Crystal structure of the disulfide engineered HLA-A0201 molecule without peptide bound after NaCl wash Deposited 2019-11-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 3 NA SODIUM ION × 7 CL CHLORIDE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M HEPES pH 7.5, 20% PEG 10 000, 8% ethylene glycol
Resolution 1.70 Å R-free 0.248
6TMO Structure determination of an enhanced affinity TCR, a24b17, in complex with HLA-A*02:01 presenting a MART-1 peptide, EAAGIGILTV Deposited 2019-12-05 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 5 EDO 1,2-ETHANEDIOL × 7 SO4 SULFATE ION × 5 TAM TRIS(HYDROXYETHYL)AMINOMETHANE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；0.1 M HEPES pH 7.5 0.2 M Ammonium Sulphate 15 % PEG 4000 8.7% Glycerol
Resolution 2.10 Å R-free 0.209
6TRN Crystal structure of HLA A2*01-AVYDGREHTV Deposited 2019-12-19 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M potassium sodium tartrate, 0.1 M bis-tris propane pH6.5, 20 % PEG 3350
Resolution 1.35 Å R-free 0.200
6TRO Crystal structure of the T-cell receptor GVY01 bound to HLA A2*01-GVYDGREHTV Deposited 2019-12-19 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1 M succinic acid, 0.1 M HEPES pH 7.0, 1 % w/v PEG MME 2k
Resolution 3.00 Å R-free 0.270
6UJ7 Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide Deposited 2019-10-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–119（119 aa）
Not recorded K POTASSIUM ION × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；0.1 M Hepes pH 7.5, 0.2 M NaCl, 25% PEG4000
Resolution 1.90 Å R-free 0.238
6UJ7 Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide Deposited 2019-10-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 1–119（119 aa）
Not recorded NA SODIUM ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；0.1 M Hepes pH 7.5, 0.2 M NaCl, 25% PEG4000
Resolution 1.90 Å R-free 0.238
6UJ8 Crystal structure of HLA-B*07:02 with wild-type IDH2 peptide Deposited 2019-10-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–119（119 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 4 1PE PENTAETHYLENE GLYCOL × 1 SO4 SULFATE ION × 2 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；0.1 M MES pH 6.5, 0.2 M KI, 30% PEG4000
Resolution 2.25 Å R-free 0.260
6UJ8 Crystal structure of HLA-B*07:02 with wild-type IDH2 peptide Deposited 2019-10-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 1–119（119 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 SO4 SULFATE ION × 1 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；0.1 M MES pH 6.5, 0.2 M KI, 30% PEG4000
Resolution 2.25 Å R-free 0.260
6UJ9 Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide in complex with Fab Deposited 2019-10-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 1–119（119 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 6 NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 1 SO4 SULFATE ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.5；292 K；0.1 M CHES, 20% PEG8000
Resolution 2.90 Å R-free 0.287
6UJO HHAT L75F Neoantigen Peptide KQWLVWLFL Presented by HLA-A206 Deposited 2019-10-03 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295.5 K；10% PEG3350, 0.1 M magnesium chloride, 0.1 M sodium citrate, pH 6.5
Resolution 2.25 Å R-free 0.222
6UJQ HHAT Wild Type Peptide KQWLVWLLL Presented by HLA-A206 Deposited 2019-10-03 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.1；295.5 K；0.1 M Tris-HCl, pH 8.1, 30% PEG4000, 0.20 M ammonium sulfate
Resolution 2.55 Å R-free 0.228
6UK2 Complex of T cell Receptor with HHAT Wild Type Peptide KQWLVWLLL Presented by HLA-A206 Deposited 2019-10-04 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.3；277 K；0.1 M sodium citrate, pH 6.3, 8.5% PEG6000, 0.20 M lithium nitrate
Resolution 3.14 Å R-free 0.260
6UK4 Complex of T cell Receptor with HHAT Neoantigen Peptide KQWLVWLFL Presented by HLA-A206 Deposited 2019-10-04 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.3；277 K；0.1 M sodium citrate, pH 6.3, 7.5% PEG6000, 0.2 M lithium nitrate
Resolution 2.70 Å R-free 0.252
6ULI Molecular basis for tumor infiltrating TCR recognition of hotspot KRAS-G12D mutation Deposited 2019-10-08 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Bis-Tris pH 6.5, 0.05M CaCl2 dihydrate, 30% PEG MME 500
Resolution 1.88 Å R-free 0.226
6ULK Molecular basis for tumor infiltrating TCR recognition of hotspot KRAS-G12D mutation Deposited 2019-10-08 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Bis-Tris pH 6.5, 0.05M CaCl2 dihydrate, 30% PEG MME 500
Resolution 1.90 Å R-free 0.270
6ULN Molecular basis for tumor infiltrating TCR recognition of hotspot KRAS-G12D mutation Deposited 2019-10-08 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 2 GOL GLYCEROL × 6 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；22% PEG 3350, 0.1M MOPS pH 7.1 and 0.25M MgSO4
Resolution 2.01 Å R-free 0.217
6ULR Molecular basis for tumor infiltrating TCR recognition of hotspot KRAS-G12D mutation Deposited 2019-10-08 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；22% PEG 3350, 0.1M MOPS pH 7.1 and 0.25M MgSO4
Resolution 3.20 Å R-free 0.262
6UON Molecular basis for tumor infiltrating TCR recognition of hotspot KRAS-G12D mutation Deposited 2019-10-15 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；12.5% PEG 4000, 0.1M Na Cacodylate pH 5.8, 0.2M (NH4)2SO4 and 10% glycerol
Resolution 3.50 Å R-free 0.294
6UON Molecular basis for tumor infiltrating TCR recognition of hotspot KRAS-G12D mutation Deposited 2019-10-15 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；12.5% PEG 4000, 0.1M Na Cacodylate pH 5.8, 0.2M (NH4)2SO4 and 10% glycerol
Resolution 3.50 Å R-free 0.294
6UZ1 Noncanonical binding of single-chain A6 TCR variant S3-4 in complex with Tax/HLA-A2 Deposited 2019-11-14 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；10%w/v Polyethylene glycol 20,000, 100mMMES, pH 6.5
Resolution 3.14 Å R-free 0.239
6UZ1 Noncanonical binding of single-chain A6 TCR variant S3-4 in complex with Tax/HLA-A2 Deposited 2019-11-14 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；10%w/v Polyethylene glycol 20,000, 100mMMES, pH 6.5
Resolution 3.14 Å R-free 0.239
6UZM HLA-B*15:02 complexed with a synthetic peptide Deposited 2019-11-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 1 ACT ACETATE ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.2 ammonium acetate, 0.M tri-sodium citrate dihydrate pH5.6, 30% w/v PEG4000
Resolution 1.80 Å R-free 0.231
6UZN HLA-B*15:02 complexed with a synthetic peptide Deposited 2019-11-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 ACT ACETATE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.2 ammonium acetate, 0.M tri-sodium citrate dihydrate pH5.6, 30% w/v PEG4000
Resolution 2.22 Å R-free 0.228
6UZO HLA-B*15:02 complexed with a synthetic peptide Deposited 2019-11-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.2 ammonium acetate, 0.M tri-sodium citrate dihydrate pH5.6, 30% w/v PEG4000
Resolution 2.35 Å R-free 0.239
6UZP HLA-B*15:01 complexed with a synthetic peptide Deposited 2019-11-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 4 ACT ACETATE ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.2 ammonium acetate, 0.M tri-sodium citrate dihydrate pH5.6, 30% w/v PEG4000
Resolution 2.08 Å R-free 0.248
6UZQ HLA-B*15:01 complexed with a synthetic peptide Deposited 2019-11-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 2 EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.2 ammonium acetate, 0.M tri-sodium citrate dihydrate pH5.6, 30% w/v PEG4000
Resolution 2.40 Å R-free 0.253
6UZS HLA-B*15:01 complexed with a synthetic peptide Deposited 2019-11-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 2 GOL GLYCEROL × 4 EDO 1,2-ETHANEDIOL × 8 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.2 ammonium acetate, 0.M tri-sodium citrate dihydrate pH5.6, 30% w/v PEG4000
Resolution 1.90 Å R-free 0.223
6V2O HLA-B*57:01 presenting the peptide ASLNLPAVSW Deposited 2019-11-25 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；294 K；20 % PEG 4000, 0.2 M ammonium acetate, 0.1 M tri-sodium citrate pH 5.4
Resolution 1.27 Å R-free 0.159
6V2P HLA-B*57:03 presenting the peptide ASLNLPAVSW Deposited 2019-11-25 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；294 K；20 % PEG 4000, 0.2 M ammonium acetate, 0.1 M tri-sodium citrate pH 5.4
Resolution 1.30 Å R-free 0.163
6V2Q HLA-B*57:03 presenting the peptide LSSPVTKSF Deposited 2019-11-25 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；294 K；20 % PEG 4000, 0.2 M ammonium acetate, 0.1 M tri-sodium citrate pH 5.4
Resolution 1.60 Å R-free 0.194
6V3J KIR3DL1 in complex with HLA-B*57:03 presenting the peptide LSSPVTKSF Deposited 2019-11-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；294 K；14% PEG 3350, 2% tacsimate, pH 5.0, 0.1 M tri-sodium citrate pH 5.6
Resolution 1.98 Å R-free 0.236
6V7Y Human CD1d presenting alpha-Galactosylceramide in complex with VHH nanobody 1D5 Deposited 2019-12-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 SO4 SULFATE ION × 5 AGH N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE × 1 CL CHLORIDE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2M Ammonium Sulphate, 0.1M Tris-HCl pH 7.0, 0.2M Lithium Sulphate
Resolution 2.40 Å R-free 0.276
6V7Z Human CD1d presenting alpha-Galactosylceramide in complex with VHH nanobody 1D22 Deposited 2019-12-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 AGH N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE × 1 PEG DI(HYDROXYETHYL)ETHER × 2 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 BGC beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.3；293 K；29% (v/v) PEG3350, 0.2M ammonium sulphate, 0.1M Bis-Tris (pH 5.3), 3% (v/v) glucose monohydrate
Resolution 2.75 Å R-free 0.252
6V7Z Human CD1d presenting alpha-Galactosylceramide in complex with VHH nanobody 1D22 Deposited 2019-12-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded AGH N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.3；293 K；29% (v/v) PEG3350, 0.2M ammonium sulphate, 0.1M Bis-Tris (pH 5.3), 3% (v/v) glucose monohydrate
Resolution 2.75 Å R-free 0.252
6V80 Crystal structure of human CD1d presenting alpha-Galactosylceramide in complex with NKT12 TCR and VHH nanobody 1D12 Deposited 2019-12-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded AGH N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；21 % (v/v) PEG 3350, 0.2 M tri-sodium citrate, 3% (v/v) D-(+)-trehalose dehydrate
Resolution 3.53 Å R-free 0.254
6V80 Crystal structure of human CD1d presenting alpha-Galactosylceramide in complex with NKT12 TCR and VHH nanobody 1D12 Deposited 2019-12-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded AGH N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；21 % (v/v) PEG 3350, 0.2 M tri-sodium citrate, 3% (v/v) D-(+)-trehalose dehydrate
Resolution 3.53 Å R-free 0.254
6VB0 HLA-B*15:02 complexed with a synthetic peptide Deposited 2019-12-18 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.2M ammonium acetate, 0.1M tri-sodium citrate dihydrate pH5.6, 30% w/v PEG4000
Resolution 1.90 Å R-free 0.213
6VB1 HLA-B*15:02 complexed with a synthetic peptide Deposited 2019-12-18 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 3 GOL GLYCEROL × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.2 ammonium acetate, 0.M tri-sodium citrate dihydrate pH5.6, 30% w/v PEG4000
Resolution 1.75 Å R-free 0.215
6VB2 HLA-B*15:02 complexed with a synthetic peptide Deposited 2019-12-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 22–117（96 aa）
Not recorded NA SODIUM ION × 1 GOL GLYCEROL × 2 ACT ACETATE ION × 2 EDO 1,2-ETHANEDIOL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.2 ammonium acetate, 0.M tri-sodium citrate dihydrate pH5.6, 30% w/v PEG4000
Resolution 1.41 Å R-free 0.232
6VB3 HLA-B*15:01 complexed with a synthetic peptide Deposited 2019-12-18 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 NA SODIUM ION × 2 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.2 ammonium acetate, 0.M tri-sodium citrate dihydrate pH5.6, 30% w/v PEG4000
Resolution 2.00 Å R-free 0.307
6VB4 HLA-B*15:02 complexed with a synthetic peptide Deposited 2019-12-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–118（98 aa）
Not recorded ACT ACETATE ION × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.2 ammonium acetate, 0.M tri-sodium citrate dihydrate pH5.6, 30% w/v PEG4000
Resolution 2.33 Å R-free 0.243
6VB5 HLA-B*15:02 complexed with a synthetic peptide Deposited 2019-12-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–118（98 aa）
Not recorded ACT ACETATE ION × 2 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.2 ammonium acetate, 0.M tri-sodium citrate dihydrate pH5.6, 30% w/v PEG4000
Resolution 2.15 Å R-free 0.224
6VB6 HLA-B*15:02 complexed with a synthetic peptide Deposited 2019-12-18 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.2 ammonium acetate, 0.M tri-sodium citrate dihydrate pH5.6, 30% w/v PEG4000
Resolution 2.15 Å R-free 0.242
6VB7 HLA-B*15:02 complexed with a synthetic peptide Deposited 2019-12-18 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 2 GOL GLYCEROL × 3 EDO 1,2-ETHANEDIOL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.2 ammonium acetate, 0.M tri-sodium citrate dihydrate pH5.6, 30% w/v PEG4000
Resolution 2.10 Å R-free 0.257
6VIU HLA-B*15:02 complexed with a synthetic peptide Deposited 2020-01-14 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.2 ammonium acetate, 0.M tri-sodium citrate dihydrate pH5.6, 30% w/v PEG4000
Resolution 2.33 Å R-free 0.243
6VM7 SILv44 T cell receptor bound to HLA-A2 presenting gp100 peptide (ITDQVPFSV) Deposited 2020-01-27 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；16% v/v PEG3350, 280 mM ammonium citrate dibasic
Resolution 2.41 Å R-free 0.241
6VM8 SILv44 T cell receptor bound to HLA-A2 presenting gp100T2M peptide (IMDQVPFSV) Deposited 2020-01-27 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Mutation：0 FLC CITRATE ANION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；20% v/v PEG3350, 236 mM ammonium citrate dibasic
Resolution 2.41 Å R-free 0.221
6VM9 T4H2 T cell receptor bound to HLA-A2 presenting gp100T2M peptide (IMDQVPFSV) Deposited 2020-01-27 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；296 K；18% v/v PEG10000, 16% v/v glycerol, 250 mM Tris pH 8.5, 60 mM sodium chloride, seeded with crushed crystals
Resolution 2.90 Å R-free 0.250
6VMA T4H2 T cell receptor bound to HLA-A2 presenting gp100 peptide (ITDQVPFSV) Deposited 2020-01-27 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；296 K；18% v/v PEG10000, 16% v/v glycerol, 100 mM Tris pH 8.5, 100 mM sodium chloride
Resolution 2.75 Å R-free 0.219
6VMC T4H2 T cell receptor bound to HLA-A2 presenting gp100T2L peptide (ILDQVPFSV) Deposited 2020-01-27 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；296 K；18% v/v PEG10000, 16% v/v glycerol, 250 mM Tris pH 8.5, 60 mM sodium chloride
Resolution 2.85 Å R-free 0.238
6VMX Structure of HD14 TCR in complex with HLA-B7 presenting an EBV epitope Deposited 2020-01-28 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；8 mg/mL in 24% PEG 400, 0.1 M NaCl, 0.1 M sodium-citrate pH 6
Resolution 3.10 Å R-free 0.242
6VMX Structure of HD14 TCR in complex with HLA-B7 presenting an EBV epitope Deposited 2020-01-28 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；8 mg/mL in 24% PEG 400, 0.1 M NaCl, 0.1 M sodium-citrate pH 6
Resolution 3.10 Å R-free 0.242
6VPZ HLA-B*27:05 presenting an HIV-1 11mer peptide Deposited 2020-02-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.3；277 K；20 %w/v Polyethylene Glycol 3350, 0.2 M Ammonium Chloride
Resolution 2.10 Å R-free 0.235
6VQ2 HLA-B*27:05 presenting an HIV-1 14mer peptide Deposited 2020-02-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；20 %w/v Polyethylene Glycol 8000, 0.05 M Potassium di-Hydrogen Phosphate
Resolution 2.25 Å R-free 0.230
6VQD HLA-B*27:05 presenting an HIV-1 8mer peptide Deposited 2020-02-05 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.8；277 K；20 %w/v Polyethylene Glycol 3350, 0.2 M Potassium di-Hydrogen Phosphate
Resolution 1.88 Å R-free 0.206
6VQE HLA-B*27:05 presenting an HIV-1 13mer peptide Deposited 2020-02-05 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.8；277 K；20 %w/v Polyethylene Glycol 3350, 0.2 M Potassium di-Hydrogen Phosphate
Resolution 1.77 Å R-free 0.186
6VQO T cell receptor-p53-HLA-A2 complex Deposited 2020-02-05 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；295 K；12% (w/v) PEG 8000, 0.1 M magnesium acetate
Resolution 3.00 Å R-free 0.211
6VQO T cell receptor-p53-HLA-A2 complex Deposited 2020-02-05 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；295 K；12% (w/v) PEG 8000, 0.1 M magnesium acetate
Resolution 3.00 Å R-free 0.211
6VQY HLA-B*27:05 presenting an HIV-1 7mer peptide Deposited 2020-02-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ARG ARGININE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；30 %w/v Polyethylene Glycol Monomethyl Ether 5000, 0.2 M Ammonium Sulphate, 0.1 M MES pH 6.5
Resolution 2.57 Å R-free 0.238
6VQY HLA-B*27:05 presenting an HIV-1 7mer peptide Deposited 2020-02-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded ARG ARGININE × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；30 %w/v Polyethylene Glycol Monomethyl Ether 5000, 0.2 M Ammonium Sulphate, 0.1 M MES pH 6.5
Resolution 2.57 Å R-free 0.238
6VQZ HLA-B*27:05 presenting an HIV-1 6mer peptide Deposited 2020-02-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ARG ARGININE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；30 %w/v Polyethylene Glycol Monomethyl Ether 5000, 0.2 M Ammonium Sulphate, 0.1 M MES pH 6.5
Resolution 2.25 Å R-free 0.244
6VQZ HLA-B*27:05 presenting an HIV-1 6mer peptide Deposited 2020-02-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded ARG ARGININE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；30 %w/v Polyethylene Glycol Monomethyl Ether 5000, 0.2 M Ammonium Sulphate, 0.1 M MES pH 6.5
Resolution 2.25 Å R-free 0.244
6VR1 Complex of HLA-A2, a class I MHC, with a p53 peptide Deposited 2020-02-06 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；296 K；15% PEG 8000, 0.1 M Tris-HCl, 0.2 M magnesium chloride
Resolution 2.37 Å R-free 0.274
6VR1 Complex of HLA-A2, a class I MHC, with a p53 peptide Deposited 2020-02-06 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；296 K；15% PEG 8000, 0.1 M Tris-HCl, 0.2 M magnesium chloride
Resolution 2.37 Å R-free 0.274
6VR5 Complex of HLA-A2, a class I MHC, with a p53 peptide Deposited 2020-02-06 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；295 K；15% PEG 8000, 0.1 M Tris-HCl, 0.2 M magnesium chloride
Resolution 2.38 Å R-free 0.280
6VR5 Complex of HLA-A2, a class I MHC, with a p53 peptide Deposited 2020-02-06 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；295 K；15% PEG 8000, 0.1 M Tris-HCl, 0.2 M magnesium chloride
Resolution 2.38 Å R-free 0.280
6VRM T cell receptor-p53-HLA-A2 complex Deposited 2020-02-08 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；295 K；20% (w/v) polyacrylic acid 5100, 0.1 M HEPES, 20 mM MgCl2
Resolution 2.61 Å R-free 0.275
6VRN T cell receptor-p53-HLA-A2 complex Deposited 2020-02-08 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.7；295 K；20% (w/v) PEG 3350, 0.2 M ammonium tartrate dibasic
Resolution 2.46 Å R-free 0.259
6W51 Structure of the antibody fragment H2 in complex with HLA-A*02:01/p53R175H Deposited 2020-03-12 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 1–119（119 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；0.2 M Ammonium chloride, 20% w/v PEG 3350
Resolution 3.53 Å R-free 0.283
6W51 Structure of the antibody fragment H2 in complex with HLA-A*02:01/p53R175H Deposited 2020-03-12 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 1–119（119 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；0.2 M Ammonium chloride, 20% w/v PEG 3350
Resolution 3.53 Å R-free 0.283
6W51 Structure of the antibody fragment H2 in complex with HLA-A*02:01/p53R175H Deposited 2020-03-12 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain H 1–119（119 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；0.2 M Ammonium chloride, 20% w/v PEG 3350
Resolution 3.53 Å R-free 0.283
6W51 Structure of the antibody fragment H2 in complex with HLA-A*02:01/p53R175H Deposited 2020-03-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain K 1–119（119 aa）
Not recorded PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；0.2 M Ammonium chloride, 20% w/v PEG 3350
Resolution 3.53 Å R-free 0.283
6W9U Structure of human MAIT A-F7 TCR in complex with patient MR1-R9H-Ac-6-FP Deposited 2020-03-23 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded TKG 1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone × 1 GOL GLYCEROL × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.3；298 K；PEG3350, BTP, Cacl2
Resolution 1.89 Å R-free 0.197
6W9U Structure of human MAIT A-F7 TCR in complex with patient MR1-R9H-Ac-6-FP Deposited 2020-03-23 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded TKG 1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.3；298 K；PEG3350, BTP, Cacl2
Resolution 1.89 Å R-free 0.197
6W9V Structure of human MAIT A-F7 TCR in complex with patient MR1-R9H without ligand Deposited 2020-03-23 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.3；298 K；PEG3350, BTP, Cacl2
Resolution 1.95 Å R-free 0.200
6W9V Structure of human MAIT A-F7 TCR in complex with patient MR1-R9H without ligand Deposited 2020-03-23 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.3；298 K；PEG3350, BTP, Cacl2
Resolution 1.95 Å R-free 0.200
6WNA Next generation monomeric IgG4 Fc Deposited 2020-04-22 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；295 K；0.2 M magnesium chloride hexahydrate, 30% 1,5-diaminopentane dihydrochloride, 0.1 M MES, pH 6 and 20% PEG 6000 at a protein concentration of 6 mg/mL
Resolution 2.40 Å R-free 0.263
6WOL Next generation monomeric IgG4 Fc bound to neonatal Fc receptor Deposited 2020-04-24 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6；295 K；0.2 M magnesium chloride hexahydrate, 1 M sodium iodide, 0.1 M MES, pH 6 and 20% PEG 6000 at a protein concentration of 6.35 mg/mL
Resolution 2.49 Å R-free 0.270
6WZY Structure of DbNA(10) peptides bound to H-2Db MHC-I Deposited 2020-05-14 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；0.1M sodium citrate pH 5.7, 0.2M LiSO4 and 24-28% (w/v) PEG3350
Resolution 1.50 Å R-free 0.204
6X00 Structure of DbNA(11) peptides bound to H-2Db MHC-I Deposited 2020-05-14 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；0.1M sodium citrate pH 5.7, 0.2M Li2SO4 and 24-28% (w/v) PEG3350
Resolution 1.55 Å R-free 0.215
6XQA Crystal Structure of HLA A*2402 in complex with TYQWVLKNL, an 9-mer epitope from Influenza B virus Deposited 2020-07-09 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；24% PEG8000, 0.1 HEPES pH 7.5, 2% isopropanol, 5% w/v Polyvinylpyrrolidone K15
Resolution 2.16 Å R-free 0.229
6XQA Crystal Structure of HLA A*2402 in complex with TYQWVLKNL, an 9-mer epitope from Influenza B virus Deposited 2020-07-09 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；24% PEG8000, 0.1 HEPES pH 7.5, 2% isopropanol, 5% w/v Polyvinylpyrrolidone K15
Resolution 2.16 Å R-free 0.229
6XQP Structure of human D462-E4 TCR in complex with human MR1-5-OP-RU Deposited 2020-07-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 GOL GLYCEROL × 2 BR BROMIDE ION × 1 NA SODIUM ION × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；18-26% PEG3350, 100 mM Bis-Tris Propane 200 mM Sodium Bromide
Resolution 2.90 Å R-free 0.235
6XQP Structure of human D462-E4 TCR in complex with human MR1-5-OP-RU Deposited 2020-07-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 GOL GLYCEROL × 5 BR BROMIDE ION × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；18-26% PEG3350, 100 mM Bis-Tris Propane 200 mM Sodium Bromide
Resolution 2.90 Å R-free 0.235
6Y26 Crystal structure of HLA-B2705 complexed with the nona-peptide mA Deposited 2020-02-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% (w/v) PEG8000, 150 mM NaCl and 100 mM Tris-HCl, pH 7.0
Resolution 1.20 Å R-free 0.174
6Y27 Crystal structure of HLA-B2709 complexed with the nona-peptide mA Deposited 2020-02-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；20% (w/v) PEG8000, 150 mM NaCl and 100 mM Tris-HCl, pH 7.0
Resolution 1.38 Å R-free 0.194
6Y28 Crystal structure of HLA-B2705 complexed with the nona-peptide mE Deposited 2020-02-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；20% (w/v) PEG8000, 150 mM NaCl and 100 mM Tris-HCl, pH 7.0
Resolution 1.69 Å R-free 0.236
6Y29 Crystal structure of HLA-B2709 complexed with the nona-peptide mE Deposited 2020-02-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；20% (w/v) PEG8000, 150 mM NaCl and 100 mM Tris-HCl, pH 7.0
Resolution 1.28 Å R-free 0.169
6Y2A Crystal structure of HLA-B2705 complexed with the nona-peptide mQ Deposited 2020-02-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；20% (w/v) PEG8000, 150 mM NaCl and 100 mM Tris-HCl, pH 7.0
Resolution 1.25 Å R-free 0.155
6Y2B Crystal structure of HLA-B2709 complexed with the nona-peptide mQ Deposited 2020-02-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；20% (w/v) PEG8000, 150 mM NaCl and 100 mM Tris-HCl, pH 7.0
Resolution 1.37 Å R-free 0.181
6Z9V Human Class I Major Histocompatibility Complex, A02 allele, presenting IIGWMWIPV Deposited 2020-06-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 5 GOL GLYCEROL × 1 SO4 SULFATE ION × 3 NA SODIUM ION × 1 P4G 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；PACT premier screen, condition G06: 0.2M Na Formate, 0.1M Bis-Tris Propane, 20% PEG 3350
Resolution 2.01 Å R-free 0.216
6Z9V Human Class I Major Histocompatibility Complex, A02 allele, presenting IIGWMWIPV Deposited 2020-06-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 5 GOL GLYCEROL × 5 SO4 SULFATE ION × 1 P4G 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；PACT premier screen, condition G06: 0.2M Na Formate, 0.1M Bis-Tris Propane, 20% PEG 3350
Resolution 2.01 Å R-free 0.216
6Z9W Human Class I Major Histocompatibility Complex, A02 allele, presenting LLGWVFAQV Deposited 2020-06-04 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；295 K；PACT premier screen, condition D02: 0.1M MMT buffer, 25% PEG 1500
Resolution 2.70 Å R-free 0.281
6Z9W Human Class I Major Histocompatibility Complex, A02 allele, presenting LLGWVFAQV Deposited 2020-06-04 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；295 K；PACT premier screen, condition D02: 0.1M MMT buffer, 25% PEG 1500
Resolution 2.70 Å R-free 0.281
6Z9X Human Class I Major Histocompatibility Complex, A02 allele, presenting LLS (t-butyl)Y FGTPT Deposited 2020-06-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；25% PEG 4000, 0.1 M Cacodylate buffer, 5% glycerol
Resolution 2.68 Å R-free 0.241
6Z9X Human Class I Major Histocompatibility Complex, A02 allele, presenting LLS (t-butyl)Y FGTPT Deposited 2020-06-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；25% PEG 4000, 0.1 M Cacodylate buffer, 5% glycerol
Resolution 2.68 Å R-free 0.241
6ZKW Crystal structure of InhA:01 TCR in complex with HLA-E bound to InhA (53-61) Deposited 2020-06-30 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293.15 K；0.1 M TRIS pH 8.5, 25 % (w/v) PEG 4000, 15 % Glycerol
Resolution 2.26 Å R-free 0.287
6ZKX Crystal structure of InhA:01 TCR in complex with HLA-E (Y84C) bound to InhA (53-61 GCG) Deposited 2020-06-30 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293.15 K；0.1 M Tris pH 8.5, 25% (w/v) PEG 4000, 15% Glycerol
Resolution 2.17 Å R-free 0.244
6ZKY Crystal structure of InhA:01 TCR in complex with HLA-E (S147C) bound to InhA (53-61 H3C) Deposited 2020-06-30 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；0.1 M Sodium chloride, 0.1 M BIS-TRIS pH 6.5, 1.5 M Ammonium sulfate
Resolution 2.65 Å R-free 0.273
6ZKZ Crystal structure of InhA:01 TCR in complex with HLA-E (F116C) bound to InhA (53-61 H4C) Deposited 2020-06-30 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293.15 K；0.1 M Tris pH 8.5, 20% (w/v) PEG 4000, 15% Glycerol
Resolution 2.30 Å R-free 0.267
7AFV Crystal structure of tetrameric beta-2-microglobulin deltaN6 S52C stabilized by a covalent ligand Deposited 2020-09-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetramer
Chain A 27–116（90 aa）
Chain B 27–116（90 aa）
Not recorded TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 SJK 5-oxidanylidene-~{N}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Drop protein volume 0.2 uL Drop well volume 0.1 uL 0.04 M Porpheus Alcohol Mix (Complex ingredient) 0.1 M Morpheus Buffer System 3 pH 8.5 (Buffer) 31 %w/v Morpheus Precipitant Mix 4 (Precipitant) Stock Solutions: Porpheus Alcohol Mix 0.2 M 1,6-hexanediol, 0.2 M 1-butanol, 0.2 M (RS)-1,2-propanediol, 0.2 M 2-propanol, 0.2 M 1,4-butanediol, 0.2 M 1,3-propanediol (for a final concentration of 6.7 mM of 1,6-hexanediol, 1-butanol, (RS)-1,2-propanediol, 2-propanol, 1,4-butanediol, 1,3-propanediol) Morpheus Buffer System 3 pH 8.5 1M Tris and 1M BICINE (for a final concentration of 39.1 mM Bicine pH = 5.03 and 60.9 M Tris pH = 10.83) Morpheus Precipitant Mix 25% w/v PEG 3350, 25% w/v PEG 1000, 25% v/v MPD (for a final concentration of 7.75% w/v PEG 1000, 7.75% w/v PEG 3350 and 7.75% v/v MPD)
Resolution 2.40 Å R-free 0.288
7ALO Structure of B*27:09/photoRL9 Deposited 2020-10-07 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 5 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 1PE PENTAETHYLENE GLYCOL × 1 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；291 K；20% (w/v) polyethylene glycol 3350, and 200 mM KSCN
Resolution 1.80 Å R-free 0.266
7ALO Structure of B*27:09/photoRL9 Deposited 2020-10-07 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded GOL GLYCEROL × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；291 K；20% (w/v) polyethylene glycol 3350, and 200 mM KSCN
Resolution 1.80 Å R-free 0.266
7B5F Structure of echovirus 18 in complex with neonatal Fc receptor Deposited 2020-12-03 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: Hexameric
Chain H 21–119（99 aa）
Not recorded PLM PALMITIC ACID × 1 GUN GUANINE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.3；Mixed in 1:1 volume ratio {20 mM Tris (pH=7.2), 100 mM NaCl} and {8 mM Na2HPO4, 2 mM KH2PO4 (pH=7.4), 137 mM NaCl, 2.7 mM KCl}=PBS
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.90 Å R-free 0.311
7BBG CRYSTAL STRUCTURE OF HLA-A2-WT1-RMF AND FAB 11D06 Deposited 2020-12-17 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded NA SODIUM ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Tris pH 8.0, 20% PEG 4000
Resolution 2.64 Å R-free 0.230
7BH8 3H4-Fab HLA-E-VL9 co-complex Deposited 2021-01-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 10 PDB declaration: decameric
Chain B 21–119（99 aa）
Chain D 21–119（99 aa）
Not recorded GOL GLYCEROL × 10 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293.5 K；20% PEG 8000, 0.1 M NA HEPES
Resolution 1.80 Å R-free 0.232
7C9V E30 F-particle in complex with FcRn Deposited 2020-06-07 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 360 PDB declaration: 360-meric
Chain F 21–119（99 aa）
Not recorded MYR MYRISTIC ACID × 60 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.30 Å
7C9V E30 F-particle in complex with FcRn Deposited 2020-06-07 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain F 21–119（99 aa）
Not recorded MYR MYRISTIC ACID × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.30 Å
7C9V E30 F-particle in complex with FcRn Deposited 2020-06-07 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 30 PDB declaration: 30-meric
Chain F 21–119（99 aa）
Not recorded MYR MYRISTIC ACID × 5 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.30 Å
7C9V E30 F-particle in complex with FcRn Deposited 2020-06-07 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 36 PDB declaration: 36-meric
Chain F 21–119（99 aa）
Not recorded MYR MYRISTIC ACID × 6 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.30 Å
7C9V E30 F-particle in complex with FcRn Deposited 2020-06-07 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain F 21–119（99 aa）
Not recorded MYR MYRISTIC ACID × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.30 Å
7C9V E30 F-particle in complex with FcRn Deposited 2020-06-07 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 360 PDB declaration: 360-meric
Chain F 21–119（99 aa）
Not recorded MYR MYRISTIC ACID × 60 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.30 Å
7CIQ Phosphorylation modification of MHC I polypeptide Deposited 2020-07-08 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.2MSodiumchloride,0.1MBis-Tris(pH6.5),25%(w/v)PEG 3,350
Resolution 1.59 Å R-free 0.209
7CIR Peptide phosphorylation modification of MHC class I molecules Deposited 2020-07-08 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；0.1M TRIS-HCl (PH7.9) 17.5%(w/v)PEG8000
Resolution 1.81 Å R-free 0.208
7CIS Peptide modification of MHC class I molecules Deposited 2020-07-08 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；0.1 M TRIS-HCl (pH 7.1), 20.5% (w/v) PEG 8,000
Resolution 2.10 Å R-free 0.222
7DUU Crystal structure of HLA molecule with an KIR receptor Deposited 2021-01-11 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.2 M Lithium sulfate, 0.1 M Tris pH 8.5, 25% w/v PEG 3350
Resolution 2.51 Å R-free 0.246
7DYN Phosphorylation of MHC I peptide Deposited 2021-01-22 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；0.2 M Ammonium acetate, 0.1 M HEPES (pH 7.5), 25% (w/v) PEG 3,350
Resolution 2.00 Å R-free 0.208
7DZM Crystal Structure of the cross-restricted T18A TCR and HLAB8101 bound to HIV-1 Gag TL9 peptide Deposited 2021-01-25 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298.15 K；0.2 M Potassium chloride, 0.05 M HEPES pH 7.5, 35% v/v Pentaerythritol propoxylate (5/4 PO/OH)
Resolution 2.25 Å R-free 0.240
7DZN Crystal Structure of the cross-restricted T18A TCR and HLAB4201 bound to HIV-1 Gag TL9 peptide Deposited 2021-01-25 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298.15 K；0.1 M SPG pH 7.0, 25 % w/v PEG 1500
Resolution 2.63 Å R-free 0.261
7EDO First insight into marsupial MHC I peptide presentation: immune features of lower mammals paralleled with bats Deposited 2021-03-16 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；0.1 M Na citrate trisbasic dihydrate (pH 5.0) ,30%v/v Jeffamine ED-2001
Resolution 2.70 Å R-free 0.239
7EDO First insight into marsupial MHC I peptide presentation: immune features of lower mammals paralleled with bats Deposited 2021-03-16 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；0.1 M Na citrate trisbasic dihydrate (pH 5.0) ,30%v/v Jeffamine ED-2001
Resolution 2.70 Å R-free 0.239
7EJL Complex Structure of HLA-A*2402 with the Peptide from HCoV(CoV-2) spike protein Deposited 2021-04-02 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.2；293 K；Na/K phosphate
Resolution 1.89 Å R-free 0.255
7EJM Complex Structure of HLA-A*2402 with the Peptide from HCoV(CoV-229E) spike protein Deposited 2021-04-02 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Na citrate, PEG 3350
Resolution 1.71 Å R-free 0.221
7EJN Complex Structure of HLA-A*2402 with the Peptide from HCoV(CoV-HKU1) spike protein Deposited 2021-04-02 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；PEG 3350, Tris-HCl
Resolution 2.11 Å R-free 0.264
7EU2 Complex structure of HLA0201 with recognizing SARS-CoV-2 epitope S1 Deposited 2021-05-15 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；287 K；26% PEG 4000, 0.2 M Sodium acetate, and 0.1 M Tris-HCl pH9.0
Resolution 2.80 Å R-free 0.266
7EU2 Complex structure of HLA0201 with recognizing SARS-CoV-2 epitope S1 Deposited 2021-05-15 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；287 K；26% PEG 4000, 0.2 M Sodium acetate, and 0.1 M Tris-HCl pH9.0
Resolution 2.80 Å R-free 0.266
7F4W Complex structure of HLA2402 with recognizing SARS-CoV-2 epitope pep4 Deposited 2021-06-21 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.1；287 K；0.1 M HEPES pH8.1 22%(v/v) PEG8000
Resolution 2.90 Å R-free 0.298
7F4W Complex structure of HLA2402 with recognizing SARS-CoV-2 epitope pep4 Deposited 2021-06-21 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.1；287 K；0.1 M HEPES pH8.1 22%(v/v) PEG8000
Resolution 2.90 Å R-free 0.298
7JWI Crystal structure of B17.R2 TCR in complex with H2D-b-NP366 Deposited 2020-08-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；20% PEG3350, 0.2 M potassium/sodium tartrate, 0.1 M Bis-tris propane
Resolution 3.02 Å R-free 0.281
7JYU Crystal Structure of HLA-A*2402 in complex with IYFSPIRVTF, an 10-mer epitope from Influenza B virus Deposited 2020-09-01 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；20% PEG 8000, 0.2 MgCl2, 0.1 Tris-HCl pH 8.5
Resolution 2.75 Å R-free 0.259
7JYU Crystal Structure of HLA-A*2402 in complex with IYFSPIRVTF, an 10-mer epitope from Influenza B virus Deposited 2020-09-01 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；20% PEG 8000, 0.2 MgCl2, 0.1 Tris-HCl pH 8.5
Resolution 2.75 Å R-free 0.259
7JYV Crystal Structure of HLA A*2402 in complex with YFSPIRVTF, an 9-mer influenza epitope Deposited 2020-09-01 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；19% PEG 3350, 0.2 MgCl2
Resolution 1.51 Å R-free 0.206
7JYW Crystal Structure of HLA A*2402 in complex with TYQWIIRNW, an 9-mer influenza epitope Deposited 2020-09-01 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded CA CALCIUM ION × 1 NA SODIUM ION × 2 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；20% PEG3350, 0.2M Na acetate
Resolution 2.90 Å R-free 0.275
7JYX Crystal Structure of HLA A*2402 in complex with TYQWIIRNWET, an 11-mer epitope from Influenza Deposited 2020-09-01 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；24% PEG8000, 0.1 HEPES pH 7.5, 5% v/v Ethyl acetate
Resolution 2.95 Å R-free 0.275
7JYX Crystal Structure of HLA A*2402 in complex with TYQWIIRNWET, an 11-mer epitope from Influenza Deposited 2020-09-01 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；24% PEG8000, 0.1 HEPES pH 7.5, 5% v/v Ethyl acetate
Resolution 2.95 Å R-free 0.275
7K80 KIR3DL1*001 in complex with HLA-A*24:02 presenting the RYPLTFGW peptide Deposited 2020-09-24 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded FMT FORMIC ACID × 1 ACT ACETATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；14% PEG 3350, 2% tacsimate, pH 5.0, and 0.1 M trisodium citrate, pH 5.6
Resolution 2.40 Å R-free 0.249
7K80 KIR3DL1*001 in complex with HLA-A*24:02 presenting the RYPLTFGW peptide Deposited 2020-09-24 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain E 21–119（99 aa）
Not recorded ACT ACETATE ION × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；14% PEG 3350, 2% tacsimate, pH 5.0, and 0.1 M trisodium citrate, pH 5.6
Resolution 2.40 Å R-free 0.249
7K81 KIR3DL1*005 in complex with HLA-A*24:02 presenting the RYPLTFGW peptide Deposited 2020-09-24 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；14% PEG 3350, 2% tacsimate, pH 5.0, and 0.1 M trisodium citrate, pH 5.6
Resolution 2.00 Å R-free 0.243
7KGO Crystal Structure of HLA-A*0201in complex with SARS-CoV-2 N351-359 Deposited 2020-10-18 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded 3NI NICKEL (III) ION × 3 CL CHLORIDE ION × 3 CD CADMIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；20% PEG3350 w/v, 0.2 M NaFormate, 1 mM CdCl2
Resolution 2.15 Å R-free 0.229
7KGP Crystal Structure of HLA-A*0201 in complex with SARS-CoV-2 N316-324 Deposited 2020-10-18 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 1 CD CADMIUM ION × 2 NA SODIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；20% 3350, 0.2M NaFluoride, 1 mM CdCl2
Resolution 1.40 Å R-free 0.203
7KGQ Crystal Structure of HLA-A*0201in complex with SARS-CoV-2 N222-230 Deposited 2020-10-18 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded CD CADMIUM ION × 2 CA CALCIUM ION × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；20% PEG3350, 0.2M KFormate, 1mM CaCl2
Resolution 1.34 Å R-free 0.198
7KGR Crystal Structure of HLA-A*0201in complex with SARS-CoV-2 N159-167 Deposited 2020-10-18 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；20% PEG3350 w/v, 0.2 M NaFormate
Resolution 1.55 Å R-free 0.221
7KGS Crystal Structure of HLA-A*0201 in complex with SARS-CoV-2 N138-146 Deposited 2020-10-18 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded CD CADMIUM ION × 2 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；20% PEG3350 w/v, 0.2 M NaFormate, 1 mM CdCl2
Resolution 1.58 Å R-free 0.197
7KGT Crystal Structure of HLA-A*0201 in complex with SARS-CoV-2 N226-234 Deposited 2020-10-18 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded CD CADMIUM ION × 2 NA SODIUM ION × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；20% PEG3350 w/v, 0.2M KFormate, 1mM CdCl2
Resolution 1.90 Å R-free 0.205
7KOZ CD1a-36:2 SM binary complex Deposited 2020-11-10 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 20–119（100 aa）
Not recorded WU7 (4S,7S,17Z)-4-hydroxy-7-[(1S,2E)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphahexacos-17-en-1-aminium × 1 EDO 1,2-ETHANEDIOL × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；20-25% PEG 1500, 0.1M MMT pH 5.5
Resolution 2.25 Å R-free 0.246
7KP0 CD1a-42:1 SM binary complex Deposited 2020-11-10 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 20–119（100 aa）
Not recorded WUA (4R,7S)-4-hydroxy-7-[(1S,2E)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphadotriacontan-1-aminium × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；20-25% PEG 1500, 0.1M MMT pH 5.5
Resolution 2.40 Å R-free 0.264
7KP1 CD1a-42:2 SM binary complex Deposited 2020-11-10 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 20–119（100 aa）
Not recorded FO4 sphingomyelin × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；20-25% PEG 1500, 0.1M MMT pH 5.5
Resolution 2.02 Å R-free 0.226
7L1B Crystal structure of HLA-A*03:01 in complex with a wild-type PIK3CA peptide Deposited 2020-12-14 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；10.00 % w/v Polyethylene glycol 8,000, 200 mM Calcium acetate, 100 mM HEPES; pH 7.5
Resolution 2.04 Å R-free 0.221
7L1C Crystal structure of HLA-A*03:01 in complex with a mutant PIK3CA peptide Deposited 2020-12-14 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 5 FMT FORMIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；277.15 K；20% w/v Polyethylene glycol 3,350, 200 mM Ammonium formate, pH 6.6
Resolution 1.96 Å R-free 0.205
7L1D Crystal structure of human 21LT2-2 TCR bound to HLA-A*03:01 in complex with a mutant PIK3CA peptide Deposited 2020-12-14 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；10% w/v Polyethylene glycol 8,000, 200mM Magnesium acetate
Resolution 3.11 Å R-free 0.250
7LFZ Human leukocyte antigen B*07:02 in complex with SARS-CoV2 epitope IPRRNVATL Deposited 2021-01-19 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；290 K；0.1 M sodium citrate, pH 8.0, 20% PEG4000, 20% isopropanol
Resolution 1.90 Å R-free 0.224
7LG0 Human leukocyte antigen B*07:02 in complex with SARS-CoV2 epitope SPRWYFYYL Deposited 2021-01-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP RESIDUES 21-119
Not recorded P6G HEXAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；290 K；0.1 M HEPES-NaOH, pH 7.5, 2 M ammonium sulfate
Resolution 2.30 Å R-free 0.268
7LG2 Human leukocyte antigen A*0201 in complex with SARS-CoV2 epitope ALWEIQQVV Deposited 2021-01-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 3 PGE TRIETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；290 K；25% PEG3350, 0.1 M Bis-Tris, pH 5.5, 0.2 M magnesium chloride
Resolution 2.40 Å R-free 0.254
7LG3 Human leukocyte antigen A*0201 in complex with SARS-CoV2 epitope KLWAQCVQL Deposited 2021-01-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；290 K；20% PEG4000, 0.1 M sodium acetate, pH 5.6, 20% isopropanol
Resolution 2.30 Å R-free 0.248
7LGD HLA-B*07:02 in complex with SARS-CoV-2 nucleocapsid peptide N105-113 Deposited 2021-01-20 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2M Ammonium Sulfate, 0.1M HEPES pH 7.5
Resolution 2.88 Å R-free 0.269
7LGD HLA-B*07:02 in complex with SARS-CoV-2 nucleocapsid peptide N105-113 Deposited 2021-01-20 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded CL CHLORIDE ION × 2 SO4 SULFATE ION × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2M Ammonium Sulfate, 0.1M HEPES pH 7.5
Resolution 2.88 Å R-free 0.269
7LGT HLA-B*07:02 in complex with 229E-derived coronavirus nucleocapsid peptide N75-83 Deposited 2021-01-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ZN ZINC ION × 7 NA SODIUM ION × 1 CL CHLORIDE ION × 8 K POTASSIUM ION × 8 BR BROMIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；18% PEG 3350, 0.2 M KI
Resolution 1.97 Å R-free 0.246
7LGT HLA-B*07:02 in complex with 229E-derived coronavirus nucleocapsid peptide N75-83 Deposited 2021-01-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded ZN ZINC ION × 4 NA SODIUM ION × 3 CL CHLORIDE ION × 1 K POTASSIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；18% PEG 3350, 0.2 M KI
Resolution 1.97 Å R-free 0.246
7LLI Stimulatory immune receptor protein complex Deposited 2021-02-04 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；30-40% PEG 400, 0.1/0.2 HEPES pH 7.5, 0.2M MgCl2
Resolution 3.20 Å R-free 0.263
7LLI Stimulatory immune receptor protein complex Deposited 2021-02-04 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；30-40% PEG 400, 0.1/0.2 HEPES pH 7.5, 0.2M MgCl2
Resolution 3.20 Å R-free 0.263
7LLJ Inhibitory immune receptor protein complex Deposited 2021-02-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded 30W N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；30-40% PEG 400, 0.1/0.2 HEPES pH 7.5, 0.2M MgCl2
Resolution 3.15 Å R-free 0.276
7LLJ Inhibitory immune receptor protein complex Deposited 2021-02-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded 30W N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；30-40% PEG 400, 0.1/0.2 HEPES pH 7.5, 0.2M MgCl2
Resolution 3.15 Å R-free 0.276
7M8S Crystal Structure of HLA-A*02:01 in complex with KLNDLCFTNV, an 10-mer epitope from SARS-CoV-2 Spike (S386-395) Deposited 2021-03-30 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；0.2 Ammonium tantrate, 0.001 Cadmium chloride, 14% PEG 3350
Resolution 2.35 Å R-free 0.247
7M8S Crystal Structure of HLA-A*02:01 in complex with KLNDLCFTNV, an 10-mer epitope from SARS-CoV-2 Spike (S386-395) Deposited 2021-03-30 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；0.2 Ammonium tantrate, 0.001 Cadmium chloride, 14% PEG 3350
Resolution 2.35 Å R-free 0.247
7M8T Crystal Structure of HLA-A*11:01 in complex with NSASFSTFK, an 9-mer epitope from SARS-CoV-2 spike (S370-378) Deposited 2021-03-30 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 SO4 SULFATE ION × 2 NA SODIUM ION × 2 CL CHLORIDE ION × 2 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；2M Ammonium Sulfate, 0.1M Calcium cacodylate pH 6.5, 0.2M sodium chloride
Resolution 1.50 Å R-free 0.219
7M8U Crystal Structure of HLA-B*35:01 in complex with IPFAMQMAY, an 9-mer epitope from SARS-CoV-2 spike (S896-904) Deposited 2021-03-30 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded PO4 PHOSPHATE ION × 2 NA SODIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.2 sodium fluoride, 18% PEG 3350
Resolution 1.45 Å R-free 0.229
7MJ6 HLA-A*02:01 bound to Neuroblastoma Derived IGFBPL1 peptide Deposited 2021-04-19 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；1M Sodium Citrate Dibasic, 0.1M Sodium Cacodylate pH 6.5
Resolution 1.95 Å R-free 0.196
7MJ7 HLA-A*02:01 bound to Neuroblastoma Derived IGFBPL1 peptide Deposited 2021-04-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；1M Sodium Citrate Dibasic, 0.1M Sodium Cacodylate pH 6.5
Resolution 1.60 Å R-free 0.192
7MJ8 HLA-A*02:01 bound to Neuroblastoma Derived IGFBPL1 peptide Deposited 2021-04-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；1M Sodium Citrate Dibasic, 0.1M Sodium Cacodylate pH 6.5
Resolution 1.79 Å R-free 0.190
7MJ9 HLA-A*02:01 bound to Neuroblastoma Derived mutant IGFBPL1 peptide Deposited 2021-04-19 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.2 M Magnesium Chloride, 0.1 M HEPES pH 7, 20 % PEG 6000
Resolution 1.75 Å R-free 0.194
7MJA HLA-A*24:02 bound to Neuroblastoma derived PHOX2B peptide Deposited 2021-04-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.1 M HEPES pH 7.0, 10% PEG 6000
Resolution 1.69 Å R-free 0.199
7MKB Human leukocyte antigen A*0201 in complex with SARS-CoV-2 epitope YLQPRTFLL Deposited 2021-04-22 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；290 K；17% PEG10000, 0.1 M Bis-Tris, pH 5.5, 0.1 M ammonium acetate
Resolution 1.90 Å R-free 0.209
7MLE Crystal Structure of HLA-A*03:01 in complex with VVRPSVASK, an 9-mer epitope from Influenza B virus Deposited 2021-04-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；1M trisodium citrate, 0.1M sodium cacodylate pH 6.5
Resolution 2.20 Å R-free 0.264
7MX4 CD1c with antigen analogue 1 Deposited 2021-05-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 20–119（100 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZPD (4S,8R,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl (1R,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl hydrogen (R)-phosphate × 1 D12 DODECANE × 1 ZP7 (2S)-2,3-dihydroxypropyl hexadecanoate × 1 NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 1 MLA MALONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.4；293 K；100 mM CHES, 1.05 M sodium citrate, 25 mM triglycine
Resolution 1.73 Å R-free 0.239
7MXF CD1c with antigen analogue 2 Deposited 2021-05-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 20–119（100 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 1 ZQ4 2,6-anhydro-1-deoxy-1-[(S)-hydroxy{[(4R,8S,12R,16R,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol × 1 D12 DODECANE × 1 ZP7 (2S)-2,3-dihydroxypropyl hexadecanoate × 1 MLA MALONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.4；293 K；100 mM CHES, 1.05 M sodium citrate, 25 mM triglycine
Resolution 2.00 Å R-free 0.242
7MXH CD1c with antigen analogue 3 Deposited 2021-05-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 20–119（100 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZQ7 2,6-anhydro-1-deoxy-1,1-difluoro-1-[(R)-hydroxy{[(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol × 1 D12 DODECANE × 1 ZP7 (2S)-2,3-dihydroxypropyl hexadecanoate × 1 MLA MALONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.4；293 K；100 mM CHES, 1.05 M sodium citrate, 25 mM triglycine
Resolution 2.11 Å R-free 0.255
7N1A SARS-CoV-2 YLQ peptide binds to HLA-A2 Deposited 2021-05-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；0.2M Potassium thiocyanate (pH 7.0), 22% (w/v) PEG 3350
Resolution 2.06 Å R-free 0.241
7N1A SARS-CoV-2 YLQ peptide binds to HLA-A2 Deposited 2021-05-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；0.2M Potassium thiocyanate (pH 7.0), 22% (w/v) PEG 3350
Resolution 2.06 Å R-free 0.241
7N1B SARS-CoV-2 RLQ peptide binds to HLA-A2 Deposited 2021-05-27 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.2M Ammonium sulfate, 0.1M MES (pH 6.5), 20% (w/v) PEG 8000 by micro-seeding
Resolution 2.81 Å R-free 0.269
7N1B SARS-CoV-2 RLQ peptide binds to HLA-A2 Deposited 2021-05-27 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.2M Ammonium sulfate, 0.1M MES (pH 6.5), 20% (w/v) PEG 8000 by micro-seeding
Resolution 2.81 Å R-free 0.269
7N1E SARS-CoV-2 RLQ peptide-specific TCR pRLQ3 binds to RLQ-HLA-A2 Deposited 2021-05-27 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；295 K；0.2M Ammonium sulfate, 0.1M MES (pH 6.0), 12% (w/v) PEG 4000
Resolution 2.30 Å R-free 0.258
7N1F SARS-CoV-2 YLQ peptide-specific TCR pYLQ7 binds to YLQ-HLA-A2 Deposited 2021-05-27 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；295 K；in 0.1M Ammonium sulfate, 0.3M Sodium formate, 0.1M Sodium acetate (pH 5.0), 3% (w/v) Gama-PGA (Na+ form, LM), 3% (w/v) PEG 20000
Resolution 2.39 Å R-free 0.236
7N2N TCR-antigen complex AS4.2-PRPF3-HLA*B27 Deposited 2021-05-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG3350 with 0.2M Potassium phosphate monobasic
Resolution 2.60 Å R-free 0.291
7N2O AS4.2-YEIH-HLA*B27 Deposited 2021-05-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG3350 with 0.2M Ammonium acetate
Resolution 2.30 Å R-free 0.267
7N2P AS4.3-RNASEH2b-HLA*B27 Deposited 2021-05-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG3350 with 0.2M Magnesium formate dihydrate
Resolution 2.50 Å R-free 0.288
7N2Q AS4.3-YEIH-HLA*B27 Deposited 2021-05-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；25% PEG3350 with 0.2M Ammonium sulfate and 0.1M BIS-TRIS pH 6.5
Resolution 2.70 Å R-free 0.264
7N2Q AS4.3-YEIH-HLA*B27 Deposited 2021-05-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain I 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 SO4 SULFATE ION × 3 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；25% PEG3350 with 0.2M Ammonium sulfate and 0.1M BIS-TRIS pH 6.5
Resolution 2.70 Å R-free 0.264
7N2R AS4.3-PRPF3-HLA*B27 Deposited 2021-05-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 ASP ASPARTIC ACID × 1 SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；25% PEG3350 with 0.2M Ammonium sulfate and 0.1M BIS-TRIS pH 6.5
Resolution 2.28 Å R-free 0.288
7N2S AS3.1-PRPF3-HLA*B27 Deposited 2021-05-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；25% PEG3350 with 0.2M Ammonium tartrate dibasic dihydrate
Resolution 2.37 Å R-free 0.311
7N4K 6218 TCR in complex with H2-Db PA 224 Deposited 2021-06-04 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded NA SODIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；20% PEG3350, 0.2 M NaF, 0.05 M NaForm, 1% 1,5-Diaminopentane dihydrochloride
Resolution 1.85 Å R-free 0.214
7N5C 6218 TCR in complex with H2Db PA with an engineered TCR-pMHC disulfide bond Deposited 2021-06-05 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；20% PEG3350, 0.2M NaF, 0.05M NaForm, 1% 1,5-Diaminopentane dihydrochloride
Resolution 1.87 Å R-free 0.233
7N5P 6218 TCR in complex with H2-Db PA224-233 with a cysteine mutant Deposited 2021-06-06 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded NA SODIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；20% PEG3350, 0.2M NaF, 0.05M NaForm, 1% 1,5-Diaminopentane dihydrochloride
Resolution 2.09 Å R-free 0.236
7N5Q Peptide-MHC complex of mouse H2-Db presenting PA224 with E4C mutation Deposited 2021-06-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded NA SODIUM ION × 8 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；20% PEG2000, 0.1M KSCN, 2% MPD
Resolution 1.76 Å R-free 0.218
7N5Q Peptide-MHC complex of mouse H2-Db presenting PA224 with E4C mutation Deposited 2021-06-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain G 21–119（99 aa）
Not recorded NA SODIUM ION × 3 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；20% PEG2000, 0.1M KSCN, 2% MPD
Resolution 1.76 Å R-free 0.218
7N6D HLA peptide complex Deposited 2021-06-08 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；20% PEG3350, 0.2 M sodium thiocyanate
Resolution 2.30 Å R-free 0.247
7N6D HLA peptide complex Deposited 2021-06-08 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；20% PEG3350, 0.2 M sodium thiocyanate
Resolution 2.30 Å R-free 0.247
7N6D HLA peptide complex Deposited 2021-06-08 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain J 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；20% PEG3350, 0.2 M sodium thiocyanate
Resolution 2.30 Å R-free 0.247
7N6D HLA peptide complex Deposited 2021-06-08 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain N 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；20% PEG3350, 0.2 M sodium thiocyanate
Resolution 2.30 Å R-free 0.247
7N6E TCR peptide HLA-A2 complex Deposited 2021-06-08 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293.15 K；20% PEG3350, 0.2 M sodium thiocyanate, 100 mM Tris-Cl
Resolution 3.20 Å R-free 0.294
7N6E TCR peptide HLA-A2 complex Deposited 2021-06-08 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293.15 K；20% PEG3350, 0.2 M sodium thiocyanate, 100 mM Tris-Cl
Resolution 3.20 Å R-free 0.294
7N9J Crystal structure of H2DB in complex with HSF2 melanoma neoantigen Deposited 2021-06-18 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；25% PEG3350, 0.1 M Tris-HCl, pH 8.5, 0.2 M sodium acetate, 30% PEG4000
Resolution 1.74 Å R-free 0.213
7NA5 Structure of the H2DB-TCR ternary complex with HSF2 melanoma neoantigen Deposited 2021-06-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 13 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；290 K；25% PEG3350, 0.1 M Bis-Tris, pH 5.5, 0.2 M lithium sulfate, 15% glycerol
Resolution 2.50 Å R-free 0.249
7NDQ Gag:02 TCR in complex with HLA-E. Deposited 2021-02-02 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain BBB 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；23.2% (w/v) PEG 1500, 93 mM MMT pH 9.0
Resolution 2.55 Å R-free 0.296
7NDT UL40:01 TCR in complex with HLA-E with a non-natural amino acid Deposited 2021-02-02 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 10 PDB declaration: decameric
Chain BBB 21–119（99 aa）
Chain GGG 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；12% (w/v) PEG 8000, 55 mM MOPS pH 6.5
Resolution 3.00 Å R-free 0.269
7NDU Gag:02 TCR in complex with HLA-E featuring a non-natural amino acid Deposited 2021-02-02 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain BBB 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；22.3% (w/v) PEG 1500, 89 mM MMT pH 9.0
Resolution 2.90 Å R-free 0.301
7NMC Crystal structure of beta-2-microglobulin D76E mutant Deposited 2021-02-23 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；100 nL mother liquor / 200 nL protein 15% Glycerol, 0.1 M NaAcetate pH 4.5-5.5, 28-32%PEG 4000, 0.2 M NH4Acetate
Resolution 1.20 Å R-free 0.179
7NMD Human Major Histocompatibility Complex A24 Allele presenting QLPRLFPLL Deposited 2021-02-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 4 PEG DI(HYDROXYETHYL)ETHER × 4 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；20% PEG 4000, 0.1 M TRIS (pH 7.5), 15% glycerol.
Resolution 2.25 Å R-free 0.265
7NMD Human Major Histocompatibility Complex A24 Allele presenting QLPRLFPLL Deposited 2021-02-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 4 PEG DI(HYDROXYETHYL)ETHER × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；20% PEG 4000, 0.1 M TRIS (pH 7.5), 15% glycerol.
Resolution 2.25 Å R-free 0.265
7NME Human MHC Class I, A24 Allele presenting QLPRLFPLL, Complex with 4C6 TCR Deposited 2021-02-23 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；291 K；Molecular Dimensions Pact Premier C06: 0.1M PCTCP buffer, 25% PEG 1500, pH 9.0
Resolution 2.20 Å R-free 0.274
7NMF Human MHC Class I, A24 Allele presenting QLPRLFPLL, Complex with 4C6 TCR, monoclinic form Deposited 2021-02-23 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 EDO 1,2-ETHANEDIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；0.1M Sodium Bromide, 0.1 M bis-tris Propane, pH 7.5, 20% PEG 3350
Resolution 2.98 Å R-free 0.259
7NMG Human MHC Class I, A24 Allele presenting LWM, Complex with 4C6 TCR Deposited 2021-02-23 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 3 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；25% PEG 1500, 0.1M PCTP Buffer, pH 9.0
Resolution 2.48 Å R-free 0.271
7NMO Crystal structure of beta-2-microglobulin D76A mutant Deposited 2021-02-23 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；100 nL mother liquor / 200 nL protein 15% Glycerol, 0.1 M NaAcetate pH 4.5-5.5, 28-32%PEG 4000, 0.2 M NH4Acetate
Resolution 1.20 Å R-free 0.159
7NMR Crystal structure of beta-2-microglobulin D76S mutant Deposited 2021-02-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 21–117（97 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；100 nL mother liquor / 200 nL protein 15% Glycerol, 0.1 M NaAcetate pH 4.5-5.5, 28-32%PEG 4000, 0.2 M NH4Acetate
Resolution 1.15 Å R-free 0.182
7NMT Crystal structure of beta-2-microglobulin D76G mutant Deposited 2021-02-23 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；100 nL mother liquor / 200 nL protein 15% Glycerol, 0.1 M NaAcetate pH 4.5-5.5, 28-32%PEG 4000, 0.2 M NH4Acetate
Resolution 1.20 Å R-free 0.174
7NMV Crystal structure of beta-2-microglobulin D76Q mutant Deposited 2021-02-23 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；100 nL mother liquor / 200 nL protein 15% Glycerol, 0.1 M NaAcetate pH 4.5-5.5, 28-32%PEG 4000, 0.2 M NH4Acetate
Resolution 1.51 Å R-free 0.266
7NMY Crystal structure of beta-2-microglobulin D76Y mutant Deposited 2021-02-23 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 21–119（99 aa）
Mutation：D76Y No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；100 nL mother liquor / 200 nL protein 15% Glycerol, 0.1 M NaAcetate pH 4.5-5.5, 28-32%PEG 4000, 0.2 M NH4Acetate
Resolution 1.25 Å R-free 0.227
7NN5 Crystal structure of beta-2-microglobulin D76K mutant Deposited 2021-02-24 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 21–118（98 aa）
Mutation：D76K No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；100 nL mother liquor / 200 nL protein 15% Glycerol, 0.1 M NaAcetate pH 4.5-5.5, 28-32%PEG 4000, 0.2 M NH4Acetate
Resolution 1.24 Å R-free 0.230
7NUI Crystal structure of HLA-B*08:01 in complex with ELRSRYWAI viral peptide Deposited 2021-03-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 4 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；289.15 K；0.2 M sodium iodide, 0.1 M Bis-Tris propane, 20 % w/v PEG 3350
Resolution 2.00 Å R-free 0.282
7OW3 Crystal structure of HLA-A*11:01 in complex with KRAS peptide (VVVGAGGVGK) Deposited 2021-06-16 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Ammonium sulfate, 0.1 M Sodium cacodylate pH 6, 25% PEG 4000
Resolution 2.46 Å R-free 0.260
7OW3 Crystal structure of HLA-A*11:01 in complex with KRAS peptide (VVVGAGGVGK) Deposited 2021-06-16 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Ammonium sulfate, 0.1 M Sodium cacodylate pH 6, 25% PEG 4000
Resolution 2.46 Å R-free 0.260
7OW3 Crystal structure of HLA-A*11:01 in complex with KRAS peptide (VVVGAGGVGK) Deposited 2021-06-16 Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Ammonium sulfate, 0.1 M Sodium cacodylate pH 6, 25% PEG 4000
Resolution 2.46 Å R-free 0.260
7OW3 Crystal structure of HLA-A*11:01 in complex with KRAS peptide (VVVGAGGVGK) Deposited 2021-06-16 Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain K 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Ammonium sulfate, 0.1 M Sodium cacodylate pH 6, 25% PEG 4000
Resolution 2.46 Å R-free 0.260
7OW4 Crystal structure of HLA-A*11:01 in complex with KRAS G12D peptide (VVVGADGVGK) Deposited 2021-06-16 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Lithium sulfate, 0.1 M Bis-Tris pH 5.5, 25% w/v PEG 3500
Resolution 1.81 Å R-free 0.249
7OW4 Crystal structure of HLA-A*11:01 in complex with KRAS G12D peptide (VVVGADGVGK) Deposited 2021-06-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Lithium sulfate, 0.1 M Bis-Tris pH 5.5, 25% w/v PEG 3500
Resolution 1.81 Å R-free 0.249
7OW4 Crystal structure of HLA-A*11:01 in complex with KRAS G12D peptide (VVVGADGVGK) Deposited 2021-06-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa）
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Lithium sulfate, 0.1 M Bis-Tris pH 5.5, 25% w/v PEG 3500
Resolution 1.81 Å R-free 0.249
7OW4 Crystal structure of HLA-A*11:01 in complex with KRAS G12D peptide (VVVGADGVGK) Deposited 2021-06-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain K 21–119（99 aa）
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Lithium sulfate, 0.1 M Bis-Tris pH 5.5, 25% w/v PEG 3500
Resolution 1.81 Å R-free 0.249
7OW5 Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVVGAGGVGK) Deposited 2021-06-16 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Ammonium citrate tribasic pH 7.0, 20% w/v PEG 3350
Resolution 2.58 Å R-free 0.274
7OW6 Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS G12D peptide (VVVGADGVGK) Deposited 2021-06-16 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Ammonium sulfate, 20% w/v PEG 3350
Resolution 2.64 Å R-free 0.268
7P3D MHC I A02 Allele presenting YLQPRTFLL Deposited 2021-07-07 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 6 ACT ACETATE ION × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M sodium nitrate, 0.1 M Bis Tris propane pH 7.5, and 20 % w/v PEG 3350
Resolution 1.67 Å R-free 0.231
7P3E MHC I A02 Allele presenting YLQLRTFLL Deposited 2021-07-07 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded IOD IODIDE ION × 12 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.2 M sodium iodide, 0.1 M Bis Tris propane pH 7.5, and 20 % w/v PEG 3350
Resolution 2.00 Å R-free 0.248
7P3E MHC I A02 Allele presenting YLQLRTFLL Deposited 2021-07-07 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded IOD IODIDE ION × 12 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.2 M sodium iodide, 0.1 M Bis Tris propane pH 7.5, and 20 % w/v PEG 3350
Resolution 2.00 Å R-free 0.248
7P49 HLA-E*01:03 in complex with Mtb14 Deposited 2021-07-10 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 SO4 SULFATE ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；3 M AS, 0.1 M MES pH 6
Resolution 2.05 Å R-free 0.279
7P49 HLA-E*01:03 in complex with Mtb14 Deposited 2021-07-10 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded GOL GLYCEROL × 5 SO4 SULFATE ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；3 M AS, 0.1 M MES pH 6
Resolution 2.05 Å R-free 0.279
7P49 HLA-E*01:03 in complex with Mtb14 Deposited 2021-07-10 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 SO4 SULFATE ION × 6 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；3 M AS, 0.1 M MES pH 6
Resolution 2.05 Å R-free 0.279
7P49 HLA-E*01:03 in complex with Mtb14 Deposited 2021-07-10 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 SO4 SULFATE ION × 6 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；3 M AS, 0.1 M MES pH 6
Resolution 2.05 Å R-free 0.279
7P4B HLA-E*01:03 in complex with IL9 Deposited 2021-07-10 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.5 K；2.2 M AS 0.1 M MES pH 5.8
Resolution 1.72 Å R-free 0.237
7P4B HLA-E*01:03 in complex with IL9 Deposited 2021-07-10 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded GOL GLYCEROL × 7 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.5 K；2.2 M AS 0.1 M MES pH 5.8
Resolution 1.72 Å R-free 0.237
7P4B HLA-E*01:03 in complex with IL9 Deposited 2021-07-10 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 21–119（99 aa）
Not recorded SO4 SULFATE ION × 2 ZN ZINC ION × 1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.5 K；2.2 M AS 0.1 M MES pH 5.8
Resolution 1.72 Å R-free 0.237
7P4B HLA-E*01:03 in complex with IL9 Deposited 2021-07-10 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 SO4 SULFATE ION × 7 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.5 K；2.2 M AS 0.1 M MES pH 5.8
Resolution 1.72 Å R-free 0.237
7PB2 Crystal structure of JDI TCR in complex with HLA-A*11:01 bound to KRAS G12D peptide (VVVGADGVGK) Deposited 2021-07-30 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M ammonium sulfate, 0.1 M Tris pH 8.5, 20 % PEG 8000
Resolution 3.41 Å R-free 0.254
7PB2 Crystal structure of JDI TCR in complex with HLA-A*11:01 bound to KRAS G12D peptide (VVVGADGVGK) Deposited 2021-07-30 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M ammonium sulfate, 0.1 M Tris pH 8.5, 20 % PEG 8000
Resolution 3.41 Å R-free 0.254
7PBC Crystal structure of engineered TCR (796) complexed to HLA-A*02:01 presenting MAGE-A10 9-mer peptide Deposited 2021-08-02 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain DDD 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.2M Sodium bromide, 0.1M Bis-Tris propane pH 8.5, 20% w/v PEG 3350
Resolution 2.04 Å R-free 0.236
7PBE Emergence of immune escape at dominant SARS-CoV-2 killer T-cell epitope Deposited 2021-08-02 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；0.2 M ammonium sulphate, 0.1 M Tris, pH 8.5, and 25 % w/v PEG 4000
Resolution 3.00 Å R-free 0.296
7PBE Emergence of immune escape at dominant SARS-CoV-2 killer T-cell epitope Deposited 2021-08-02 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；0.2 M ammonium sulphate, 0.1 M Tris, pH 8.5, and 25 % w/v PEG 4000
Resolution 3.00 Å R-free 0.296
7PDW Crystal structure of parent TCR (728) complexed to HLA-A*02:01 presenting MAGE-A10 9-mer peptide Deposited 2021-08-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain DDD 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.02M Sodium/potassium phosphate, 0.1M Bis-Tris propane pH 6.5, 20% w/v PEG 3350
Resolution 1.82 Å R-free 0.229
7PDW Crystal structure of parent TCR (728) complexed to HLA-A*02:01 presenting MAGE-A10 9-mer peptide Deposited 2021-08-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain III 21–119（99 aa）
Not recorded PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.02M Sodium/potassium phosphate, 0.1M Bis-Tris propane pH 6.5, 20% w/v PEG 3350
Resolution 1.82 Å R-free 0.229
7PHR Structure of a fully assembled T-cell receptor engaging a tumor-associated peptide-MHC I Deposited 2021-08-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 11 PDB declaration: undecameric
Chain L 20–119（100 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.08 Å
7Q15 Crystal structure of FcRn and beta-2-microglobulin in complex with IgG1-Fc-MST-HN (efgartigimod) Deposited 2021-10-18 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: hexameric
Chain B 1–119（119 aa）
Chain D 1–119（119 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；294 K；0.1 M Sodium Cacodylate pH 7
Resolution 3.30 Å R-free 0.231
7Q98 MHC Class I A02 Allele presenting NLSALGIFST Deposited 2021-11-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 3 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；25% PEG 8000, 0.2 M Ammonium Sulphate, Sodium Cacodylate buffer 0.1 M, pH 6.5
Resolution 2.50 Å R-free 0.274
7Q98 MHC Class I A02 Allele presenting NLSALGIFST Deposited 2021-11-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 4 SO4 SULFATE ION × 9 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；25% PEG 8000, 0.2 M Ammonium Sulphate, Sodium Cacodylate buffer 0.1 M, pH 6.5
Resolution 2.50 Å R-free 0.274
7Q98 MHC Class I A02 Allele presenting NLSALGIFST Deposited 2021-11-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 4 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；25% PEG 8000, 0.2 M Ammonium Sulphate, Sodium Cacodylate buffer 0.1 M, pH 6.5
Resolution 2.50 Å R-free 0.274
7Q98 MHC Class I A02 Allele presenting NLSALGIFST Deposited 2021-11-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain K 21–119（99 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；25% PEG 8000, 0.2 M Ammonium Sulphate, Sodium Cacodylate buffer 0.1 M, pH 6.5
Resolution 2.50 Å R-free 0.274
7Q98 MHC Class I A02 Allele presenting NLSALGIFST Deposited 2021-11-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain N 21–119（99 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；25% PEG 8000, 0.2 M Ammonium Sulphate, Sodium Cacodylate buffer 0.1 M, pH 6.5
Resolution 2.50 Å R-free 0.274
7Q99 MHC Class I A02 Allele presenting NLSALGIFST, in complex with Mel5 TCR Deposited 2021-11-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M HEPES, 25% PEG 4000, 15% Glycerol, pH 7.5
Resolution 2.55 Å R-free 0.272
7Q9A MHC Class I A02 Allele presenting LLLGIGILVL, in complex with Mel5 TCR Deposited 2021-11-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M TRIS, 15% PEG 8000, 15% Glycerol, pH 7.5
Resolution 2.10 Å R-free 0.243
7Q9B MHC Class I A02 Allele presenting EAAGIGILTV, in complex with Mel8 TCR Deposited 2021-11-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 10 PDB declaration: decameric
Chain BBB 21–119（99 aa）
Chain GGG 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K
Resolution 3.24 Å R-free 0.277
7QNG Structure of a MHC I-Tapasin-ERp57 complex Deposited 2021-12-20 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；100 mM Gly-Gly, AMPD, pH 8.5, 300 mM lithium sulfate, 300 mM sodium sulfate, 300 mM potassium sulfate, 20% (v/v) PEG8000, 40% (v/v) 1,5-pentanediol
Resolution 2.70 Å R-free 0.229
7QPD Structure of the human MHC I peptide-loading complex editing module Deposited 2022-01-03 Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.73 Å
7QPJ Crystal structure of engineered TCR (756) complexed to HLA-A*02:01 presenting MAGE-A10 9-mer peptide Deposited 2022-01-04 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain D 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293.15 K；0.2M Sodium chloride, 0.1M MES pH 6.0, 20% w/v PEG 6000
Resolution 1.54 Å R-free 0.236
7R7V Crystal structure of HLA-B*5301 complex with an HIV-1 Gag-derived epitope QW9 Deposited 2021-06-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；290 K；30% w/v PEG8000, 0.1 M sodium cacodylate trihydrate, pH 6.5
Resolution 1.60 Å R-free 0.199
7R7W Crystal structure of HLA-B*5301 complex with an HIV-1 Gag-derived epitope QW9 S3T variant Deposited 2021-06-25 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；290 K；30% w/v PEG8000, 0.2 M sodium acetate, 0.1 M sodium cacodylate trihydrate, pH 6.5
Resolution 1.17 Å R-free 0.158
7R7X Crystal structure of HLA-B*5701 complex with an HIV-1 Gag-derived epitope QW9 Deposited 2021-06-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 IPA ISOPROPYL ALCOHOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；290 K；15-20% w/v PEG4000, 20% w/v 2-propanol, 0.1 M MES, pH 6.5
Resolution 2.10 Å R-free 0.219
7R7X Crystal structure of HLA-B*5701 complex with an HIV-1 Gag-derived epitope QW9 Deposited 2021-06-25 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；290 K；15-20% w/v PEG4000, 20% w/v 2-propanol, 0.1 M MES, pH 6.5
Resolution 2.10 Å R-free 0.219
7R7Y Crystal structure of HLA-B*5701 complex with an HIV-1 Gag-derived epitope QW9 S3T variant Deposited 2021-06-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 22–119（98 aa） Fragment：UNP residues 22-119
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；290 K；30% w/v PEG8000, 0.2 M ammonium sulfate, 0.1 M sodium cacodylate trihydrate, pH 6.5
Resolution 1.60 Å R-free 0.189
7R80 Crystal structure of C3 TCR complex with QW9-bound HLA-B*5301 Deposited 2021-06-25 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；290 K；0.1 M Tris, pH 8.5, 21-23% PEG3350
Resolution 2.90 Å R-free 0.287
7RE7 TCR mimic antibody (Fab fragment) in complex with AFP/HLA-A*02 Deposited 2021-07-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 GOL GLYCEROL × 4 PG4 TETRAETHYLENE GLYCOL × 2 PGE TRIETHYLENE GLYCOL × 1 1PE PENTAETHYLENE GLYCOL × 1 FMT FORMIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；296.15 K；18% v/v PEG 3350 and 0.2 M sodium formate solution, pH 7.2
Resolution 2.55 Å R-free 0.220
7RE7 TCR mimic antibody (Fab fragment) in complex with AFP/HLA-A*02 Deposited 2021-07-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 GOL GLYCEROL × 3 PG4 TETRAETHYLENE GLYCOL × 2 P6G HEXAETHYLENE GLYCOL × 1 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；296.15 K；18% v/v PEG 3350 and 0.2 M sodium formate solution, pH 7.2
Resolution 2.55 Å R-free 0.220
7RE8 Class I MHC (HLA-A*02) presenting alpha fetoprotein peptide (AFP) Deposited 2021-07-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded PGE TRIETHYLENE GLYCOL × 3 PEG DI(HYDROXYETHYL)ETHER × 5 1PE PENTAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277.15 K；25 mM MES pH6.5, 150 mM NaCl, 25% v/v PEG 3350
Resolution 2.82 Å R-free 0.239
7RE8 Class I MHC (HLA-A*02) presenting alpha fetoprotein peptide (AFP) Deposited 2021-07-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded PGE TRIETHYLENE GLYCOL × 3 PEG DI(HYDROXYETHYL)ETHER × 5 1PE PENTAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277.15 K；25 mM MES pH6.5, 150 mM NaCl, 25% v/v PEG 3350
Resolution 2.82 Å R-free 0.239
7RK7 The complex between TIL 1383i TCR and human Class I MHC HLA-A2 with the bound Tyrosinase(369-377)(N371D) nonameric peptide Deposited 2021-07-22 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；16% PEG 3350, 2% tacsimate, 100mM Tris (pH 8.5)
Resolution 2.54 Å R-free 0.255
7RM4 Neoantigen p53R175H-specific TCR 6-11 binds to p53R175H-HLA-A2 Deposited 2021-07-26 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；20% (w/v) PEG 3350, 0.1 M Bis-Tris propane (pH 8.5), and 0.2 M Potassium thiocyanate
Resolution 3.33 Å R-free 0.295
7RM4 Neoantigen p53R175H-specific TCR 6-11 binds to p53R175H-HLA-A2 Deposited 2021-07-26 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；20% (w/v) PEG 3350, 0.1 M Bis-Tris propane (pH 8.5), and 0.2 M Potassium thiocyanate
Resolution 3.33 Å R-free 0.295
7RM4 Neoantigen p53R175H-specific TCR 6-11 binds to p53R175H-HLA-A2 Deposited 2021-07-26 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；20% (w/v) PEG 3350, 0.1 M Bis-Tris propane (pH 8.5), and 0.2 M Potassium thiocyanate
Resolution 3.33 Å R-free 0.295
7RM4 Neoantigen p53R175H-specific TCR 6-11 binds to p53R175H-HLA-A2 Deposited 2021-07-26 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain Q 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；20% (w/v) PEG 3350, 0.1 M Bis-Tris propane (pH 8.5), and 0.2 M Potassium thiocyanate
Resolution 3.33 Å R-free 0.295
7RRG Crystal structure of human 0606T1-2 TCR bound to HLA-A*03:01 in complex with a mutant PIK3CA peptide Deposited 2021-08-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 13 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277.15 K；12% w/v Polyethylene glycol 3,350, 100 mM Succinic acid
Resolution 2.12 Å R-free 0.221
7RTD SARS-CoV-2 Spike-derived peptide S269-277 (YLQPRTFLL) presented by HLA-A*02:01 Deposited 2021-08-13 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG 3350, 0.2M NaFluoride
Resolution 2.05 Å R-free 0.235
7RTR YLQ-SG3 TCR in complex with SARS-CoV-2 Spike-derived peptide S269-277 (YLQPRTFLL) presented by HLA-A*02:01 Deposited 2021-08-14 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded NA SODIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG3350, 0.05 M Zinc Acetate
Resolution 2.60 Å R-free 0.235
7RYM CD1a-endo-gdTCR complex Deposited 2021-08-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG3350, 0.2M Ammonium Sulfate
Resolution 3.20 Å R-free 0.286
7RYN CD1a-sulfatide-gdTCR complex Deposited 2021-08-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded CIS (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE × 1 EDO 1,2-ETHANEDIOL × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PEG DI(HYDROXYETHYL)ETHER × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；15% PEG 4000, 0.15M Ammonium Sulfate, 0.1M MES pH6
Resolution 2.70 Å R-free 0.268
7RYO CD1a-dideoxymycobactin-gdTCR complex Deposited 2021-08-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 2 WGR dideoxymycobactin-838 × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；20% PEG 3350, 0.2M Ammonium sulfate
Resolution 3.00 Å R-free 0.267
7RZD CRYSTAL STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PEPTIDE Deposited 2021-08-27 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 CL CHLORIDE ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；18-24%PEG4000, 0.1M SODIUM CITRATE, 20% ISOPROPANOL, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K
Resolution 1.82 Å R-free 0.236
7RZJ CRYSTAL STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE Deposited 2021-08-27 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；18-24%PEG4000, 0.1 SODIUM CITRATE, 20% ISOPROPANOL, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 290K
Resolution 1.80 Å R-free 0.217
7S79 STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH SYNTHETIC PHOSPHONO-MLL PEPTIDE ANALOG Deposited 2021-09-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；290 K；18-24% PEG4000, 0.1 SODIUM CITRATE, 20% ISOPROPANOL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE
Resolution 1.53 Å R-free 0.196
7S7D STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH SYNTHETIC SULFO-MLL PEPTIDE ANALOG Deposited 2021-09-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；290 K；18-24% PEG4000, 0.1 SODIUM CITRATE, 20% ISOPROPANOL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE
Resolution 1.56 Å R-free 0.195
7S7E STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PEPTIDE Deposited 2021-09-15 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；290 K；18-24% PEG4000, 0.1 SODIUM CITRATE, 20% ISOPROPANOL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE
Resolution 2.04 Å R-free 0.235
7S7F STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PHOSPHOPEPTIDE Deposited 2021-09-15 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；290 K；18-24% PEG4000, 0.1 SODIUM CITRATE, 20% ISOPROPANOL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE
Resolution 1.88 Å R-free 0.217
7S8A STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE, CUBIC CRYSTAL FORM Deposited 2021-09-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded 12P DODECAETHYLENE GLYCOL × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 PGE TRIETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 1 PG4 TETRAETHYLENE GLYCOL × 1 ACT ACETATE ION × 1 1PE PENTAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；290 K；35% PEG4000, 0.1M TRIS-HCL, PH 8.5, 0.2M SODIUM ACETATE, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE
Resolution 2.10 Å R-free 0.206
7S8E STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE AND BOUND GLYCEROL Deposited 2021-09-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；290 K；18-24%PEG4000, 0.1 SODIUM CITRATE, 20% ISOPROPANOL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE
Resolution 1.60 Å R-free 0.195
7S8F STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PEPTIDE AND BOUND GLYCEROL Deposited 2021-09-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；290 K；18-26%PEG4000, 0.1 SODIUM CITRATE, 20% ISOPROPANOL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE
Resolution 1.80 Å R-free 0.206
7S8Q Crystal Structure of HLA A*1101 in complex with KTNGNAFIGK, an 10-mer epitope from Influenza B Deposited 2021-09-19 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；20% PEG 3350, 0.1M BisTris pH 6.5
Resolution 2.08 Å R-free 0.217
7S8Q Crystal Structure of HLA A*1101 in complex with KTNGNAFIGK, an 10-mer epitope from Influenza B Deposited 2021-09-19 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；20% PEG 3350, 0.1M BisTris pH 6.5
Resolution 2.08 Å R-free 0.217
7S8R Crystal Structure of HLA A*1101 in complex with SALEWIKNK, an 9-mer epitope from Influenza B Deposited 2021-09-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；2M Ammonium Sulfate, 0.1 Tris pH 8, 0.2 Lithium Sulfate, 2% PEG 400
Resolution 2.95 Å R-free 0.278
7S8R Crystal Structure of HLA A*1101 in complex with SALEWIKNK, an 9-mer epitope from Influenza B Deposited 2021-09-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded MG MAGNESIUM ION × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；2M Ammonium Sulfate, 0.1 Tris pH 8, 0.2 Lithium Sulfate, 2% PEG 400
Resolution 2.95 Å R-free 0.278
7S8S Crystal Structure of HLA A*1101 in complex with RVLVNGTFLK, an 10-mer epitope from Influenza B Deposited 2021-09-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；26% PEG 3350, 0.1M BisTris pH 6.3, 0.2M Lithium Sulfate
Resolution 1.87 Å R-free 0.225
7SA2 SARS-CoV-2 spike-derived peptide S1060-1068 (VVFLHVTYV) presented by HLA-A*02:01 Deposited 2021-09-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded CD CADMIUM ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；20% PEG 3350, 0.2 M K formate, 1 mM CdCl2
Resolution 1.85 Å R-free 0.196
7SH4 CD1a-phosphatidylglycerol binary structure Deposited 2021-10-07 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 MW9 (21R,24R,27S)-24,27,28-trihydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate × 1 EDO 1,2-ETHANEDIOL × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；20-25% PEG 1500, 0.1M MMT pH 5.5
Resolution 2.00 Å R-free 0.230
7SIF Crystal Structure of HLA B*3505 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I Deposited 2021-10-14 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.1M BIS-TRIS, 25% PEG3350
Resolution 1.73 Å R-free 0.230
7SIG Crystal Structure of HLA B*3501 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I Deposited 2021-10-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded FLC CITRATE ANION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.2M Ammonium Acetate, 20% PEG4000
Resolution 1.74 Å R-free 0.216
7SIH Crystal Structure of HLA B*3503 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I Deposited 2021-10-14 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.1M HEPES, 20% PEG8000
Resolution 1.90 Å R-free 0.232
7SIS SARS-CoV-2 Spike-derived peptide S976-984 (VLNDILSRL) presented by HLA-A*02:01 Deposited 2021-10-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded ACT ACETATE ION × 1 CD CADMIUM ION × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；20% PEG 3350, 0.2M Ammonium Formate, 1 mM CdCl2
Resolution 1.90 Å R-free 0.206
7STF Structure of KRAS G12V/HLA-A*03:01 in complex with antibody fragment V2 Deposited 2021-11-12 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 19–119（101 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.14 Å
7SU9 KRAS-G12D specific TCR9a in complex with C*05-GADGVGKSL Deposited 2021-11-16 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded MG MAGNESIUM ION × 2 GOL GLYCEROL × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；293 K；22% PEG 3350, 0.1 M Mops and 0.25 M MgSO4
Resolution 1.99 Å R-free 0.214
7T0L HLA-B*27:05 in complex with the pan-HLA-Ia monoclonal antibody W6/32 Deposited 2021-11-29 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；PEG 5000 MME, 0.1 M Bis-Tris pH 6.0
Resolution 3.00 Å R-free 0.252
7T0L HLA-B*27:05 in complex with the pan-HLA-Ia monoclonal antibody W6/32 Deposited 2021-11-29 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；PEG 5000 MME, 0.1 M Bis-Tris pH 6.0
Resolution 3.00 Å R-free 0.252
7T5M Structure of HLA-A*02:01-FLPTPEELGLLGPPRPQVLA complex Deposited 2021-12-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；273 K；0.12M Monosaccharides (D-Glucose; D-Mannose; D-Galactose; L-Fucose; D-Xylose; N-Acetyl-D-Glucosamine), 0.1M of Na-HEPES and MOPS buffer at pH 7.5, 20% W/V Glycerol and 10% W/V PEG 4000
Resolution 1.67 Å R-free 0.208
7T5M Structure of HLA-A*02:01-FLPTPEELGLLGPPRPQVLA complex Deposited 2021-12-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；273 K；0.12M Monosaccharides (D-Glucose; D-Mannose; D-Galactose; L-Fucose; D-Xylose; N-Acetyl-D-Glucosamine), 0.1M of Na-HEPES and MOPS buffer at pH 7.5, 20% W/V Glycerol and 10% W/V PEG 4000
Resolution 1.67 Å R-free 0.208
7TLT SARS-CoV-2 Spike-derived peptide S489-497 (YFPLQSYGF) presented by HLA-A*29:02 Deposited 2022-01-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded SO4 SULFATE ION × 3 MG MAGNESIUM ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.9 M Ammonium Sulfate, 20 mM Magnesium chloride, 0.1M Bis-tris propane, 2% Ethylene glycol, 2% 2-Methyl-2,4-pentanediol
Resolution 2.30 Å R-free 0.238
7TLT SARS-CoV-2 Spike-derived peptide S489-497 (YFPLQSYGF) presented by HLA-A*29:02 Deposited 2022-01-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded SO4 SULFATE ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.9 M Ammonium Sulfate, 20 mM Magnesium chloride, 0.1M Bis-tris propane, 2% Ethylene glycol, 2% 2-Methyl-2,4-pentanediol
Resolution 2.30 Å R-free 0.238
7TR4 MA2-MART1-HLAA0201 Deposited 2022-01-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 22–119（98 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；20% PEG-6000 0.1M Tris (pH8) 0.2M MgCl2
Resolution 2.30 Å R-free 0.267
7TUC Crystal structure of HLA-B*44:05 (T73C) with 9mer EEFGRAFSF Deposited 2022-02-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；16% PEG 3350, 0.1M Tris, 0.2M Ca Acetate
Resolution 1.25 Å R-free 0.195
7TUD Crystal structure of HLA-B*44:05 (T73C) with 6mer EEFGRC and dipeptide GL Deposited 2022-02-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；25% PEG 1500, 0.1M SPG (Succinic acid, Sodium phosphate monobasic monohydrate and Glycine)
Resolution 1.45 Å R-free 0.213
7TUE Crystal structure of Tapasin in complex with HLA-B*44:05 (T73C) Deposited 2022-02-02 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；2.0M AmSO4, 0.1M Tris
Resolution 3.10 Å R-free 0.309
7U1R SARS-CoV-2 Spike-derived peptide S1185-1193 K1191N mutant (RLNEVANNL) presented by HLA-A*02:01 Deposited 2022-02-22 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded CD CADMIUM ION × 1 ZN ZINC ION × 1 NA SODIUM ION × 1 ACT ACETATE ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；18% P4000, 0.1M HEPES 7.6, 0.1M MgCl2, 1 mM CdCl2
Resolution 1.80 Å R-free 0.196
7U21 Human Class I MHC HLA-A2 in complex with AVGSYVYSV peptide Deposited 2022-02-22 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；15% PEG 3350, 0.1M MES pH 6.5
Resolution 1.90 Å R-free 0.214
7U21 Human Class I MHC HLA-A2 in complex with AVGSYVYSV peptide Deposited 2022-02-22 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；15% PEG 3350, 0.1M MES pH 6.5
Resolution 1.90 Å R-free 0.214
7UC5 Crystal Structure of HLA A*0301 in complex with ILRGSVAHK, a 9-mer epitope from Influenza A Deposited 2022-03-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；0.2 Ammonium Sulfate, 0.1 Bis-Tris propane pH 6.5, 22% PEG 3350
Resolution 1.95 Å R-free 0.229
7UC5 Crystal Structure of HLA A*0301 in complex with ILRGSVAHK, a 9-mer epitope from Influenza A Deposited 2022-03-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；0.2 Ammonium Sulfate, 0.1 Bis-Tris propane pH 6.5, 22% PEG 3350
Resolution 1.95 Å R-free 0.229
7UFJ Structure of human MR1-ethylvanillin in complex with human MAIT A-F7 TCR Deposited 2022-03-22 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded PRO PROLINE × 1 N36 3-ethoxy-4-hydroxybenzaldehyde × 1 GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；BTP PEG 3350 NaAc
Resolution 2.50 Å R-free 0.238
7UFJ Structure of human MR1-ethylvanillin in complex with human MAIT A-F7 TCR Deposited 2022-03-22 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded PRO PROLINE × 1 N36 3-ethoxy-4-hydroxybenzaldehyde × 1 GOL GLYCEROL × 7 ACT ACETATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；BTP PEG 3350 NaAc
Resolution 2.50 Å R-free 0.238
7UM2 SARS-CoV-2 Spike-derived peptide S417-425 K417T mutant (TIADYNYKL) presented by HLA-A*02:01 Deposited 2022-04-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded ZN ZINC ION × 1 CD CADMIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；14% P3350; 0.1M NaFlu; 2% EG; 1 mM CdCl2
Resolution 1.63 Å R-free 0.195
7UMG Crystal structure of human CD8aa-MR1-Ac-6-FP complex Deposited 2022-04-06 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded 30W N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide × 1 PO4 PHOSPHATE ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；Na K Phosphate, PEG 1K and NaCl
Resolution 2.40 Å R-free 0.218
7UR1 SARS-CoV-2 Spike-derived peptide S1215-1224 (YIWLGFIAGL) presented by HLA-A*02:01 Deposited 2022-04-21 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% P3350; 0.2 M K Acet
Resolution 2.17 Å R-free 0.277
7WJ2 Crystal structure of HLA-C*1402 complexed with 8-mer HIV gag peptide Deposited 2022-01-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 20–119（100 aa）
Not recorded EDO 1,2-ETHANEDIOL × 7 NA SODIUM ION × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；100 mM sodium acetate, 20 % PEG Smear Low
Resolution 1.28 Å R-free 0.178
7WJ3 Crystal structure of HLA-C*1402 complexed with 4-mer lipopeptide Deposited 2022-01-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 20–119（100 aa）
Not recorded EDO 1,2-ETHANEDIOL × 18 MYR MYRISTIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.7；277 K；200 mM ammonium acetate, 100 mM sodium acetate, 5 % ethylene glycol, 25 % PEG Smear Low
Resolution 1.56 Å R-free 0.187
7WKJ A COVID-19 T-cell response detection method based on a newly identified human CD8+ T cell epitope from SARS-CoV-2-Hubei Province, 2021. Deposited 2022-01-10 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；2.0 M Ammonium sulfate
Resolution 1.50 Å R-free 0.242
7WT3 Crystal structure of HLA-A*2402 complexed with 4-mer lipopeptide Deposited 2022-02-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 20–119（100 aa）
Not recorded TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 ACT ACETATE ION × 2 ZN ZINC ION × 2 EDO 1,2-ETHANEDIOL × 26 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；2mM ZnCL2, 100mM Tris, 20% PEG 6000
Resolution 1.89 Å R-free 0.235
7WT3 Crystal structure of HLA-A*2402 complexed with 4-mer lipopeptide Deposited 2022-02-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 20–119（100 aa）
Not recorded ACT ACETATE ION × 1 ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；2mM ZnCL2, 100mM Tris, 20% PEG 6000
Resolution 1.89 Å R-free 0.235
7WT4 Crystal structure of HLA-A*2402 complexed with 8-mer Influenza PB1 peptide Deposited 2022-02-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 20–119（100 aa）
Not recorded EDO 1,2-ETHANEDIOL × 33 ZN ZINC ION × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；293 K；100mM Tris, 20% PEG 6000
Resolution 1.89 Å R-free 0.232
7WT4 Crystal structure of HLA-A*2402 complexed with 8-mer Influenza PB1 peptide Deposited 2022-02-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 20–119（100 aa）
Not recorded EDO 1,2-ETHANEDIOL × 13 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；293 K；100mM Tris, 20% PEG 6000
Resolution 1.89 Å R-free 0.232
7WT5 Crystal structure of HLA-A*2450 complexed with 8-mer model peptide Deposited 2022-02-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 20–119（100 aa）
Not recorded ZN ZINC ION × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 EDO 1,2-ETHANEDIOL × 35 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；277 K；100mM Tris, 20 % PEG 8000
Resolution 2.10 Å R-free 0.228
7WT5 Crystal structure of HLA-A*2450 complexed with 8-mer model peptide Deposited 2022-02-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 20–119（100 aa）
Not recorded ZN ZINC ION × 2 EDO 1,2-ETHANEDIOL × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；277 K；100mM Tris, 20 % PEG 8000
Resolution 2.10 Å R-free 0.228
7WZZ Crystal structure of peptide KAGQVVTIW in complex with HLA-B5801 Deposited 2022-02-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.9；293 K；0.2M Sodium thiocyanate, 20%(w/v) Polyethylene glycol 3,350
Resolution 1.30 Å R-free 0.169
7X00 Crystal structure of peptide VSFIEFVGW in complex with HLA-B5801 Deposited 2022-02-20 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；293 K；0.04 M Citric acid, 0.06 M BIS-TRIS propane, 20% w/v Polyethylene glycol 3350
Resolution 1.45 Å R-free 0.168
7X1B Crystal structure of peptide KAGQVVTI in complex with HLA-B5801 Deposited 2022-02-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.9；293 K；0.2 M Sodium thiocyanate, 20% w/v Polyethylene glycol 3350
Resolution 1.40 Å R-free 0.179
7X1C Crystal structure of peptide VSFIEFVI in complex with HLA-B5801 Deposited 2022-02-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；293 K；0.04 M Citric acid, 0.06 M BIS-TRIS propane, 20% w/v Polyethylene glycol 3350
Resolution 1.41 Å R-free 0.180
7XF3 The structure of HLA-B*1501/BM58-66AF9 Deposited 2022-03-31 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；20% w/v PEG 2000, 0.1M MES
Resolution 1.91 Å R-free 0.232
7YG3 Crystal structure of HLA-B*13:01 Deposited 2022-07-11 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289.15 K；0.1 M HEPES pH 6.5, 20% PEG 4000, 0.2 M NaCl
Resolution 1.50 Å R-free 0.195
7ZT2 Structure of E8 TCR in complex with human MR1 bound to 5-OP-RU Deposited 2022-05-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 2LJ 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Potassium thiocyanate, 0.1 M Bis-Tris Propane pH 8.5, 20 % PEG 3350
Resolution 2.40 Å R-free 0.276
7ZT3 Structure of E8 TCR in complex in human MR1 K43A Deposited 2022-05-09 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5, 15 % PEG 4000
Resolution 2.40 Å R-free 0.236
7ZT4 Structure of E8 TCR in complex with human MR1 bound to 6FP Deposited 2022-05-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded JSO 2-azanyl-6-methyl-3~{H}-pteridin-4-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Sodium iodide, 0.1 M Bis-Tris propane pH 8.5 and 20 % w/v PEG 3350
Resolution 2.02 Å R-free 0.268
7ZT5 Structure of E8 TCR in complex in human MR1 bound to 3FSA Deposited 2022-05-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 7ZS 3-methanoyl-2-oxidanyl-benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Sodium malonate dibasic monohydrate, 0.1 M Bis-Tris Propane pH 8.5, 20% PEG 3350
Resolution 2.09 Å R-free 0.266
7ZT7 Structure of E8 TCR in complex in human MR1 bound to 5FSA Deposited 2022-05-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 54G 2-hydroxy-5-methylbenzoic acid × 1 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Sodium fluoride, 0.1 M Bis-Tris propane pH 8.5, 20% PEG 3350
Resolution 1.84 Å R-free 0.255
7ZT8 Structure of E8 TCR in complex in human MR1 bound to 3FBA Deposited 2022-05-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded OVV 3-methylbenzoic acid × 1 EDO 1,2-ETHANEDIOL × 1 MPO 3[N-MORPHOLINO]PROPANE SULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Magnesium acetate tetrahydrate, 0.1 M MOPS pH 7.5, 12 % PEG 8000
Resolution 2.29 Å R-free 0.263
7ZT9 Structure of E8 TCR in complex in human MR1 bound to 4FBA Deposited 2022-05-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 4MA 4-METHYLBENZOIC ACID × 1 EDO 1,2-ETHANEDIOL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M HEPES pH 7.5, 20% PEG 4000, 15% Glycerol
Resolution 2.13 Å R-free 0.244
7ZUC Human Major Histocompatibility Complex A2 allele presenting LLLGIGILV Deposited 2022-05-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；20% PEG 3,350, 0.2 M Potassium Thiocyanate, 0.1 M BIS-TRIS Propane pH 7.5
Resolution 1.89 Å R-free 0.247
7ZUC Human Major Histocompatibility Complex A2 allele presenting LLLGIGILV Deposited 2022-05-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；20% PEG 3,350, 0.2 M Potassium Thiocyanate, 0.1 M BIS-TRIS Propane pH 7.5
Resolution 1.89 Å R-free 0.247
8A7O beta-2-microglobulin DeltaN6 amyloid fibril form 2PFa Deposited 2022-06-21 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 27–119（93 aa）
Chain B 27–119（93 aa）
Chain C 27–119（93 aa）
Chain D 27–119（93 aa）
Chain E 27–119（93 aa）
Chain F 27–119（93 aa）
Mutation：deltaN6, K6M Mutation：deltaN6, K6M Mutation：deltaN6, K6M Mutation：deltaN6, K6M Mutation：deltaN6, K6M Mutation：deltaN6, K6M No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 6.2
cryo-EM vitrification conditions Cryogen ETHANE；6s blot
Resolution 3.00 Å
8A7P beta-2-microglobulin DeltaN6 amyloid fibril form 2PFb Deposited 2022-06-21 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 27–119（93 aa）
Chain B 27–119（93 aa）
Chain C 27–119（93 aa）
Chain D 27–119（93 aa）
Chain E 27–119（93 aa）
Chain F 27–119（93 aa）
Mutation：deltaN6, K6M Mutation：deltaN6, K6M Mutation：deltaN6, K6M Mutation：deltaN6, K6M Mutation：deltaN6, K6M Mutation：deltaN6, K6M No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 6.2
cryo-EM vitrification conditions Cryogen ETHANE；6s blot
Resolution 3.40 Å
8A7Q beta-2-microglobulin V27M amyloid fibril form 4PF Deposited 2022-06-21 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric
Chain A 21–119（99 aa）
Chain B 21–119（99 aa）
Chain C 21–119（99 aa）
Chain D 21–119（99 aa）
Chain E 21–119（99 aa）
Chain F 21–119（99 aa）
Chain G 21–119（99 aa）
Chain H 21–119（99 aa）
Chain I 21–119（99 aa）
Chain J 21–119（99 aa）
Chain K 21–119（99 aa）
Chain L 21–119（99 aa）
Mutation：V27M Mutation：V27M Mutation：V27M Mutation：V27M Mutation：V27M Mutation：V27M Mutation：V27M Mutation：V27M Mutation：V27M Mutation：V27M Mutation：V27M Mutation：V27M No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 6.2
cryo-EM vitrification conditions Cryogen ETHANE；6s blot
Resolution 2.80 Å
8A7T beta-2-microglobulin D76N amyloid fibril form 2PFa Deposited 2022-06-21 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 21–119（99 aa）
Chain B 21–119（99 aa）
Chain C 21–119（99 aa）
Chain D 21–119（99 aa）
Chain E 21–119（99 aa）
Chain F 21–119（99 aa）
Mutation：D76N Mutation：D76N Mutation：D76N Mutation：D76N Mutation：D76N Mutation：D76N No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 6.2
cryo-EM vitrification conditions Cryogen ETHANE；6s blot
Resolution 3.00 Å
8BP6 Structure of MHC-class I related molecule MR1 with bound M3Ade. Deposited 2022-11-16 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Not recorded R8F (1R,5S)-8-(9H-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Morpheus-F9
Resolution 2.80 Å R-free 0.247
8BP6 Structure of MHC-class I related molecule MR1 with bound M3Ade. Deposited 2022-11-16 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 21–119（99 aa）
Not recorded R8F (1R,5S)-8-(9H-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Morpheus-F9
Resolution 2.80 Å R-free 0.247
8CX4 TCR-antigen complex AS8.4-YEIH-HLA*B27 Deposited 2022-05-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；25% PEG3350 and 0.1M HEPES pH 7.5
Resolution 2.20 Å R-free 0.264
8DNT SARS-CoV-2 specific T cell receptor Deposited 2022-07-11 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；295 K；13.5% (w/v) PEG 20,000, 0.1 M Tris-HCl
Resolution 3.18 Å R-free 0.313
8DNT SARS-CoV-2 specific T cell receptor Deposited 2022-07-11 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；295 K；13.5% (w/v) PEG 20,000, 0.1 M Tris-HCl
Resolution 3.18 Å R-free 0.313
8DNT SARS-CoV-2 specific T cell receptor Deposited 2022-07-11 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain T 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；295 K；13.5% (w/v) PEG 20,000, 0.1 M Tris-HCl
Resolution 3.18 Å R-free 0.313
8DNT SARS-CoV-2 specific T cell receptor Deposited 2022-07-11 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain Z 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；295 K；13.5% (w/v) PEG 20,000, 0.1 M Tris-HCl
Resolution 3.18 Å R-free 0.313
8DV3 Crystal structure of human CD1b presenting Phosphatidylinositol C34:1 Deposited 2022-07-28 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 6 CL CHLORIDE ION × 6 NA SODIUM ION × 2 6UL TETRACOSYL PALMITATE × 1 IOD IODIDE ION × 2 PIE 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoinositol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；24% PEG 3350, 0.2M Sodium Iodide, 2% ethylene glycol
Resolution 1.90 Å R-free 0.253
8DV4 Crystal structure of the BC8B TCR-CD1b-PI complex Deposited 2022-07-28 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 2 GOL GLYCEROL × 2 MAN alpha-D-mannopyranose × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CUY tetracosyl octadecanoate × 1 CL CHLORIDE ION × 1 NA SODIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；24 %(w/v) PEG 4000, 0.02 M Tris-HCl (pH 7.0), 2% ethylene glycol
Resolution 2.40 Å R-free 0.255
8DVG Structure of KRAS WT(7-16)-HLA-A*03:01 Deposited 2022-07-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–119（119 aa）
Not recorded SO4 SULFATE ION × 13 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2M ammonium sulfate 0.1M sodium cacodylate pH 6.5 30 % w/v PEG 8,000
Resolution 2.59 Å R-free 0.228
8E13 Structures of HLA-B8E76C loaded with long peptides reveal novel features at the N-terminus of the groove Deposited 2022-08-09 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.6；298 K；0.2 M ammonium acetate, 18% PEG 4000, 0.1 M sodium citrate,
Resolution 1.37 Å R-free 0.210
8E2Z Structures of HLA-B8E76C loaded with long peptides reveal novel features at the N-terminus of the groove Deposited 2022-08-16 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；0.2 M ammonium acetate, 15% PEG 4000, 0.1 M sodium citrate, pH5.6,
Resolution 1.13 Å R-free 0.217
8E8I Structures of HLA-B8E76C loaded with long peptides reveal novel features at the N-terminus of the groove Deposited 2022-08-25 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.8；298 K；0.2 M ammonium acetate, 15% PEG 1000, 0.1 M sodium citrate
Resolution 1.49 Å R-free 0.211
8EB2 Structure of HLA-A*02:01 in complex with NY-ESO-1 peptide and PA2.1 Fab Deposited 2022-08-30 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.2M L-Proline, 0.1M HEPES pH 7.5, 13% PEG3350
Resolution 2.90 Å R-free 0.284
8EB2 Structure of HLA-A*02:01 in complex with NY-ESO-1 peptide and PA2.1 Fab Deposited 2022-08-30 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.2M L-Proline, 0.1M HEPES pH 7.5, 13% PEG3350
Resolution 2.90 Å R-free 0.284
8EB2 Structure of HLA-A*02:01 in complex with NY-ESO-1 peptide and PA2.1 Fab Deposited 2022-08-30 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain H 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.2M L-Proline, 0.1M HEPES pH 7.5, 13% PEG3350
Resolution 2.90 Å R-free 0.284
8EC5 Structures of HLA-B8E76C loaded with long peptides reveal novel features at the N-terminus of the groove Deposited 2022-09-01 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 5.8；298 K；0.2 M ammonium acetate, 15% PEG 10000, 0.1 M sodium citrate
Resolution 1.22 Å R-free 0.212
8EK5 Engineered scFv 10LH bound to PHOX2B/HLA-A24:02 Deposited 2022-09-20 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 2 NO3 NITRATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；20% PEG 3350, 0.2M Sodium Nitrate
Resolution 2.11 Å R-free 0.212
8ELG Crystal Structure of HLA-B*15:01 in complex with spike derived peptide NQKLIANAF from OC43 virus Deposited 2022-09-24 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；2% ethylene glycol, 20% w/v PEG3350
Resolution 1.65 Å R-free 0.220
8ELH Crystal Structure of HLA-B*15:01 in complex with spike derived peptide NQKLIANQF from SARS-CoV-2 virus Deposited 2022-09-24 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；0.2 M sodium formate, pH 7.0, 20% w/v PEG3350
Resolution 1.85 Å R-free 0.223
8EMF Crystal structure of a HLA-B*35:01-NP6 epitope from 1977 H1N1 influenza strain Deposited 2022-09-27 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；297 K；PEG
Resolution 1.80 Å R-free 0.203
8EMG Crystal structure of a HLA-B*35:01-NP7 epitope from 2002 H2N1 influenza strain Deposited 2022-09-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；297 K；PEG
Resolution 1.83 Å R-free 0.206
8EMI Crystal structure of a HLA-B*35:01-NP8 epitope from 2005 H1N1 influenza strain Deposited 2022-09-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；297 K；PEG
Resolution 1.57 Å R-free 0.208
8EMJ Crystal structure of HLA-B*35:01-NP9 epitope from 2006 H1N1 influenza strain Deposited 2022-09-27 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；297 K；PEG, Acetate
Resolution 1.75 Å R-free 0.214
8EMK Crystal structure of HLA-B*35:01-NP3 epitope from 1957 H2N2 influenza strain Deposited 2022-09-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；297 K；PEG, NA ACETATE
Resolution 1.67 Å R-free 0.206
8EN8 Cross-reactive 3180 TCR recognition of HLA-B*35:01-NP4 epitope from 1972 influenza strain Deposited 2022-09-29 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；297 K；PEG
Resolution 2.70 Å R-free 0.249
8EN8 Cross-reactive 3180 TCR recognition of HLA-B*35:01-NP4 epitope from 1972 influenza strain Deposited 2022-09-29 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；297 K；PEG
Resolution 2.70 Å R-free 0.249
8ENH Cross-reactive 3180 TCR recognition of HLA-B*35:01-NP7 epitope from 2002 H3N2 influenza strain Deposited 2022-09-30 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；297 K；PEG, ACETATE
Resolution 2.50 Å R-free 0.230
8ENH Cross-reactive 3180 TCR recognition of HLA-B*35:01-NP7 epitope from 2002 H3N2 influenza strain Deposited 2022-09-30 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；297 K；PEG, ACETATE
Resolution 2.50 Å R-free 0.230
8ENH Cross-reactive 3180 TCR recognition of HLA-B*35:01-NP7 epitope from 2002 H3N2 influenza strain Deposited 2022-09-30 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；297 K；PEG, ACETATE
Resolution 2.50 Å R-free 0.230
8ENH Cross-reactive 3180 TCR recognition of HLA-B*35:01-NP7 epitope from 2002 H3N2 influenza strain Deposited 2022-09-30 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain Q 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；297 K；PEG, ACETATE
Resolution 2.50 Å R-free 0.230
8EO8 Cross-reactive 3180 TCR recognition of HLA-B*35:01-NP8 epitope from 2005 H1N1 influenza strain Deposited 2022-10-02 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；297 K；PEG, ACETATE
Resolution 2.30 Å R-free 0.219
8EO8 Cross-reactive 3180 TCR recognition of HLA-B*35:01-NP8 epitope from 2005 H1N1 influenza strain Deposited 2022-10-02 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；297 K；PEG, ACETATE
Resolution 2.30 Å R-free 0.219
8EO8 Cross-reactive 3180 TCR recognition of HLA-B*35:01-NP8 epitope from 2005 H1N1 influenza strain Deposited 2022-10-02 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；297 K；PEG, ACETATE
Resolution 2.30 Å R-free 0.219
8EO8 Cross-reactive 3180 TCR recognition of HLA-B*35:01-NP8 epitope from 2005 H1N1 influenza strain Deposited 2022-10-02 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain Q 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；297 K；PEG, ACETATE
Resolution 2.30 Å R-free 0.219
8ERX Structure of chimeric HLA-A*11:01-A*02:01 bound to HIV-1 RT peptide Deposited 2022-10-13 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；294.15 K；0.02 Sodium/Potassium phosphate, 0.1 M BIS-TRIS propane pH 8.5, 18-22% PEG 3350
Resolution 2.07 Å R-free 0.231
8ES8 CryoEM structure of PN45545 TCR-CD3 in complex with HLA-A2 MAGEA4 (230-239) Deposited 2022-10-13 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 11 PDB declaration: undecameric
Chain M 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded Y01 CHOLESTEROL HEMISUCCINATE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.65 Å
8ES9 CryoEM structure of PN45428 TCR-CD3 in complex with HLA-A2 MAGEA4 Deposited 2022-10-13 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 11 PDB declaration: undecameric
Chain M 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 Y01 CHOLESTEROL HEMISUCCINATE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.25 Å
8ESH Structure of chimeric HLA-A*02:01 bound to CMV peptide Deposited 2022-10-14 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；294.15 K；0.2 M Sodium Fluoride, 0.1 M BIS-TRIS propane pH 8.5, 20-24% PEG 3350
Resolution 2.72 Å R-free 0.260
8F5A Crystal Structure of KS1 TCR in complex with HLA-B*57:01-TW10 Deposited 2022-11-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded ACT ACETATE ION × 1 NA SODIUM ION × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；8 % tacsimate, 20 % PEG3350
Resolution 1.95 Å R-free 0.237
8F7M Crystal Structure of HLA-B*57:01-TW10-T242N complex Deposited 2022-11-18 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；20 % w/v PEG4000, 0.2 M ammonium acetate, 0.1 M sodium cacodylate
Resolution 1.88 Å R-free 0.220
8FJA CryoEM structure of HLA-A2 MAGEA4 (230-239) in complex with REGN6972 Fab Deposited 2022-12-19 Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å
8FJB CryoEM structure of HLA-A2 MAGEA4 (286-294) in complex with H2aM31345N Fab Deposited 2022-12-19 Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.06 Å
8FRT X-ray crystal structure of the N-terminal region from HCMV US11 binding to HLA-A*02:01 Deposited 2023-01-08 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；30% (w/v) PEG3350, 0.1 M DL-malic acid pH 7.0, 83 mM cesium chloride
Resolution 1.80 Å R-free 0.239
8FU4 HCMV US11 peptide binding to HLA-A*02:01 Deposited 2023-01-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 CD CADMIUM ION × 1 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；26% (w/v) PEG3350 and 0.1 M DL-malic acid pH 7.0, 83 mM cesium chloride
Resolution 1.60 Å R-free 0.204
8GLE Crystal Structure of Human CD1b in Complex with Lysosulfatide Deposited 2023-03-22 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded SGF (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside × 1 CUY tetracosyl octadecanoate × 1 IOD IODIDE ION × 1 EDO 1,2-ETHANEDIOL × 4 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；26% PEG3350, 0.1 M sodium iodide, 2% ethylene glycol
Resolution 1.85 Å R-free 0.229
8GLF Crystal Structure of Human CD1b in Complex with Sphingomyelin C34:2 Deposited 2023-03-22 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 2 3LY [(~{Z},2~{R},3~{S})-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate × 1 6UL TETRACOSYL PALMITATE × 1 CL CHLORIDE ION × 4 IOD IODIDE ION × 2 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；28% PEG3350, 0.2 M sodium iodide
Resolution 2.00 Å R-free 0.231
8GLG Crystal Structure of Human CD1b in Complex with Phosphatidylethanolamine C34:1 Deposited 2023-03-22 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded L9Q (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate × 1 NI NICKEL (II) ION × 1 CUY tetracosyl octadecanoate × 1 CL CHLORIDE ION × 4 IOD IODIDE ION × 2 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；27% PEG3350, 0.1 M sodium iodide
Resolution 1.60 Å R-free 0.209
8GLH Crystal Structure of Human CD1b in Complex with Endogenous PC C40:5 Deposited 2023-03-22 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded IOD IODIDE ION × 3 3IV (11E)-hexadec-11-enoic acid × 1 3IY [(2~{R})-1-dodecanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] (8~{Z},11~{Z},14~{Z},24~{Z},27~{Z})-triaconta-8,11,14,24,27-pentaenoate × 1 EDO 1,2-ETHANEDIOL × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；24% PEG3350, 0.2 M sodium iodide, 2% ethylene glycol
Resolution 1.83 Å R-free 0.221
8GLI Crystal Structure of Human CD1b in Complex with Mycobacterial C85-GMM Deposited 2023-03-22 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–119（99 aa）
Not recorded ZR2 6-O-[(2R,3R)-3-hydroxy-20-{(1R,2S)-2-[(17R,18R)-17-methoxy-18-methyldotriacontyl]cyclopropyl}-2-pentadecylicosanoyl]-alpha-L-galactopyranose × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CL CHLORIDE ION × 1 IOD IODIDE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；26% PEG3350, 0.2 M sodium iodide, 2% ethylene glycol
Resolution 2.10 Å R-free 0.267
8GOM SARS-CoV-2 specific private TCR RLQ7 in complex with RLQ-HLA-A2 Deposited 2022-08-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.1 M Tris-HCl pH 8.5, 0.01 M Trimethylamine hydrochloride, 15% PEG 6000.
Resolution 2.78 Å R-free 0.248
8GON SARS-CoV-2 specific private TCR RLQ7 in complex with RLQ-T1006I-HLA-A2 Deposited 2022-08-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.1 M Tris-HCl pH 8.5, 15% PEG 6000
Resolution 2.60 Å R-free 0.253
8GVB The complex between public TCR TD08 and HLA-A24 bound to HIV-1 Nef138-8 peptide Deposited 2022-09-14 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.06 M divalent ions (MgCl2, CaCl2), 0.1 M Tris (pH 8.5), 0.1 M Bicine (pH 8.5)
Resolution 3.20 Å R-free 0.321
8GVG The complex between public TCR TD08 and HLA-A24 bound to HIV-1 Nef138-8 (2F) peptide Deposited 2022-09-15 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2 M Sodium sulfate, 0.1 M Bis-Tris Propane (pH 7.5), 20% PEG 3350
Resolution 3.37 Å R-free 0.320
8GVI The complex between H25-11 TCR and HLA-A24 bound to HIV-1 Nef138-8 peptide Deposited 2022-09-15 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Potassium chloride, 0.1 M tris (pH 8.0), 15% PEG2000 MME
Resolution 3.30 Å R-free 0.314
8HN4 Complex structure of HLA2402 with recognizing SARS-CoV-2 epitope QYIKWPWYI Deposited 2022-12-07 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；287 K；30% PEG 4000, 0.2 M Sodium acetate, and 0.1 M Tris-HCl pH8.5
Resolution 2.85 Å R-free 0.251
8I5C Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK) Deposited 2023-01-24 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；1.0 M Ammonium citrate tribasic pH 7.0, 0.1 M BIS-TRIS propane pH 7.0
Resolution 3.34 Å R-free 0.258
8I5C Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK) Deposited 2023-01-24 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 10 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain u 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；1.0 M Ammonium citrate tribasic pH 7.0, 0.1 M BIS-TRIS propane pH 7.0
Resolution 3.34 Å R-free 0.258
8I5C Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK) Deposited 2023-01-24 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；1.0 M Ammonium citrate tribasic pH 7.0, 0.1 M BIS-TRIS propane pH 7.0
Resolution 3.34 Å R-free 0.258
8I5C Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK) Deposited 2023-01-24 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；1.0 M Ammonium citrate tribasic pH 7.0, 0.1 M BIS-TRIS propane pH 7.0
Resolution 3.34 Å R-free 0.258
8I5C Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK) Deposited 2023-01-24 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain Q 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；1.0 M Ammonium citrate tribasic pH 7.0, 0.1 M BIS-TRIS propane pH 7.0
Resolution 3.34 Å R-free 0.258
8I5C Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK) Deposited 2023-01-24 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain V 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；1.0 M Ammonium citrate tribasic pH 7.0, 0.1 M BIS-TRIS propane pH 7.0
Resolution 3.34 Å R-free 0.258
8I5C Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK) Deposited 2023-01-24 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain a 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；1.0 M Ammonium citrate tribasic pH 7.0, 0.1 M BIS-TRIS propane pH 7.0
Resolution 3.34 Å R-free 0.258
8I5C Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK) Deposited 2023-01-24 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 7 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain f 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；1.0 M Ammonium citrate tribasic pH 7.0, 0.1 M BIS-TRIS propane pH 7.0
Resolution 3.34 Å R-free 0.258
8I5C Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK) Deposited 2023-01-24 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 8 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain k 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；1.0 M Ammonium citrate tribasic pH 7.0, 0.1 M BIS-TRIS propane pH 7.0
Resolution 3.34 Å R-free 0.258
8I5C Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK) Deposited 2023-01-24 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 9 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain p 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；1.0 M Ammonium citrate tribasic pH 7.0, 0.1 M BIS-TRIS propane pH 7.0
Resolution 3.34 Å R-free 0.258
8I5D Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK) Deposited 2023-01-25 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；0.1 M HEPES pH 7.5, 10% w/v PEG 8000/ 8% v/v Ethylene glycol.
Resolution 3.30 Å R-free 0.256
8I5E Crystal structure of HLA-A*11:01 in complex with KRAS peptide (VVGAGGVGK) Deposited 2023-01-25 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain L 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；0.1 M Tris. 8.0. 25% v/v PEG 350 MME.
Resolution 2.20 Å R-free 0.235
8ISN HLA-A24 in complex with modified 9mer WT1 peptide Deposited 2023-03-21 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Ammonium tartrate dibasic, 20 % (w/v) PEG 3350
Resolution 2.48 Å R-free 0.258
8ISN HLA-A24 in complex with modified 9mer WT1 peptide Deposited 2023-03-21 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Ammonium tartrate dibasic, 20 % (w/v) PEG 3350
Resolution 2.48 Å R-free 0.258
8K4V Crystal structure of HLA-A*11:01 in complex with KRAS G12R peptide (VVVGARGVGK) Deposited 2023-07-20 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 3.10 Å R-free 0.347
8K4V Crystal structure of HLA-A*11:01 in complex with KRAS G12R peptide (VVVGARGVGK) Deposited 2023-07-20 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 3.10 Å R-free 0.347
8K4V Crystal structure of HLA-A*11:01 in complex with KRAS G12R peptide (VVVGARGVGK) Deposited 2023-07-20 Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 3.10 Å R-free 0.347
8K4V Crystal structure of HLA-A*11:01 in complex with KRAS G12R peptide (VVVGARGVGK) Deposited 2023-07-20 Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain K 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 3.10 Å R-free 0.347
8K50 Crystal structure of HLA-A*11:01 in complex with KRAS G12V peptide (VVVGARGVGK) Deposited 2023-07-20 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 2.80 Å R-free 0.281
8K50 Crystal structure of HLA-A*11:01 in complex with KRAS G12V peptide (VVVGARGVGK) Deposited 2023-07-20 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 2.80 Å R-free 0.281
8K50 Crystal structure of HLA-A*11:01 in complex with KRAS G12V peptide (VVVGARGVGK) Deposited 2023-07-20 Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 2.80 Å R-free 0.281
8K50 Crystal structure of HLA-A*11:01 in complex with KRAS G12V peptide (VVVGARGVGK) Deposited 2023-07-20 Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain K 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 2.80 Å R-free 0.281
8QFY Crystal structure of high affinity TCR in complex with pHLA harbouring bacterial peptide Deposited 2023-09-05 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain BBB 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.2 M calcium acetate, 0.1 M imidazole pH 8.0, 10% PEG 8000
Resolution 2.33 Å R-free 0.289
8QFY Crystal structure of high affinity TCR in complex with pHLA harbouring bacterial peptide Deposited 2023-09-05 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain GGG 21–119（99 aa）
Not recorded ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.2 M calcium acetate, 0.1 M imidazole pH 8.0, 10% PEG 8000
Resolution 2.33 Å R-free 0.289
8RBU Crystal structure of HLA-A*11:01 in complex with SVLNDILARL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984) Deposited 2023-12-05 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 8 CL CHLORIDE ION × 2 SO4 SULFATE ION × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；25% PEG3350, 0.2M NaCl and 0.1M Tris HCl pH8.5
Resolution 2.70 Å R-free 0.252
8RBV SARS-CoV-2 Spike-derived peptide S976-984 S982A mutant (VLNDILARL) presented by HLA-A*02:01 Deposited 2023-12-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded ACT ACETATE ION × 2 EDO 1,2-ETHANEDIOL × 2 CD CADMIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；13% P3350; 0.1M NaFlu; 2% EG; 1 mM CdCl2
Resolution 1.80 Å R-free 0.211
8RCV Crystal structure of HLA B*13:01 in complex with SVLNDIFSRL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984) Deposited 2023-12-07 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 3 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；14% PEG3350 and 0.1M NaFormate
Resolution 1.65 Å R-free 0.201
8REF Crystal structure of HLA B*13:01 in complex with SVLNDILARL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984) Deposited 2023-12-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded PEG DI(HYDROXYETHYL)ETHER × 3 EDO 1,2-ETHANEDIOL × 4 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG3350 and 2% EG
Resolution 1.90 Å R-free 0.221
8RH6 Crystal structure of HLA-A*11:01 in complex with SVLNDILSRL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984) Deposited 2023-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 9 PDB declaration: nonameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；25% PEG3350, 0.2M NaCl and 0.1M Tris HCl pH8.5
Resolution 3.32 Å R-free 0.251
8RHQ Crystal structure of HLA-A*11:01 in complex with SVLNDIFSRL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984) Deposited 2023-12-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 9 PDB declaration: nonameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 17 NA SODIUM ION × 3 PEG DI(HYDROXYETHYL)ETHER × 1 CL CHLORIDE ION × 3 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG3350, 0.2M Sodium acetate tihydrate pH 7.0
Resolution 2.00 Å R-free 0.244
8RJ5 P1-15 T-cell Receptor bound to HLA A*2402-NF9 pMHC complex Deposited 2023-12-20 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；di-Sodium malonate, 0.1M HEPES pH7, 0.1M Poly(acrylic acid sodium salt) 2,100, 30% w/v
Resolution 3.02 Å R-free 0.260
8RJ5 P1-15 T-cell Receptor bound to HLA A*2402-NF9 pMHC complex Deposited 2023-12-20 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；di-Sodium malonate, 0.1M HEPES pH7, 0.1M Poly(acrylic acid sodium salt) 2,100, 30% w/v
Resolution 3.02 Å R-free 0.260
8RJH HLA A*2402-NF9_6F pMHC complex Deposited 2023-12-21 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；Glycerol 15% v/v Polyethylene Glycol 4,000, 20% w/v MES, 0.1 M, pH7
Resolution 2.60 Å R-free 0.264
8RJH HLA A*2402-NF9_6F pMHC complex Deposited 2023-12-21 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；Glycerol 15% v/v Polyethylene Glycol 4,000, 20% w/v MES, 0.1 M, pH7
Resolution 2.60 Å R-free 0.264
8RJH HLA A*2402-NF9_6F pMHC complex Deposited 2023-12-21 Different construct Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；Glycerol 15% v/v Polyethylene Glycol 4,000, 20% w/v MES, 0.1 M, pH7
Resolution 2.60 Å R-free 0.264
8RJH HLA A*2402-NF9_6F pMHC complex Deposited 2023-12-21 Different construct Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain K 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；Glycerol 15% v/v Polyethylene Glycol 4,000, 20% w/v MES, 0.1 M, pH7
Resolution 2.60 Å R-free 0.264
8RJH HLA A*2402-NF9_6F pMHC complex Deposited 2023-12-21 Different construct Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain N 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；Glycerol 15% v/v Polyethylene Glycol 4,000, 20% w/v MES, 0.1 M, pH7
Resolution 2.60 Å R-free 0.264
8RJH HLA A*2402-NF9_6F pMHC complex Deposited 2023-12-21 Different construct Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain Q 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；Glycerol 15% v/v Polyethylene Glycol 4,000, 20% w/v MES, 0.1 M, pH7
Resolution 2.60 Å R-free 0.264
8RJI HLA A*2402-NF9_5R pMHC complex Deposited 2023-12-21 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；Glycerol 15% v/v Polyethylene glycol 4000, 20% w/v Sodium Cacodylate, 0.1 M, pH 6
Resolution 2.30 Å R-free 0.265
8RJI HLA A*2402-NF9_5R pMHC complex Deposited 2023-12-21 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；Glycerol 15% v/v Polyethylene glycol 4000, 20% w/v Sodium Cacodylate, 0.1 M, pH 6
Resolution 2.30 Å R-free 0.265
8RJI HLA A*2402-NF9_5R pMHC complex Deposited 2023-12-21 Different construct Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；Glycerol 15% v/v Polyethylene glycol 4000, 20% w/v Sodium Cacodylate, 0.1 M, pH 6
Resolution 2.30 Å R-free 0.265
8RJI HLA A*2402-NF9_5R pMHC complex Deposited 2023-12-21 Different construct Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain K 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；Glycerol 15% v/v Polyethylene glycol 4000, 20% w/v Sodium Cacodylate, 0.1 M, pH 6
Resolution 2.30 Å R-free 0.265
8RLT TCR in complex with HLA-E*01:03 bound to HBV envelope 371-379 index peptide Deposited 2024-01-03 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；20% (w/v) PEG 3350, 100 mM BIS-TRIS propane pH 8.5, 200 mM sodium sulfate
Resolution 2.25 Å R-free 0.252
8RLT TCR in complex with HLA-E*01:03 bound to HBV envelope 371-379 index peptide Deposited 2024-01-03 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；20% (w/v) PEG 3350, 100 mM BIS-TRIS propane pH 8.5, 200 mM sodium sulfate
Resolution 2.25 Å R-free 0.252
8RLU TCR in complex with HLA-E*01:03 bound to HBV envelope 371-379 S3N peptide Deposited 2024-01-03 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；20% (w/v) PEG 3350, 100 mM BIS-TRIS propane pH 8.5, 200 mM sodium sulfate
Resolution 2.35 Å R-free 0.261
8RLU TCR in complex with HLA-E*01:03 bound to HBV envelope 371-379 S3N peptide Deposited 2024-01-03 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；20% (w/v) PEG 3350, 100 mM BIS-TRIS propane pH 8.5, 200 mM sodium sulfate
Resolution 2.35 Å R-free 0.261
8RLV TCR in complex with HLA-E*01:03 bound to HBV envelope 371-379 L6I peptide Deposited 2024-01-03 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；20% (w/v) PEG 3350, 100 mM BIS-TRIS propane pH 8.5, 200 mM sodium sulfate Collection Temp: 100
Resolution 2.61 Å R-free 0.251
8RLV TCR in complex with HLA-E*01:03 bound to HBV envelope 371-379 L6I peptide Deposited 2024-01-03 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；20% (w/v) PEG 3350, 100 mM BIS-TRIS propane pH 8.5, 200 mM sodium sulfate Collection Temp: 100
Resolution 2.61 Å R-free 0.251
8RNE HLA-E*01:03 in complex with SARS-CoV-2 Nsp13 peptide, VMPLSAPTL Deposited 2024-01-09 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.15 M potassium bromide, 20% w/v of PEG 2000 MME
Resolution 1.71 Å R-free 0.243
8RNE HLA-E*01:03 in complex with SARS-CoV-2 Nsp13 peptide, VMPLSAPTL Deposited 2024-01-09 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.15 M potassium bromide, 20% w/v of PEG 2000 MME
Resolution 1.71 Å R-free 0.243
8RNE HLA-E*01:03 in complex with SARS-CoV-2 Nsp13 peptide, VMPLSAPTL Deposited 2024-01-09 Different construct Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.15 M potassium bromide, 20% w/v of PEG 2000 MME
Resolution 1.71 Å R-free 0.243
8RNF HLA-E*01:03 in complex with SARS-CoV-2 Omicron Nsp13 peptide, VIPLSAPTL Deposited 2024-01-09 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.15 M DL malic acid and 20% w/v of PEG3350
Resolution 1.87 Å R-free 0.220
8RNF HLA-E*01:03 in complex with SARS-CoV-2 Omicron Nsp13 peptide, VIPLSAPTL Deposited 2024-01-09 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.15 M DL malic acid and 20% w/v of PEG3350
Resolution 1.87 Å R-free 0.220
8RNF HLA-E*01:03 in complex with SARS-CoV-2 Omicron Nsp13 peptide, VIPLSAPTL Deposited 2024-01-09 Different construct Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.15 M DL malic acid and 20% w/v of PEG3350
Resolution 1.87 Å R-free 0.220
8RNG Crystal structure of HLA B*18:01 in complex with TEVETYVL, an 8-mer epitope from Influenza A Deposited 2024-01-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 1 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Potassium Nitrate, 20% w/v PEG 3350 at pH 6.5
Resolution 1.45 Å R-free 0.203
8RNH Crystal structure of HLA B*18:01 in complex with EEIEITTHF, an 9-mer epitope from Influenza A Deposited 2024-01-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Lithium Acetate, 20% w/v PEG 3350, and 10 mM MgCl2
Resolution 1.60 Å R-free 0.234
8RNI HLA-A*03:01 with KRAS-G12V-10mer Deposited 2024-01-10 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1M ammonium citrate tribasic pH7, 12% PEG 3350
Resolution 2.49 Å R-free 0.276
8ROO Crystal structure of HLA B*18:01 in complex with YERMCNIL, an 8-mer epitope from Influenza A Deposited 2024-01-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 9 MG MAGNESIUM ION × 1 K POTASSIUM ION × 3 SO4 SULFATE ION × 1 NO3 NITRATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Potassium Nitrate, 20% w/v PEG 3350 at pH 6.5
Resolution 1.40 Å R-free 0.189
8ROP Crystal structure of HLA B*18:01 in complex with QEIRTFSF, an 8-mer epitope from Influenza A Deposited 2024-01-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 3 CL CHLORIDE ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Lithium Acetate, 20% w/v PEG 3350, and 10 mM MgCl2
Resolution 1.15 Å R-free 0.168
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain I 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain N 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain S 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain X 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain c 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 7 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain h 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 8 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain m 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RYM Structure of S2 TCR in complex with HLA-A*03:01 bound to ELFSYLIEK peptide Deposited 2024-02-09 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；50 mM HEPES pH 7.0, 13 % w/v PEG 8000
Resolution 2.34 Å R-free 0.272
8RYN Structure of S2 TCR in complex with HLA-A*11:01 bound to ELFSYLIEK peptide Deposited 2024-02-09 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Amino acids (0.02 M Sodium Glutamate; 0.02 M Alanine; 0.02 M Glycine; 0.02 M Lysine hydrochloride; 0.02 M Serine), 0.1 M Buffer system 1 (Imidazole; MES monohydrate) pH 6.5, 50 % Precipitant mix 2 (20% v/v Ethylene glycol; 10 % w/v PEG 8000)
Resolution 1.97 Å R-free 0.251
8RYO Structure of S2-198 TCR in complex with HLA-A*03:01 bound to ELFSYLIEK peptide Deposited 2024-02-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded TOE 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL × 1 EDO 1,2-ETHANEDIOL × 2 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；50 mM MOPS pH 6.7, 14 % w/v PEG 8000
Resolution 2.05 Å R-free 0.244
8RYP Structure of S8 TCR in complex with HLA-A*03:01 bound to ELFSYLIEK peptide Deposited 2024-02-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；50 mM Magnesium acetate, 20 mM MOPS pH 7.2, 50 mM Sodium chloride, 12 % w/v PEG 8000
Resolution 1.81 Å R-free 0.241
8RYQ Structure of S8-9F3 TCR in complex with HLA-A*11:01 bound to ELFSYLIEK peptide Deposited 2024-02-09 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；150 mM Magnesium acetate, 20 mM MOPS pH 7.2, 12 % w/v PEG 8000
Resolution 2.49 Å R-free 0.283
8RYQ Structure of S8-9F3 TCR in complex with HLA-A*11:01 bound to ELFSYLIEK peptide Deposited 2024-02-09 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；150 mM Magnesium acetate, 20 mM MOPS pH 7.2, 12 % w/v PEG 8000
Resolution 2.49 Å R-free 0.283
8SBK Structure of HLA-A*24:02 in complex with peptide, LYLPVRVLI (ATG2A). Deposited 2023-04-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 2 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；294 K；2 M Ammonium sulfate, 0.1 M Sodium cacodylate pH 6.5
Resolution 1.80 Å R-free 0.219
8SBL Structure of HLA-A*24:02 in complex with peptide, LYLPVRVLI Deposited 2023-04-03 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；0.05M MES monohydrate pH 6.5, 22.5% Polyethylene Glycol w/v 3350
Resolution 3.00 Å R-free 0.270
8SBL Structure of HLA-A*24:02 in complex with peptide, LYLPVRVLI Deposited 2023-04-03 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；0.05M MES monohydrate pH 6.5, 22.5% Polyethylene Glycol w/v 3350
Resolution 3.00 Å R-free 0.270
8SBL Structure of HLA-A*24:02 in complex with peptide, LYLPVRVLI Deposited 2023-04-03 Different construct Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；0.05M MES monohydrate pH 6.5, 22.5% Polyethylene Glycol w/v 3350
Resolution 3.00 Å R-free 0.270
8SBL Structure of HLA-A*24:02 in complex with peptide, LYLPVRVLI Deposited 2023-04-03 Different construct Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain K 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；0.05M MES monohydrate pH 6.5, 22.5% Polyethylene Glycol w/v 3350
Resolution 3.00 Å R-free 0.270
8SGB Crystal Structure of CD1d-lipid complexed with Beta-2-Microglobulin, TCR Alpha-Chain and TCR Beta-Chain Deposited 2023-04-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 FO4 sphingomyelin × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350, sodium citrate, citrate-bis-Tris pH7
Resolution 2.80 Å R-free 0.249
8SGM Crystal Structure of CD1d-lipid complexed with Beta-2-Microglobulin, TCR Alpha-Chain and TCR Beta-Chain Deposited 2023-04-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 GOL GLYCEROL × 1 A1AHF N-[(2S)-3-oxo-1-(beta-L-talopyranosyloxy)octadecan-2-yl]docosanamide × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350, sodium citrate, citrate-bis-Tris pH7
Resolution 2.50 Å R-free 0.234
8SHI Valpha3S1 Vbeta13S1 HLA C 0602 VRSRRCLRL Deposited 2023-04-14 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；297 K；20% w/v polyethylene glycol 3350, 0.2M NaSO4.
Resolution 2.90 Å R-free 0.291
8SHI Valpha3S1 Vbeta13S1 HLA C 0602 VRSRRCLRL Deposited 2023-04-14 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；297 K；20% w/v polyethylene glycol 3350, 0.2M NaSO4.
Resolution 2.90 Å R-free 0.291
8SOS Human CD1d presenting sphingomyelin C24:1 in complex with VHH nanobody 1D17 Deposited 2023-04-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded FO4 sphingomyelin × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；12% PEG8000, 0.05 M zinc acetate, 0.05 M MES, pH 6.2
Resolution 2.33 Å R-free 0.230
8T6M Human leukocyte antigen bound by two alloreactive antibody Fabs Deposited 2023-06-16 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 7 PDB declaration: heptameric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.14 Å
8T7R Crystal structure of human leukocyte antigen A*0101 in complex with the Fab of alloreactive antibody E07 Deposited 2023-06-21 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 50 PDB declaration: 50-meric
Chain D 21–119（99 aa）
Chain H 21–119（99 aa）
Chain L 21–119（99 aa）
Chain P 21–119（99 aa）
Chain T 21–119（99 aa）
Chain X 21–119（99 aa）
Chain b 21–119（99 aa）
Chain f 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；294 K；sodium citrate tribasic dihydrate, sodium cacodylate
Resolution 3.84 Å R-free 0.263
8TBV Human Class I MHC HLA-A2 in complex with sorting nexin 24 (127-135) neoantigen KLSHQLVLL Deposited 2023-06-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；Purified protein complexes were concentrated to 7.4 mg/mL before crystallization. The crystals were grown in 12.5% PEG 4000 and 0.1 M MES (pH 6.5) via hanging drop vapor diffusion. Crystals were harvested and cryoprotected in 8% glycerol/92% mother liquor and immediately stored in liquid nitrogen
Resolution 2.64 Å R-free 0.274
8TBV Human Class I MHC HLA-A2 in complex with sorting nexin 24 (127-135) neoantigen KLSHQLVLL Deposited 2023-06-29 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；Purified protein complexes were concentrated to 7.4 mg/mL before crystallization. The crystals were grown in 12.5% PEG 4000 and 0.1 M MES (pH 6.5) via hanging drop vapor diffusion. Crystals were harvested and cryoprotected in 8% glycerol/92% mother liquor and immediately stored in liquid nitrogen
Resolution 2.64 Å R-free 0.274
8TBW Human Class I MHC HLA-A2 in complex with sorting nexin 24 (127-135) peptide KLSHQPVLL Deposited 2023-06-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NO3 NITRATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；Purified protein complexes were concentrated to 7.4 mg/mL before crystallization. The crystals were grown in 12.5% PEG 4000 and 0.1 M MES (pH 6.5) via hanging drop vapor diffusion. Crystals were harvested and cryoprotected in 8% glycerol/92% mother liquor and immediately stored in liquid nitrogen
Resolution 2.08 Å R-free 0.205
8TBW Human Class I MHC HLA-A2 in complex with sorting nexin 24 (127-135) peptide KLSHQPVLL Deposited 2023-06-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NO3 NITRATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；Purified protein complexes were concentrated to 7.4 mg/mL before crystallization. The crystals were grown in 12.5% PEG 4000 and 0.1 M MES (pH 6.5) via hanging drop vapor diffusion. Crystals were harvested and cryoprotected in 8% glycerol/92% mother liquor and immediately stored in liquid nitrogen
Resolution 2.08 Å R-free 0.205
8TMU HLA-B*73:01 bound to a 10mer peptide in complex with KIR2DL2 Deposited 2023-07-31 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 4 PEG DI(HYDROXYETHYL)ETHER × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；Tris-HCl pH 8.75 and 20% PEG 8000
Resolution 2.90 Å R-free 0.258
8TQ5 Crystal structure of Fab DX17 in complex with MHC-I (HLA-B*44:05) Deposited 2023-08-06 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；12% PEG20000, 0.1 M MES, pH 6.5
Resolution 2.30 Å R-free 0.234
8TQ6 Crystal structure of Fab.B1.23.2 in complex with MHC-I (HLA-B*44:05) Deposited 2023-08-06 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.8；291 K；16% PEG3350, 0.04 M sodium citrate, 0.06 M Bis-Tris, pH 8.8
Resolution 3.20 Å R-free 0.268
8TQ6 Crystal structure of Fab.B1.23.2 in complex with MHC-I (HLA-B*44:05) Deposited 2023-08-06 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.8；291 K；16% PEG3350, 0.04 M sodium citrate, 0.06 M Bis-Tris, pH 8.8
Resolution 3.20 Å R-free 0.268
8TUB HLA B7:02 with HPNGYKSLSTL Deposited 2023-08-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 3 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG
Resolution 2.40 Å R-free 0.238
8TUB HLA B7:02 with HPNGYKSLSTL Deposited 2023-08-16 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG
Resolution 2.40 Å R-free 0.238
8TUB HLA B7:02 with HPNGYKSLSTL Deposited 2023-08-16 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG
Resolution 2.40 Å R-free 0.238
8TUB HLA B7:02 with HPNGYKSLSTL Deposited 2023-08-16 Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain I 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG
Resolution 2.40 Å R-free 0.238
8TUH HLA B7:02 with RPIIRPATL Deposited 2023-08-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG
Resolution 2.20 Å R-free 0.245
8U9G Human Class I MHC HLA-A2 bound to sorting nexin 24 (127-135) neoantigen KLSHQLVLL Deposited 2023-09-19 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；Purified protein complexes were concentrated to 7.4 mg/mL before crystallization. The crystals were grown in 12.5% PEG 4000 and 0.1 M MES (pH 6.5) via hanging drop vapor diffusion. Crystals were harvested and cryoprotected in 8% glycerol/92% mother liquor and immediately stored in liquid nitrogen
Resolution 2.87 Å R-free 0.245
8U9G Human Class I MHC HLA-A2 bound to sorting nexin 24 (127-135) neoantigen KLSHQLVLL Deposited 2023-09-19 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；Purified protein complexes were concentrated to 7.4 mg/mL before crystallization. The crystals were grown in 12.5% PEG 4000 and 0.1 M MES (pH 6.5) via hanging drop vapor diffusion. Crystals were harvested and cryoprotected in 8% glycerol/92% mother liquor and immediately stored in liquid nitrogen
Resolution 2.87 Å R-free 0.245
8UDR Structure of the P1B7 antibody bound to the Sotorasib-modified KRas G12C peptide presented by the A*03:01 MHC I complex Deposited 2023-09-28 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded MOV AMG 510 (bound form) × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；20mM HEPES ph 7.5, 100 mM KCl
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.10 Å
8UTC HUMAN LEUKOCYTE ANTIGEN B*07:02 IN COMPLEX WITH SARS-COV2 EPITOPE N105-113 (Y111F mutant) Deposited 2023-10-30 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded PGE TRIETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；289 K；0.1 M HEPES-NaOH, pH 7.5, 25% PEG 3350
Resolution 2.40 Å R-free 0.240
8UTC HUMAN LEUKOCYTE ANTIGEN B*07:02 IN COMPLEX WITH SARS-COV2 EPITOPE N105-113 (Y111F mutant) Deposited 2023-10-30 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；289 K；0.1 M HEPES-NaOH, pH 7.5, 25% PEG 3350
Resolution 2.40 Å R-free 0.240
8V4Z Crystal structure of a HLA-B*35:01-NP7 with D1 TCR Deposited 2023-11-29 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Mutation：M1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG
Resolution 2.40 Å R-free 0.252
8V4Z Crystal structure of a HLA-B*35:01-NP7 with D1 TCR Deposited 2023-11-29 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Mutation：M1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG
Resolution 2.40 Å R-free 0.252
8V4Z Crystal structure of a HLA-B*35:01-NP7 with D1 TCR Deposited 2023-11-29 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa）
Mutation：M1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG
Resolution 2.40 Å R-free 0.252
8V4Z Crystal structure of a HLA-B*35:01-NP7 with D1 TCR Deposited 2023-11-29 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain Q 21–119（99 aa）
Mutation：M1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG
Resolution 2.40 Å R-free 0.252
8V50 Crystal structure of a HLA-B*35:01-NP6 with D1 TCR Deposited 2023-11-30 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Mutation：artificial starting M No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG
Resolution 2.65 Å R-free 0.265
8V50 Crystal structure of a HLA-B*35:01-NP6 with D1 TCR Deposited 2023-11-30 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Mutation：artificial starting M No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG
Resolution 2.65 Å R-free 0.265
8V50 Crystal structure of a HLA-B*35:01-NP6 with D1 TCR Deposited 2023-11-30 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa）
Mutation：artificial starting M No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG
Resolution 2.65 Å R-free 0.265
8V50 Crystal structure of a HLA-B*35:01-NP6 with D1 TCR Deposited 2023-11-30 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain Q 21–119（99 aa）
Mutation：artificial starting M No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG
Resolution 2.65 Å R-free 0.265
8V51 Crystal structure of a HLA-B*35:01-NP10 with D1 TCR Deposited 2023-11-30 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 NA SODIUM ION × 1 PO4 PHOSPHATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG
Resolution 2.10 Å R-free 0.244
8V8Q HUMAN LEUKOCYTE ANTIGEN B*07:02 IN COMPLEX WITH MERS-COV EPITOPE N95-103 (A95S mutant) Deposited 2023-12-05 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded BCT BICARBONATE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；289 K；0.1 M HEPES: NaOH, pH 7.5, 25 % PEG 3350
Resolution 1.85 Å R-free 0.210
8VCL Crystal structure of HLA-A*03:01 in complex with a mutant PIK3CA peptide Deposited 2023-12-14 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded FMT FORMIC ACID × 4 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277.15 K；12% w/v Polyethylene glycol 3,350, 4% v/v TacsimateTM, pH 6.0
Resolution 2.40 Å R-free 0.230
8VJZ HLA-A*03:01 with WT KRAS-10mer Deposited 2024-01-08 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.1M ammonium citrate tribasic pH7, 12% PEG 3350
Resolution 1.90 Å R-free 0.214
8VR9 Structure of a synthetic antibody in complex with a class I MHC presenting a hapten-peptide conjugate Deposited 2024-01-20 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded MOV AMG 510 (bound form) × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.06 Å
8VRA Structure of a synthetic antibody in complex with a class I MHC presenting a hapten-peptide conjugate Deposited 2024-01-20 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded MOV AMG 510 (bound form) × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.12 Å
8VRB Structure of a synthetic antibody in complex with a class I MHC presenting a hapten-peptide conjugate Deposited 2024-01-20 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 20–119（100 aa） Fragment：UNP residues 20-119
Not recorded MOV AMG 510 (bound form) × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.25 Å
8WTE Crystal structure of TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) Deposited 2023-10-18 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain I 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；289.15 K；20% (w/v) PEG 3350 0.2 M sodium citrate.
Resolution 2.17 Å R-free 0.216
8WTE Crystal structure of TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) Deposited 2023-10-18 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain F 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；289.15 K；20% (w/v) PEG 3350 0.2 M sodium citrate.
Resolution 2.17 Å R-free 0.216
8WUL Crystal structure of affinity enhanced TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) Deposited 2023-10-20 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain M 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；289.15 K；20% (w/v) PEG 3350, 0.2M ammonium citrate tribasic at pH 7.0
Resolution 2.36 Å R-free 0.235
8WUL Crystal structure of affinity enhanced TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) Deposited 2023-10-20 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain J 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；289.15 K；20% (w/v) PEG 3350, 0.2M ammonium citrate tribasic at pH 7.0
Resolution 2.36 Å R-free 0.235
8WUL Crystal structure of affinity enhanced TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) Deposited 2023-10-20 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain P 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；289.15 K；20% (w/v) PEG 3350, 0.2M ammonium citrate tribasic at pH 7.0
Resolution 2.36 Å R-free 0.235
8WUL Crystal structure of affinity enhanced TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) Deposited 2023-10-20 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain S 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；289.15 K；20% (w/v) PEG 3350, 0.2M ammonium citrate tribasic at pH 7.0
Resolution 2.36 Å R-free 0.235
8XES The structure of HLA-A/L1-1 Deposited 2023-12-12 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.1M Bis-Tris, 20%w/v Polyethylene glycol monomethyl ether 5000
Resolution 1.78 Å R-free 0.235
8XFZ The structure of HLA-A/L1-2 Deposited 2023-12-14 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.1M Imidazole, 20%w/v PEG 6000
Resolution 2.32 Å R-free 0.251
8XG2 The structure of HLA-A/Pep14 Deposited 2023-12-14 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.1M Bis-Tris, 20%w/v Polyethylene glycol monomethyl ether 5000
Resolution 1.84 Å R-free 0.230
8XKC The structure of HLA-A/Pep16 Deposited 2023-12-23 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.1M Imidazole, 20%w/v PEG 6000
Resolution 2.18 Å R-free 0.291
8XKE The structure of HLA-A/14-3-D Deposited 2023-12-23 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.1M Bis-Tris, 20%w/v Polyethylene glycol monomethyl ether 5000
Resolution 1.92 Å R-free 0.251
8Y6X Crystal structure of ternary complex of human MR1, ligand #4, and MAIT-TCR A-F7 Deposited 2024-02-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded A1LXU 5-(2-oxidanylidenepropyl)-8-[(2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)pentyl]-1,7-dihydropteridine-2,4,6-trione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.2；293 K；0.1M Tris (pH 8.2), 20mM Magnesium chloride, 22% (v/v) polyacrylic acid sodium salt 5,100
Resolution 3.40 Å R-free 0.208
8YE4 The complex of TCR NYN-I and HLA-A24 bound to SARS-CoV-2 Spike448-456 peptide NYNYLYRLF Deposited 2024-02-21 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；287 K；8% Tacsimate 7.0, 20% PEG3350
Resolution 3.20 Å R-free 0.310
8YE4 The complex of TCR NYN-I and HLA-A24 bound to SARS-CoV-2 Spike448-456 peptide NYNYLYRLF Deposited 2024-02-21 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；287 K；8% Tacsimate 7.0, 20% PEG3350
Resolution 3.20 Å R-free 0.310
8YIV N17.1.2 recognition of NRAS neoantigens Deposited 2024-02-29 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 8 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；10mg/ml, 8% TacsimateTM pH7.0, 20% PEG4K
Resolution 2.10 Å R-free 0.226
8YJ2 N17.1.2 recognition of NRAS neoantigens Deposited 2024-02-29 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；10mg/ml, 0.2 M NH4 citrate tribasic, 16% PEG3350, pH 7.4
Resolution 2.26 Å R-free 0.229
8YZR The structure of HLA-A*2402 complex with peptide from SARS-CoV-2 S448-456 NYNYLYRLL(EG.5.1) Deposited 2024-04-08 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M MES monohydrate pH 6.0, 20% (w/v) Polyethylene glycol 2,000
Resolution 1.80 Å R-free 0.262
8YZW The structure of HLA-A*2402 complex with peptide from SARS-CoV-2 S448-456 NYDYWYRLF(BA.2.86) Deposited 2024-04-08 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；0.1 M Sodium citrate tribasic dihydrate , 18% (w/v) Polyethylene glycol 3350
Resolution 2.36 Å R-free 0.278
8YZW The structure of HLA-A*2402 complex with peptide from SARS-CoV-2 S448-456 NYDYWYRLF(BA.2.86) Deposited 2024-04-08 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；0.1 M Sodium citrate tribasic dihydrate , 18% (w/v) Polyethylene glycol 3350
Resolution 2.36 Å R-free 0.278
8YZZ The structure of HLA-A*2402 complex with peptide from SARS-CoV-2 S448-456 NYNYLYRLF(Prototype) Deposited 2024-04-08 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；0.1M Sodium citrate tribasic dihydrate ,18%w/v Polyethylene glycol 3350
Resolution 1.88 Å R-free 0.224
8Z05 The structure of HLA-A*0201 complex with peptide from SARS-CoV-2 N222-230 LLLDRLNKL(BA.2.86/JN.1) Deposited 2024-04-09 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M sodium citrate tribasic dihydrate pH 5.5, 18% (w/v) Polyethylene glycol 3,350
Resolution 1.96 Å R-free 0.275
8Z06 The structure of HLA-A*2402 complex with peptide from SARS-CoV-2 S448-456 NYDYWYRSF(JN.1) Deposited 2024-04-09 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.1 M MES monohydrate pH 6.0, 14% (w/v) Polyethylene glycol 4,000
Resolution 2.39 Å R-free 0.232
8Z07 The structure of HLA-A*2402 complex with peptide from SARS-CoV-2 S448-456 NYNYRYRLF(Delta/BA.5.2) Deposited 2024-04-09 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.1 M MES monohydrate pH 6.0, 14% (w/v) Polyethylene glycol 4,000
Resolution 2.70 Å R-free 0.289
8Z08 The structure of HLA-A*2402 complex with peptide from SARS-CoV-2 S448-456 NYNYQYRLF(BA.2.12.1) Deposited 2024-04-09 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.1M Bis-Tris, 20%w/v Polyethylene glycol monomethyl ether 5000
Resolution 2.01 Å R-free 0.233
8ZOX 3D structure of Y-50 TCR-TMM-CD1b ternary complex Deposited 2024-05-29 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded 6UL TETRACOSYL PALMITATE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 GLC alpha-D-glucopyranose × 1 A1L2B [(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl (2R,3R)-3-oxidanyl-2-tetradecyl-octadecanoate × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.18 Å
8ZV9 Complex structure of HLA2402 with recognizing SARS-CoV-2 Y453F epitope NYNYLFRLF Deposited 2024-06-11 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；287 K；20% PEG8000, 0.1 M HEPES 7.5
Resolution 2.60 Å R-free 0.289
8ZV9 Complex structure of HLA2402 with recognizing SARS-CoV-2 Y453F epitope NYNYLFRLF Deposited 2024-06-11 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；287 K；20% PEG8000, 0.1 M HEPES 7.5
Resolution 2.60 Å R-free 0.289
8ZV9 Complex structure of HLA2402 with recognizing SARS-CoV-2 Y453F epitope NYNYLFRLF Deposited 2024-06-11 Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；287 K；20% PEG8000, 0.1 M HEPES 7.5
Resolution 2.60 Å R-free 0.289
9ASF Crystal structure of HLA-A*03:01 in complex with a wild-type PIK3CA peptide analogue (Trp-6 Bta) Deposited 2024-02-25 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；15% w/v Polyethylene glycol 6,000, 50 mM Potassium chloride; 10 mM Magnesium chloride
Resolution 1.77 Å R-free 0.237
9ASG Crystal structure of HLA-A*03:01 in complex with a mutant PIK3CA peptide analogue (Trp-6 Bta) Deposited 2024-02-25 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；15% w/v Polyethylene glycol 3,350, 150mM Cesium chloride
Resolution 2.03 Å R-free 0.238
9BL2 KIR3DL1*001 in complex with HLA-B*57:03 presenting the AW10 peptide Deposited 2024-04-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；294 K；18% PEG-3350, 2% tacsimate pH 5.0, 0.1 M tri-sodium citrate pH 5.6
Resolution 2.10 Å R-free 0.231
9BL3 KIR3DL1*114 in complex with HLA-B*57:03 presenting the AW10 peptide Deposited 2024-04-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；294 K；16% PEG 3350, 2% tacsimate pH 5.0, 0.1 M tri-sodium citrate pH 5.6
Resolution 2.00 Å R-free 0.229
9BL4 KIR3DL1*086 in complex with HLA-B*57:03 presenting the AW10 peptide Deposited 2024-04-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；294 K；16% PEG 3350, 2% tacsimate pH 5.0, 0.1 M tri-sodium citrate pH 5.6
Resolution 1.75 Å R-free 0.227
9BL5 KIR3DL1*001 in complex with HLA-A*24:02 presenting the TW9 peptide Deposited 2024-04-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；294 K；16% PEG-3350, 2% tacsimate pH 5.0, 0.1 M tri-sodium citrate pH 5.6
Resolution 2.00 Å R-free 0.231
9BL6 KIR3DL1*114 in complex with HLA-A*24:02 presenting the TW9 peptide Deposited 2024-04-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；294 K；14% PEG 3550, 2% tacsimate pH 5.0, 0.1 M tri-sodium citrate pH 5.6
Resolution 2.40 Å R-free 0.256
9BL9 KIR3DL1*114 in complex with HLA-A*24:02 presenting the NEF peptide Deposited 2024-04-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；294 K；14% PEG 3350, 2% tacsimate pH 5.0, 0.1 M tri-sodium citrate pH 5.6
Resolution 2.60 Å R-free 0.246
9BLA KIR3DL1*086 in complex with HLA-A*24:02 presenting the NEF peptide Deposited 2024-04-30 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；294 K；14% PEG 3350, 2% tacsimate pH 5.0, 0.1 M tri-sodium citrate pH 5.6
Resolution 3.00 Å R-free 0.248
9BTX Structure of human MAIT A-F7 TCR in complex with human MR1-3,4-dihydroxybenzaldehyde Deposited 2024-05-15 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 4 H6N Protocatechuic aldehyde × 1 ACT ACETATE ION × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；PEG3350, Na-acetate, BTP
Resolution 2.05 Å R-free 0.218
9BTX Structure of human MAIT A-F7 TCR in complex with human MR1-3,4-dihydroxybenzaldehyde Deposited 2024-05-15 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 2 H6N Protocatechuic aldehyde × 1 ACT ACETATE ION × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；PEG3350, Na-acetate, BTP
Resolution 2.05 Å R-free 0.218
9BTY Structure of human MAIT A-F7 TCR in complex with human MR1-veratraldehyde Deposited 2024-05-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded XIK 3,4-dimethoxybenzaldehyde × 2 ACT ACETATE ION × 1 GOL GLYCEROL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；PEG 3350, Na acetate, BTP
Resolution 2.85 Å R-free 0.223
9BTZ Structure of human MAIT A-F7 TCR in complex with human MR1-nicotinaldehyde Deposited 2024-05-15 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded XIE Nicotinaldehyde × 1 ACT ACETATE ION × 2 GOL GLYCEROL × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；PEG 3350, Na acetate, BTP
Resolution 3.00 Å R-free 0.255
9BTZ Structure of human MAIT A-F7 TCR in complex with human MR1-nicotinaldehyde Deposited 2024-05-15 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded XIE Nicotinaldehyde × 1 ACT ACETATE ION × 1 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；PEG 3350, Na acetate, BTP
Resolution 3.00 Å R-free 0.255
9BU0 Structure of human MAIT A-F7 TCR in complex with human MR1-salicylaldehyde Deposited 2024-05-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NK SALICYLALDEHYDE × 2 GOL GLYCEROL × 5 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；PEG 3350, Na acetate, BTP
Resolution 2.89 Å R-free 0.238
9BYS Structure of human MAIT BV28 TCR in complex with human MR1-5-OP-RU Deposited 2024-05-24 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain AAAD 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded Q87 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；295 K；PEG3350, Na-acetate, BTP
Resolution 3.10 Å R-free 0.252
9C3E TCR - CD3 complex bound to HLA Deposited 2024-05-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 9 PDB declaration: nonameric
Chain H 21–118（98 aa）
Mutation：C9V NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 CLR CHOLESTEROL × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.50 Å
9C42 Structure of human MR1-ellagic acid in complex with human MAIT A-F7 TCR Deposited 2024-06-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded REF 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione × 1 NA SODIUM ION × 3 ACY ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3350, bis-tris propane, sodium acetate
Resolution 2.69 Å R-free 0.246
9C42 Structure of human MR1-ellagic acid in complex with human MAIT A-F7 TCR Deposited 2024-06-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded REF 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione × 1 ACY ACETIC ACID × 2 CL CHLORIDE ION × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3350, bis-tris propane, sodium acetate
Resolution 2.69 Å R-free 0.246
9C6V Crystal Structure of a single chain trimer composed of HLA-B*39:06 Y84C variant, beta-2microglobulin, and NRVMLPKAA peptide from NLRP2 (1 molecule/asymmetric unit) Deposited 2024-06-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；20% PEG 3350, 0.2 M Potassium sulfate
Resolution 1.70 Å R-free 0.219
9C6W Crystal Structure of a single chain trimer composed of HLA-B*39:06 Y84C variant, beta-2microglobulin, and NRVMLPKAA peptide from NLRP2 (2 molecules/asymmetric unit) Deposited 2024-06-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Not recorded SO4 SULFATE ION × 7 EDO 1,2-ETHANEDIOL × 8 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；2M Ammonuim sulfate,0.2 M Lithium sulfate, 0.1 M HEPES
Resolution 1.70 Å R-free 0.215
9C6W Crystal Structure of a single chain trimer composed of HLA-B*39:06 Y84C variant, beta-2microglobulin, and NRVMLPKAA peptide from NLRP2 (2 molecules/asymmetric unit) Deposited 2024-06-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 21–119（99 aa）
Not recorded SO4 SULFATE ION × 8 EDO 1,2-ETHANEDIOL × 9 CL CHLORIDE ION × 2 P3G 3,6,9,12,15-PENTAOXAHEPTADECANE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；2M Ammonuim sulfate,0.2 M Lithium sulfate, 0.1 M HEPES
Resolution 1.70 Å R-free 0.215
9C6X Crystal Structure of a single chain trimer composed of HLA-B*39:01 Y84C variant, beta-2microglobulin, and NRVMLPKAA peptide from NLRP2 Deposited 2024-06-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–119（99 aa）
Not recorded P4G 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；25% PEG 3350 and 0.1 M Tris
Resolution 1.70 Å R-free 0.232
9C96 Cryo-EM structure of TAP binding protein related (TAPBPR) in complex with HLA-A*02:01 bound to a suboptimal peptide. Deposited 2024-06-13 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–118（98 aa）
Mutation：H31C No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å
9C9D Protein receptor Deposited 2024-06-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded 30W N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide × 1 GOL GLYCEROL × 3 SO4 SULFATE ION × 8 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；295 K；PEG 8K, (NH4)2SO4, MES
Resolution 2.90 Å R-free 0.215
9CGR Structure of human MAIT A-F7 TCR in complex with human MR1-Pyridoxal Deposited 2024-06-30 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded PXL 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE × 1 GOL GLYCEROL × 3 ACY ACETIC ACID × 2 CL CHLORIDE ION × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；PEG 3350, BTP, Ca acetate
Resolution 2.40 Å R-free 0.216
9CGR Structure of human MAIT A-F7 TCR in complex with human MR1-Pyridoxal Deposited 2024-06-30 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded PXL 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE × 1 GOL GLYCEROL × 7 ACY ACETIC ACID × 3 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；PEG 3350, BTP, Ca acetate
Resolution 2.40 Å R-free 0.216
9CGS Structure of human MAIT A-F7 TCR in complex with human MR1-Pyridoxal-5'-phosphate Deposited 2024-06-30 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 2 ACY ACETIC ACID × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；PEG 3350, BTP, Ca acetate
Resolution 2.00 Å R-free 0.200
9CGS Structure of human MAIT A-F7 TCR in complex with human MR1-Pyridoxal-5'-phosphate Deposited 2024-06-30 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 1 ACY ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；PEG 3350, BTP, Ca acetate
Resolution 2.00 Å R-free 0.200
9CWY Crystal structure of HLA-A*03:02 in complex with a wild-type PIK3CA peptide Deposited 2024-07-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded ACT ACETATE ION × 2 FMT FORMIC ACID × 7 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277.15 K；12% w/v polyethylene glycol 3,350, 4% v/v Tacsimate (Hampton Research)
Resolution 1.98 Å R-free 0.224
9CWZ Crystal structure of HLA-A*03:02 in complex with a mutant PIK3CA peptide Deposited 2024-07-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277.15 K；20% w/v polyethylene glycol 3,350, 200 mM lithium nitrate
Resolution 2.05 Å R-free 0.238
9CX0 Crystal structure of HLA-A*03:01 E152V mutant in complex with a mutant PIK3CA peptide Deposited 2024-07-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277.15 K；12% w/v polyethylene glycol 3,350, 100 mM sodium malonate
Resolution 1.92 Å R-free 0.242
9CX1 Crystal structure of HLA-A*03:01 L156Q mutant in complex with a mutant PIK3CA peptide Deposited 2024-07-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277.15 K；20% w/v polyethylene glycol 3,350, 200 mM sodium malonate
Resolution 2.00 Å R-free 0.221
9CX2 Crystal structure of HLA-A*03:01 L156Q mutant in complex with a mutant PIK3CA peptide Deposited 2024-07-30 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277.15 K；10% w/v polyethylene glycol 20,000, 100 mM MES
Resolution 2.30 Å R-free 0.219
9D73 CryoEM structure of anti-MHC-I mAb B1.23.2 complex with HLA-B44:05 Deposited 2024-08-16 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.02 Å
9D74 CryoEM structure of anti-MHC-I Fab B1.23.2 complex with HLA-B44:05 Deposited 2024-08-16 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.31 Å
9D95 TRAV35/TRBV20 TCR - HLA-B38 complex Deposited 2024-08-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 P6G HEXAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；0.1M Bis-Tris, pH6.5, 22%PEG3350, 0.2M (NH4)2SO4
Resolution 2.80 Å R-free 0.235
9D95 TRAV35/TRBV20 TCR - HLA-B38 complex Deposited 2024-08-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 P6G HEXAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；0.1M Bis-Tris, pH6.5, 22%PEG3350, 0.2M (NH4)2SO4
Resolution 2.80 Å R-free 0.235
9D95 TRAV35/TRBV20 TCR - HLA-B38 complex Deposited 2024-08-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 P6G HEXAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；0.1M Bis-Tris, pH6.5, 22%PEG3350, 0.2M (NH4)2SO4
Resolution 2.80 Å R-free 0.235
9D95 TRAV35/TRBV20 TCR - HLA-B38 complex Deposited 2024-08-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain Q 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 P6G HEXAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；0.1M Bis-Tris, pH6.5, 22%PEG3350, 0.2M (NH4)2SO4
Resolution 2.80 Å R-free 0.235
9D96 KIR3DL1 - HLA-B38-YHL complex Deposited 2024-08-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；15% PEG 3350, 2% Tacsimate, pH 5.0, and 0.1 M trisodium citrate, pH 5.6
Resolution 2.40 Å R-free 0.238
9D96 KIR3DL1 - HLA-B38-YHL complex Deposited 2024-08-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；15% PEG 3350, 2% Tacsimate, pH 5.0, and 0.1 M trisodium citrate, pH 5.6
Resolution 2.40 Å R-free 0.238
9D97 KIR3DL1 - HLA-B*38-YHE complex Deposited 2024-08-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；15% PEG 3350, 2% Tacsimate, pH 5.0, 0.1 M Na3citrate, pH 5.6
Resolution 1.60 Å R-free 0.195
9D97 KIR3DL1 - HLA-B*38-YHE complex Deposited 2024-08-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；15% PEG 3350, 2% Tacsimate, pH 5.0, 0.1 M Na3citrate, pH 5.6
Resolution 1.60 Å R-free 0.195
9DBT Crystal structure of human astrovirus 1 capsid spike bound to human neonatal Fc receptor Deposited 2024-08-23 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain D 21–119（99 aa）
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.1；295.15 K；Sodium chloride, Ammonium sulfate, BIS-TRIS
Resolution 3.40 Å R-free 0.263
9DBT Crystal structure of human astrovirus 1 capsid spike bound to human neonatal Fc receptor Deposited 2024-08-23 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain B 21–119（99 aa）
Chain J 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.1；295.15 K；Sodium chloride, Ammonium sulfate, BIS-TRIS
Resolution 3.40 Å R-free 0.263
9DL1 Crystal Structure of HLA-A*02:01/NY-ESO-1 (SLLMWITQV) and a target specific TRACeR-I Deposited 2024-09-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain C 21–119（99 aa） Fragment：UNP residues 21-119
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Sodium Sulfate and 20% w/v PEG 3350
Resolution 2.30 Å R-free 0.265
9DY8 Crystal structure of HLA-B*18:01 in complex with PEMTFFSVK, an 9-mer epitope from Influenza B Deposited 2024-10-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded PEG DI(HYDROXYETHYL)ETHER × 5 NA SODIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M Lithium Acetate and 20% polyethylene glycol 3350
Resolution 2.00 Å R-free 0.248
9EK6 Crystal structure of MAIT TCR in complex with MR1-5FU Deposited 2024-12-01 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded TDR THYMINE × 1 GOL GLYCEROL × 3 ACT ACETATE ION × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；PEG3350, sodium acetate, BTP
Resolution 2.22 Å R-free 0.210
9EK6 Crystal structure of MAIT TCR in complex with MR1-5FU Deposited 2024-12-01 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded TDR THYMINE × 1 GOL GLYCEROL × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；PEG3350, sodium acetate, BTP
Resolution 2.22 Å R-free 0.210
9EK7 Crystal structure of MAIT TCR in complex with MR1-5FdU Deposited 2024-12-01 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded YC6 1-(2-deoxy-alpha-D-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione × 1 GOL GLYCEROL × 3 ACT ACETATE ION × 3 CL CHLORIDE ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；PEG3350, sodium acetate, BTP
Resolution 2.15 Å R-free 0.206
9EK7 Crystal structure of MAIT TCR in complex with MR1-5FdU Deposited 2024-12-01 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 4 ACT ACETATE ION × 2 THM THYMIDINE × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；PEG3350, sodium acetate, BTP
Resolution 2.15 Å R-free 0.206
9F13 Crystal structure of HLA-C*12:02 in complex with KAYNVTQAF (KF9), a 9-mer epitope from SARS-CoV-2 Nucleocapsid (N266-274) Deposited 2024-04-18 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2% PEG400, 20% PEG3350
Resolution 1.61 Å R-free 0.231
9FE1 Cryo-EM structure of the ternary DARPin NY_1/HLA-A0201/NY-ESO1 complex. Deposited 2024-05-17 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4；25 mM HEPES, 150 mM NaCl, pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.10 Å
9GV6 Structure of TCR in complex with peptide-HLA Deposited 2024-09-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Sodium citrate tribasic dihydrate, 0.1 M Bis-Tris propane pH 7.5, and 20 % w/v PEG 3350
Resolution 2.77 Å R-free 0.274
9GV6 Structure of TCR in complex with peptide-HLA Deposited 2024-09-23 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain H 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Sodium citrate tribasic dihydrate, 0.1 M Bis-Tris propane pH 7.5, and 20 % w/v PEG 3350
Resolution 2.77 Å R-free 0.274
9GV7 Structure of reverse docking TCR in complex with peptide-HLA Deposited 2024-09-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M MMT pH 9, 25% PEG 1500
Resolution 1.86 Å R-free 0.212
9HI7 Structure of MC.7.G5 T cell receptor in complex with MR1 R9H Deposited 2024-11-24 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；50 mM HEPES pH 7.0, 250 mM NaCl and 11% PEG 8000
Resolution 2.81 Å R-free 0.296
9HI7 Structure of MC.7.G5 T cell receptor in complex with MR1 R9H Deposited 2024-11-24 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain G 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；50 mM HEPES pH 7.0, 250 mM NaCl and 11% PEG 8000
Resolution 2.81 Å R-free 0.296
9HKQ Structure of VHH5 targeting NY-ESO-1(SLLMWITQC)/HLA-A*02:01 Deposited 2024-12-04 Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain C 21–119（99 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.30 Å
9HLJ Crystal structure of GV37-TCR in complex with HLA-C*12:02 with KAYNVTQAF (KF9), a 9-mer epitope from SARS-CoV-2 Nucleocapsid (N266-274) Deposited 2024-12-05 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded EDO 1,2-ETHANEDIOL × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Magnesium formate dihydrate, 20% PEG3350
Resolution 2.54 Å R-free 0.257
9IKY Crystal structure of 1-2C-T96F TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) Deposited 2024-06-29 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain p 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Magnesium chloride hexahydrate, 0.1 M Sodium HEPES (pH 7.0) 15% w/v PEG 4000.
Resolution 3.45 Å R-free 0.234
9IKY Crystal structure of 1-2C-T96F TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) Deposited 2024-06-29 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 10 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain k 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Magnesium chloride hexahydrate, 0.1 M Sodium HEPES (pH 7.0) 15% w/v PEG 4000.
Resolution 3.45 Å R-free 0.234
9IKY Crystal structure of 1-2C-T96F TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) Deposited 2024-06-29 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 11 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain u 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Magnesium chloride hexahydrate, 0.1 M Sodium HEPES (pH 7.0) 15% w/v PEG 4000.
Resolution 3.45 Å R-free 0.234
9IKY Crystal structure of 1-2C-T96F TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) Deposited 2024-06-29 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Magnesium chloride hexahydrate, 0.1 M Sodium HEPES (pH 7.0) 15% w/v PEG 4000.
Resolution 3.45 Å R-free 0.234
9IKY Crystal structure of 1-2C-T96F TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) Deposited 2024-06-29 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Magnesium chloride hexahydrate, 0.1 M Sodium HEPES (pH 7.0) 15% w/v PEG 4000.
Resolution 3.45 Å R-free 0.234
9IKY Crystal structure of 1-2C-T96F TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) Deposited 2024-06-29 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Magnesium chloride hexahydrate, 0.1 M Sodium HEPES (pH 7.0) 15% w/v PEG 4000.
Resolution 3.45 Å R-free 0.234
9IKY Crystal structure of 1-2C-T96F TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) Deposited 2024-06-29 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain Q 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Magnesium chloride hexahydrate, 0.1 M Sodium HEPES (pH 7.0) 15% w/v PEG 4000.
Resolution 3.45 Å R-free 0.234
9IKY Crystal structure of 1-2C-T96F TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) Deposited 2024-06-29 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain V 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Magnesium chloride hexahydrate, 0.1 M Sodium HEPES (pH 7.0) 15% w/v PEG 4000.
Resolution 3.45 Å R-free 0.234
9IKY Crystal structure of 1-2C-T96F TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) Deposited 2024-06-29 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 7 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain a 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Magnesium chloride hexahydrate, 0.1 M Sodium HEPES (pH 7.0) 15% w/v PEG 4000.
Resolution 3.45 Å R-free 0.234
9IKY Crystal structure of 1-2C-T96F TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) Deposited 2024-06-29 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 8 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain f 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Magnesium chloride hexahydrate, 0.1 M Sodium HEPES (pH 7.0) 15% w/v PEG 4000.
Resolution 3.45 Å R-free 0.234
9IKY Crystal structure of 1-2C-T96F TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) Deposited 2024-06-29 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 9 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain f 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Magnesium chloride hexahydrate, 0.1 M Sodium HEPES (pH 7.0) 15% w/v PEG 4000.
Resolution 3.45 Å R-free 0.234
9J4S Structural basis for recognition of SARS-CoV-2 conserved nucleocapside epitopes by dominant T cell receptors Deposited 2024-08-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain H 21–119（99 aa）
Not recorded SO4 SULFATE ION × 5 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；0.1M Tris-base/hydrochloric acid (pH 7.0), 0.2 M lithium sulfate, and 1.9 M ammonium sulfate
Resolution 2.95 Å R-free 0.238
9J4S Structural basis for recognition of SARS-CoV-2 conserved nucleocapside epitopes by dominant T cell receptors Deposited 2024-08-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain D 21–119（99 aa）
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；0.1M Tris-base/hydrochloric acid (pH 7.0), 0.2 M lithium sulfate, and 1.9 M ammonium sulfate
Resolution 2.95 Å R-free 0.238
9J4S Structural basis for recognition of SARS-CoV-2 conserved nucleocapside epitopes by dominant T cell receptors Deposited 2024-08-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 10 PDB declaration: decameric
Chain D 21–119（99 aa）
Chain H 21–119（99 aa）
Not recorded SO4 SULFATE ION × 9 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；0.1M Tris-base/hydrochloric acid (pH 7.0), 0.2 M lithium sulfate, and 1.9 M ammonium sulfate
Resolution 2.95 Å R-free 0.238
9J4T Structural basis for recognition of SARS-CoV-2 conserved nucleocapside epitopes by dominant T cell receptors Deposited 2024-08-10 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M ammonium citrate dibasic, and 20% (w/v) PEG 3350
Resolution 2.04 Å R-free 0.232
9J4U Structural basis for recognition of SARS-CoV-2 conserved nucleocapside epitopes by dominant T cell receptors Deposited 2024-08-10 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M potassium sodium tartrate tetrahydrate, and 20% (w/v) PEG 3350
Resolution 2.17 Å R-free 0.239
9J4V Structural basis for recognition of SARS-CoV-2 conserved nucleocapside epitopes by dominant T cell receptors Deposited 2024-08-10 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded P6G HEXAETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1 HEPES (pH 7.5), 0.2 M ammonium acetate, and 24% (w/v) PEG 3350
Resolution 1.98 Å R-free 0.243
9J4V Structural basis for recognition of SARS-CoV-2 conserved nucleocapside epitopes by dominant T cell receptors Deposited 2024-08-10 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 21–119（99 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1 HEPES (pH 7.5), 0.2 M ammonium acetate, and 24% (w/v) PEG 3350
Resolution 1.98 Å R-free 0.243
9K2I Rac1 epitope specific TCR 5934 binding to Rac1P29S-HLA-A2 Deposited 2024-10-17 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.2M Potassium Citrate, 21% PEG 4000, 0.1M Hepes, pH7.0
Resolution 3.05 Å R-free 0.290
9K2I Rac1 epitope specific TCR 5934 binding to Rac1P29S-HLA-A2 Deposited 2024-10-17 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.2M Potassium Citrate, 21% PEG 4000, 0.1M Hepes, pH7.0
Resolution 3.05 Å R-free 0.290
9K2I Rac1 epitope specific TCR 5934 binding to Rac1P29S-HLA-A2 Deposited 2024-10-17 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain L 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.2M Potassium Citrate, 21% PEG 4000, 0.1M Hepes, pH7.0
Resolution 3.05 Å R-free 0.290
9K2I Rac1 epitope specific TCR 5934 binding to Rac1P29S-HLA-A2 Deposited 2024-10-17 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain Q 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.2M Potassium Citrate, 21% PEG 4000, 0.1M Hepes, pH7.0
Resolution 3.05 Å R-free 0.290
9K2R Human T cell receptor (TRAV24*01/TRBV27*01) in complex with HLA-C*1202 and IY11 peptide Deposited 2024-10-18 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M HEPES pH7.0, 1.6M ammonium sulfate, 0.2M sodium thiocyanate
Resolution 2.98 Å R-free 0.233
9K2R Human T cell receptor (TRAV24*01/TRBV27*01) in complex with HLA-C*1202 and IY11 peptide Deposited 2024-10-18 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M HEPES pH7.0, 1.6M ammonium sulfate, 0.2M sodium thiocyanate
Resolution 2.98 Å R-free 0.233
9K2R Human T cell receptor (TRAV24*01/TRBV27*01) in complex with HLA-C*1202 and IY11 peptide Deposited 2024-10-18 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain H 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M HEPES pH7.0, 1.6M ammonium sulfate, 0.2M sodium thiocyanate
Resolution 2.98 Å R-free 0.233
9K2S Killer cell immunoglobulin-like receptor 2DL2 in complex with HLA-C*1202 and IY10 peptide Deposited 2024-10-18 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 1–119（119 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M K/Na tartrate, 20% PEG 3350
Resolution 2.40 Å R-free 0.299
9K2T Crystal structure of HLA-C*1202 in complex with IY10 peptide Deposited 2024-10-18 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；PEG
Resolution 2.20 Å R-free 0.243
9K2U Crystal structure of HLA-C*1202 in complex with IY11V9A peptide Deposited 2024-10-18 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M Sodium bromide, 20% (w/v) PEG 3350
Resolution 2.10 Å R-free 0.247
9L47 Crystal structure of HLA-C*12:03-MY9 Deposited 2024-12-20 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.2 M Lithium sulfate 0.1M Tris pH8.5 30% w/v PEG4,000
Resolution 2.80 Å R-free 0.265
9L47 Crystal structure of HLA-C*12:03-MY9 Deposited 2024-12-20 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.2 M Lithium sulfate 0.1M Tris pH8.5 30% w/v PEG4,000
Resolution 2.80 Å R-free 0.265
9L48 Crystal structure of HLA-C*12:02-RV9 Deposited 2024-12-20 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 20–119（100 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.2 M sodium citrate tribasic dihydrate, 20% w/v Polyethylene glycol 3,350
Resolution 1.90 Å R-free 0.204
9L49 Crystal structure of HLA-C*12:03-RV9 Deposited 2024-12-20 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；1.5 M Ammonium sulfate 0.1 M Sodium HEPES pH7.5 2% v/v PEG400
Resolution 3.00 Å R-free 0.235
9L4A Crystal structure of HLA-C*12:02-MY9 Deposited 2024-12-20 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.2M Sodium formate 0.1M Bis-Tris propane pH8.5 20% w/v PEG3,350
Resolution 1.90 Å R-free 0.207
9L4A Crystal structure of HLA-C*12:02-MY9 Deposited 2024-12-20 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.2M Sodium formate 0.1M Bis-Tris propane pH8.5 20% w/v PEG3,350
Resolution 1.90 Å R-free 0.207
9L4G Crystal structure of HLA-C*14:03 complexed with 8-mer HIV gag peptide Deposited 2024-12-20 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 20–119（100 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；6% v/v 2-Propanol, 0.1 M Sodium acetate trihydrate pH 4.5 and 26% v/v Polyethylene glycol monomethyl ether 550
Resolution 2.70 Å R-free 0.255
9L4H Crystal structure of HLA-C*14:03 complexed with KIR2DL2 Deposited 2024-12-20 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 20–119（100 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.2 M Potassium phosphate dibasic and 20% w/v Polyethylene glycol 3,350
Resolution 3.10 Å R-free 0.252
9L4I Crystal structure of HLA-C*14:02 complexed with KIR2DL2 Deposited 2024-12-20 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.2 M Potassium citrate tribasic monohydrate and 20% w/v Polyethylene glycol 3,350
Resolution 2.50 Å R-free 0.253
9MDA Conformational flexibility in HLA-B8: peptide tuning structural and dynamical changes Deposited 2024-12-05 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；12.5-16% PEG 4000,100mM citrate acid pH5.5 ,100mM ammonium acetate
Resolution 1.60 Å R-free 0.239
9MEF Conformational flexibility in HLA-B8: peptide tuning structural and dynamical changes Deposited 2024-12-06 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；15% PEG4000, 0.1m citrate acid pH5.4, 0.2M ammonium acetate
Resolution 1.27 Å R-free 0.227
9MEG Conformational flexibility in HLA-B8: peptide tuning structural and dynamical changes Deposited 2024-12-06 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；50% PEG4000, 20% citrate acid pH5.5, 0.1M ammonium acetate
Resolution 1.61 Å R-free 0.227
9MI6 Crystal structure of human FcRn in complex with nipocalimab Fab fragment Deposited 2024-12-12 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；10% PEG 1000, 10% PEG 8000
Resolution 2.41 Å R-free 0.248
9MIN Structure of a designed minibinder to NYESO1-A*02:01 Deposited 2024-12-13 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Mutation：insertion of MG at N-terminus - cloning artifact GOL GLYCEROL × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.2 M ammonium acetate 0.1 M bis-tris pH 5.5 25% PEG 3350
Resolution 2.05 Å R-free 0.267
9MIN Structure of a designed minibinder to NYESO1-A*02:01 Deposited 2024-12-13 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain G 21–119（99 aa）
Mutation：insertion of MG at N-terminus - cloning artifact GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.2 M ammonium acetate 0.1 M bis-tris pH 5.5 25% PEG 3350
Resolution 2.05 Å R-free 0.267
9MS0 Structure of cord Blood MAIT A2 TCR in complex with human MR1-5-OP-RU Deposited 2025-01-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–118（98 aa）
Not recorded Q87 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；PEG3350, Na-acetate, BTP
Resolution 2.52 Å R-free 0.213
9NAV CryoEM structure of human astrovirus 1 spike in complex with human neonatal Fc receptor Deposited 2025-02-12 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 10 PDB declaration: decameric
Chain H 21–119（99 aa）
Chain J 21–119（99 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.81 Å
9NFB Structure of the cross-HLA supertype antibody R302 bound to a class I MHC presenting a divarasib-modified KRAS-G12C peptide on HLA-A*02 Deposited 2025-02-21 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded A1AWR 1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}propan-1-one × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE；blot time 4 s blot force 5
Resolution 3.23 Å
9NFC Structure of the cross-HLA supertype antibody R302 bound to a class I MHC presenting a divarasib-modified KRAS-G12C peptide on HLA-A*03 Deposited 2025-02-21 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded A1AWR 1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}propan-1-one × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE；blot time 4 s blot force 5
Resolution 2.58 Å
9NKH Conformational flexibility in HLA-B8: peptide tuning structural and dynamical changes Deposited 2025-02-28 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.4；298 K；25% PEG3350, 0.1M Tris pH8.4, 0.1M (NH4)2SO4, 90mM Cesium chloride
Resolution 1.94 Å R-free 0.259
9NKH Conformational flexibility in HLA-B8: peptide tuning structural and dynamical changes Deposited 2025-02-28 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.4；298 K；25% PEG3350, 0.1M Tris pH8.4, 0.1M (NH4)2SO4, 90mM Cesium chloride
Resolution 1.94 Å R-free 0.259
9NMU TCR156 bound to HLA A*02:01-PAP Deposited 2025-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 7 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；295 K；0.2 M Sodium malonate, 0.1 M bis Tris-propane pH 7.5, 17% PEG 3500
Resolution 2.10 Å R-free 0.227
9NMV TCR156 S32Halpha bound to HLA A*02:01-PAP Deposited 2025-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；295 K；0.2 M Sodium malonate, 0.1 M bis Tris-propane pH 7.5, 20% PEG3500
Resolution 1.97 Å R-free 0.217
9NMW TCR156 S30Ealpha S32Qalpha bound to HLA A*02:01-PAP Deposited 2025-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 11 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；295 K；0.2 M Na2SO4, bis tris propane pH 7.5, 20% PEG 3350
Resolution 2.11 Å R-free 0.232
9NMX TCR156 S32Malpha variant bound to HLA A*02:01-PAP Deposited 2025-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded MLI MALONATE ION × 2 GOL GLYCEROL × 12 NA SODIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；295 K；0.2 M Sodium malonate, 0.1 M bis Tris-propane pH 7.5, 17% PEG 3500
Resolution 2.19 Å R-free 0.229
9NMY TCR156 S32Qalpha bound to HLA A*02:01-PAP Deposited 2025-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 9 MLI MALONATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.3；295 K；0.2 M sodium malonat, 20% PEG 3350
Resolution 2.01 Å R-free 0.227
9NNF Cryo-EM structure of a de-novo designed binder NY1-B04 in complex with HLA-A*02:01 and NY-ESO-1-derived peptide SLLMWITQC Deposited 2025-03-05 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.80 Å
9NW6 CA147v24 Fab bound to HLA-E-VL9 Deposited 2025-03-21 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M potassium iodide, 0.1 M MES pH 6.5, 25% PEG 4000
Resolution 3.10 Å R-free 0.258
9NW6 CA147v24 Fab bound to HLA-E-VL9 Deposited 2025-03-21 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain D 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M potassium iodide, 0.1 M MES pH 6.5, 25% PEG 4000
Resolution 3.10 Å R-free 0.258
9NW7 CA117v2v8 Fab bound to HLA-E-VL9 Deposited 2025-03-21 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M ammonium acetate, 0.1 M HEPES pH 7.5, 25% PEG 3350
Resolution 2.10 Å R-free 0.233
9NW8 CA117v2v8 Fab bound to HLA-E-Mtb44 Deposited 2025-03-21 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M magnesium acetate, 20% PEG 3350
Resolution 2.30 Å R-free 0.246
9NW9 CA117v2v8 Fab bound to HLA-E-RL9HIV Deposited 2025-03-21 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M magnesium chloride, 20% PEG 3350
Resolution 2.30 Å R-free 0.239
9NYN Conformational flexibility in HLA-B8: peptide tuning structural and dynamical changes Deposited 2025-03-27 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；15% PEG 4000, 0.1M Sodium cacodylate pH 5.4, 0.2M ammonium acetate
Resolution 1.43 Å R-free 0.215
9O05 Structure of human MAIT A-F7 TCR in complex with human MR1-riboflavin Deposited 2025-04-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded RBF RIBOFLAVIN × 1 ACT ACETATE ION × 1 GOL GLYCEROL × 2 CL CHLORIDE ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.3；298 K；Bis-Tris-propane, PEG3350 and sodium acetate
Resolution 1.95 Å R-free 0.201
9O05 Structure of human MAIT A-F7 TCR in complex with human MR1-riboflavin Deposited 2025-04-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded RBF RIBOFLAVIN × 1 ACT ACETATE ION × 1 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.3；298 K；Bis-Tris-propane, PEG3350 and sodium acetate
Resolution 1.95 Å R-free 0.201
9O06 Structure of human MAIT A-F7 TCR in complex with human MR1-10-formylmethylflavin Deposited 2025-04-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded A1B7N (7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)acetaldehyde × 2 GOL GLYCEROL × 4 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.3；298 K；Bis-Tris-propane, PEG3350 and sodium acetate
Resolution 2.00 Å R-free 0.210
9O07 Structure of human MAIT A-F7 TCR in complex with human MR1-lumiflavin Deposited 2025-04-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded LFN LUMIFLAVIN × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.3；298 K；Bis-Tris-propane, PEG3350 and sodium acetate
Resolution 1.97 Å R-free 0.195
9O07 Structure of human MAIT A-F7 TCR in complex with human MR1-lumiflavin Deposited 2025-04-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded LFN LUMIFLAVIN × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.3；298 K；Bis-Tris-propane, PEG3350 and sodium acetate
Resolution 1.97 Å R-free 0.195
9O08 Structure of human MAIT A-F7 TCR in complex with human MR1-lumichrome Deposited 2025-04-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 2 LUM LUMICHROME × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.3；298 K；Bis-Tris-propane, PEG3350 and sodium acetate
Resolution 2.20 Å R-free 0.220
9O08 Structure of human MAIT A-F7 TCR in complex with human MR1-lumichrome Deposited 2025-04-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded GOL GLYCEROL × 3 LUM LUMICHROME × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.3；298 K；Bis-Tris-propane, PEG3350 and sodium acetate
Resolution 2.20 Å R-free 0.220
9O4X Gamma delta T cell receptor bound to CD1d Deposited 2025-04-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FO4 sphingomyelin × 1 1PE PENTAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；16% PEG 3350, 0.05M CBTP pH 5
Resolution 2.86 Å R-free 0.255
9O5S minibinder-antigen complex BXMart1-3-MART1-HLA*A02 Deposited 2025-04-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 15 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.2M potassium thiocyanate, 20% w/v PEG 3350
Resolution 2.27 Å R-free 0.234
9O5S minibinder-antigen complex BXMart1-3-MART1-HLA*A02 Deposited 2025-04-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain D 21–119（99 aa）
Not recorded GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.2M potassium thiocyanate, 20% w/v PEG 3350
Resolution 2.27 Å R-free 0.234
9O5S minibinder-antigen complex BXMart1-3-MART1-HLA*A02 Deposited 2025-04-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain I 21–119（99 aa）
Not recorded GOL GLYCEROL × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.2M potassium thiocyanate, 20% w/v PEG 3350
Resolution 2.27 Å R-free 0.234
9O5S minibinder-antigen complex BXMart1-3-MART1-HLA*A02 Deposited 2025-04-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain M 21–119（99 aa）
Not recorded GOL GLYCEROL × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.2M potassium thiocyanate, 20% w/v PEG 3350
Resolution 2.27 Å R-free 0.234
9OC6 Crystal structure of receptor FcRn bound to Human Astrovirus 6 spike Deposited 2025-04-23 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain D 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M HEPES, 30% 1,2-propanediol, 20% PEG-400
Resolution 2.97 Å R-free 0.281
9OC7 Crystal structure of FcRn in complex with Human Astrovirus 2 spike Deposited 2025-04-23 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain F 21–119（99 aa）
Chain Z 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.9；293 K；25% 1,2-propanediol, 10% glycerol, 5% PEG-3000, 0.1 M phosphate-citrate
Resolution 3.07 Å R-free 0.239
9OHT CD1c presenting GD3 ganglioside Deposited 2025-05-05 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 20–119（100 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 A1CB5 (2S)-2,3-dihydroxypropyl heptadecanoate × 1 KZF 2-(cyclohexylazaniumyl)ethanesulfonate × 1 MLA MALONIC ACID × 2 A1CB4 (2S,3R,4E)-3-hydroxy-2-octadecanamidooctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.46；293 K；0.1 M CHES pH 9.46 1.05 M tri-Na citrate 0.025 M tri-glycine
Resolution 2.98 Å R-free 0.251
9OHU CD1c presenting GM3 ganglioside Deposited 2025-05-05 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 20–119（100 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 A1CB5 (2S)-2,3-dihydroxypropyl heptadecanoate × 1 KZF 2-(cyclohexylazaniumyl)ethanesulfonate × 1 MLA MALONIC ACID × 2 CL CHLORIDE ION × 2 A1CB6 (2S,3R,4E)-3-hydroxy-2-octadecanamidooctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.46；293 K；0.1 M CHES pH 9.46 1.05 M tri-Na Citrate 0.025 M tri-glycine
Resolution 2.90 Å R-free 0.272
9OHV CD1c presenting dual lipids MPM and GD3 ganglioside Deposited 2025-05-05 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–118（98 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 A1CB4 (2S,3R,4E)-3-hydroxy-2-octadecanamidooctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside × 1 MK0 1-O-[(S)-hydroxy{[(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-beta-D-mannopyranose × 1 CL CHLORIDE ION × 1 KZF 2-(cyclohexylazaniumyl)ethanesulfonate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.46；293 K；0.1 M CHES pH 9.46 1.05 M tri-Na Citrate 0.025 M tri-glycine
Resolution 2.12 Å R-free 0.260
9OHW CD1c presenting GM1 ganglioside Deposited 2025-05-05 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 20–118（99 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 MK0 1-O-[(S)-hydroxy{[(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-beta-D-mannopyranose × 1 GGG glycylglycylglycine × 3 KZF 2-(cyclohexylazaniumyl)ethanesulfonate × 3 MLA MALONIC ACID × 1 A1CB7 (2S,3R,4E)-3-hydroxy-2-octadecanamidooctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.46；293 K；0.1 M CHES pH 9.46 1.05 M tri-Na Citrate 0.025 M tri-glycine
Resolution 2.50 Å R-free 0.246
9OHX CD1c presenting endogenous lipids Deposited 2025-05-05 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 20–119（100 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 KZF 2-(cyclohexylazaniumyl)ethanesulfonate × 3 EKG (2R)-2,3-dihydroxypropyl hexadecanoate × 1 D10 DECANE × 1 D12 DODECANE × 1 R16 HEXADECANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.4；293 K；100 mM CHES, 1.05 M sodium citrate, 25 mM triglycine
Resolution 1.68 Å R-free 0.217
9OHY CD1c presenting phosphomycoketide in its open conformation Deposited 2025-05-05 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 20–119（100 aa）
Not recorded Z7B (4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 D12 DODECANE × 2 KZF 2-(cyclohexylazaniumyl)ethanesulfonate × 3 GGG glycylglycylglycine × 1 MLA MALONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.46；293 K；0.1 M CHES pH 9.46 1.05 M tri-Na Citrate 0.025 M tri-glycine
Resolution 2.20 Å R-free 0.242
9OHZ Crystal structure of CD1a presenting ganglioside GD3 Deposited 2025-05-05 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 20–119（100 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 A1CB9 N-{(2S,3R)-1-[(4-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}tetracosanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；21% PEG 1500, 0.1M MMT pH 5.5
Resolution 2.14 Å R-free 0.247
9OI0 Crystal structure of CD1b presenting ganglioside GD3 Deposited 2025-05-05 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 21–118（98 aa）
Not recorded IOD IODIDE ION × 4 CL CHLORIDE ION × 2 EDO 1,2-ETHANEDIOL × 3 A1CDL N-{(2S,3R,4E)-1-[(4-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}octadecanamide × 1 CUY tetracosyl octadecanoate × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；22% PEG 3350, 0.1 M Sodium Iodide
Resolution 1.84 Å R-free 0.266
9PBG TCR 19.2 complex with YEIH-HLA B*27:05 Deposited 2025-06-26 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 9 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.2 M sodium malonate pH 6.4 17% PEG 3350
Resolution 2.00 Å R-free 0.258
9PBH AS19.2 TCR complex with PSG5-HLA B*27:05 Deposited 2025-06-26 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.2 M sodium formate; 20% PEG 3350
Resolution 2.13 Å R-free 0.246
9PIX Mur14 Fab with HBV c18V pMHC Deposited 2025-07-11 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；300 K；0.2 M NH4F, 20% PEG3350
Resolution 2.35 Å R-free 0.235
9PKC Mur35 Fab with HBV c18V pMHC Deposited 2025-07-14 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；300 K；0.15 M NH4F + 15% PEG3350
Resolution 2.50 Å R-free 0.302
9PKF Mur35 Fab with HBV c18I pMHC Deposited 2025-07-14 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；300 K；0.2 M NH4F + 20% PEG3350
Resolution 2.60 Å R-free 0.303
9PKV HU-38 Fab with PRAME pMHC Deposited 2025-07-14 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.72 Å
9QQE Cryo-EM structure of the SN230G6 Fab - HLA-A*02:01 human alloantibody-HLA complex Deposited 2025-03-31 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4；1X Phosphate-Buffered Saline (PBS)
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.78 Å
9QQF Cryo-EM structure of the WIM8E5 Fab - HLA-A*11:01 human alloantibody-HLA complex Deposited 2025-03-31 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 1–119（119 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4；1X Phosphate-Buffered Saline (PBS)
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.23 Å
9QWJ Crystal structure of S2c TCR in complex with CD1c Deposited 2025-04-14 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–118（98 aa）
Not recorded EDO 1,2-ETHANEDIOL × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 BMA beta-D-mannopyranose × 1 D12 DODECANE × 2 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Sodium cacodylate trihydrate pH 6.4, 0.2 M Calcium chloride dihydrate, 16 % (w/v) PEG 3350 and 3 % (w/v) 1,6-Hexanediol
Resolution 2.04 Å R-free 0.235
9QWJ Crystal structure of S2c TCR in complex with CD1c Deposited 2025-04-14 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain N 21–118（98 aa）
Not recorded EDO 1,2-ETHANEDIOL × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 BMA beta-D-mannopyranose × 1 CA CALCIUM ION × 2 D10 DECANE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Sodium cacodylate trihydrate pH 6.4, 0.2 M Calcium chloride dihydrate, 16 % (w/v) PEG 3350 and 3 % (w/v) 1,6-Hexanediol
Resolution 2.04 Å R-free 0.235
9QWK Crystal structure of S2c-a5b6 TCR in complex with CD1c Deposited 2025-04-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 21–118（98 aa）
Chain B 21–118（98 aa）
Not recorded D10 DECANE × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Sodium thiocyanate and 20 % (w/v) PEG 3350
Resolution 2.27 Å R-free 0.253
9QWK Crystal structure of S2c-a5b6 TCR in complex with CD1c Deposited 2025-04-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain G 21–118（98 aa）
Chain J 21–118（98 aa）
Not recorded D10 DECANE × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Sodium thiocyanate and 20 % (w/v) PEG 3350
Resolution 2.27 Å R-free 0.253
9QWK Crystal structure of S2c-a5b6 TCR in complex with CD1c Deposited 2025-04-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain L 21–118（98 aa）
Chain O 21–118（98 aa）
Not recorded D10 DECANE × 2 EDO 1,2-ETHANEDIOL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FUC alpha-L-fucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Sodium thiocyanate and 20 % (w/v) PEG 3350
Resolution 2.27 Å R-free 0.253
9QWK Crystal structure of S2c-a5b6 TCR in complex with CD1c Deposited 2025-04-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain Q 21–118（98 aa）
Chain T 21–118（98 aa）
Not recorded D10 DECANE × 2 EDO 1,2-ETHANEDIOL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Sodium thiocyanate and 20 % (w/v) PEG 3350
Resolution 2.27 Å R-free 0.253
9RCV Structure of the Human Peptide-Loading Complex Arrested by HCMV US6 Deposited 2025-05-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 9 PDB declaration: nonameric
Chain D 1–119（119 aa）
Chain H 1–119（119 aa）
Not recorded ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 6.5；20 mM HEPES-NaOH pH 6.5, 150 mM NaCl, 10 mM MgCl2, 2.5 mM biotin, 0.05% (w/v) glycodiosgenin
cryo-EM vitrification conditions Cryogen ETHANE；Blot force 5, Blot time 5 s
Resolution 2.70 Å
9RUP Cryo-EM structure of TCRpub/pMHC dimer Deposited 2025-07-04 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 10 PDB declaration: decameric
Chain E 21–119（99 aa）
Chain e 21–119（99 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4；30 mM HEPES pH 7.4, 150 mM NaCl
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.11 Å
9RXM Cryo-EM structure of TCRpriv/pMHC Deposited 2025-07-11 Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain F 21–119（99 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4；30 mM HEPES pH 7.4, 150 mM NaCl
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å
9SKO Crystal structure of HLA-A0201 in complex with peptide LLWNGPMAVS Deposited 2025-09-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded NA SODIUM ION × 8 GOL GLYCEROL × 4 CL CHLORIDE ION × 11 EDO 1,2-ETHANEDIOL × 10 PEG DI(HYDROXYETHYL)ETHER × 1 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；0.2 M Ammonium nitrate, 0.1M HEPES 7.5, 20% w/v PEG Smear Broad BCS Screen E9
Resolution 1.49 Å R-free 0.204
9SKP Crystal structure of HLA-A0201 in complex with peptide SLLWNGPMAV Deposited 2025-09-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded CL CHLORIDE ION × 5 EDO 1,2-ETHANEDIOL × 13 NA SODIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；0.005M Nickel(II)chloride hexahydrate, 0.1 M TRIS 7.5 20% w/v PEG 4000 Clear Strategy 2 F9
Resolution 1.89 Å R-free 0.229
9SL0 Crystal structure of HLA-A0201 in complex with peptide LLWNGPMAV Deposited 2025-09-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded NA SODIUM ION × 2 EDO 1,2-ETHANEDIOL × 2 CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；0.005 M Cadmium chloride hemi(pentahydrate), 0.1 M Tris 8.5, 20% w/v PEG 4000 Clear-Strategy-Screen-II H3
Resolution 1.60 Å R-free 0.264
9UV8 Crystal structure of HLA-A*11:01 in complex with KRAS G12D 9-mer peptide (VVGADGVGK) Deposited 2025-05-09 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；27% PEG3350,0.1M Bis-Tris,0.2M Lithium sulfate,additve 0.1M Spermidine
Resolution 1.79 Å R-free 0.231
9UVI Crystal structure of beta 2 microglobulin in complex with antibody BBM.1 Deposited 2025-05-10 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.2 M Sodium acetate trihydrate 0.1 M Bis-Tris propane 8.5 20 % w/v PEG 3350
Resolution 2.50 Å R-free 0.246
9WBD Crystal structure of HLA-B*07:02 in complex with SPR epitope and Q04 TCR Deposited 2025-08-13 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain D 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；Tris-HCl, calcium chloride, PEG 3350
Resolution 2.75 Å R-free 0.270
9WBD Crystal structure of HLA-B*07:02 in complex with SPR epitope and Q04 TCR Deposited 2025-08-13 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain I 21–119（99 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；Tris-HCl, calcium chloride, PEG 3350
Resolution 2.75 Å R-free 0.270
9WBD Crystal structure of HLA-B*07:02 in complex with SPR epitope and Q04 TCR Deposited 2025-08-13 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain N 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；Tris-HCl, calcium chloride, PEG 3350
Resolution 2.75 Å R-free 0.270
9WBD Crystal structure of HLA-B*07:02 in complex with SPR epitope and Q04 TCR Deposited 2025-08-13 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain S 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；Tris-HCl, calcium chloride, PEG 3350
Resolution 2.75 Å R-free 0.270
9WVE Crystal structure of HLA-A*11:01 in complex with KRAS G12A 10-mer peptide (VVVGAAGVGK) Deposited 2025-09-19 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；23% PEG3350, 0.1M Bis-Tris, PH5.8, 0.2M Lithium sulfate
Resolution 2.80 Å R-free 0.267
9WVE Crystal structure of HLA-A*11:01 in complex with KRAS G12A 10-mer peptide (VVVGAAGVGK) Deposited 2025-09-19 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；23% PEG3350, 0.1M Bis-Tris, PH5.8, 0.2M Lithium sulfate
Resolution 2.80 Å R-free 0.267
9WVE Crystal structure of HLA-A*11:01 in complex with KRAS G12A 10-mer peptide (VVVGAAGVGK) Deposited 2025-09-19 Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；23% PEG3350, 0.1M Bis-Tris, PH5.8, 0.2M Lithium sulfate
Resolution 2.80 Å R-free 0.267
9WVE Crystal structure of HLA-A*11:01 in complex with KRAS G12A 10-mer peptide (VVVGAAGVGK) Deposited 2025-09-19 Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain K 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；23% PEG3350, 0.1M Bis-Tris, PH5.8, 0.2M Lithium sulfate
Resolution 2.80 Å R-free 0.267
9WVF Crystal structure of HLA-A*11:01 in complex with KRAS G12S 10-mer peptide (VVVGASGVGK) Deposited 2025-09-19 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；29% PEG3350,0.1M Bis-Tris,PH5.2,0.2M Lithium sulfate
Resolution 2.80 Å R-free 0.291
9WVF Crystal structure of HLA-A*11:01 in complex with KRAS G12S 10-mer peptide (VVVGASGVGK) Deposited 2025-09-19 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；29% PEG3350,0.1M Bis-Tris,PH5.2,0.2M Lithium sulfate
Resolution 2.80 Å R-free 0.291
9WVF Crystal structure of HLA-A*11:01 in complex with KRAS G12S 10-mer peptide (VVVGASGVGK) Deposited 2025-09-19 Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；29% PEG3350,0.1M Bis-Tris,PH5.2,0.2M Lithium sulfate
Resolution 2.80 Å R-free 0.291
9WVF Crystal structure of HLA-A*11:01 in complex with KRAS G12S 10-mer peptide (VVVGASGVGK) Deposited 2025-09-19 Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain K 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；29% PEG3350,0.1M Bis-Tris,PH5.2,0.2M Lithium sulfate
Resolution 2.80 Å R-free 0.291
9WYD Crystal structure of HAstV8 spike and FcRn Deposited 2025-09-26 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 21–119（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions LIQUID DIFFUSION；291.15 K；0.1 M BICINE pH 8.5, 8% w/v Polyethylene glycol monomethyl ether 5,000
Resolution 2.65 Å R-free 0.232
9Y0T Crystal structure of human MAIT A-F7 TCR-MR1*02-5-OP-RU complex Deposited 2025-08-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain B 21–119（99 aa）
Chain F 21–119（99 aa）
Not recorded Q87 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 2 ACT ACETATE ION × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, BTP, Cacl2
Resolution 2.30 Å R-free 0.218
9Y0U Crystal structure of human MAIT A-F7 TCR-MR1*03-5-OP-RU complex Deposited 2025-08-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Chain F 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded ACY ACETIC ACID × 2 Q87 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 2 GOL GLYCEROL × 8 CL CHLORIDE ION × 1 NA SODIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, BTP, CaCl2
Resolution 2.10 Å R-free 0.187
9Y0V Crystal Structure of human MAIT A-F7 TCR-MR1*04 complex Deposited 2025-08-29 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 21–119（99 aa）
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 6000, HEPES, Lithium Chloride
Resolution 3.00 Å R-free 0.244
9Y0V Crystal Structure of human MAIT A-F7 TCR-MR1*04 complex Deposited 2025-08-29 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 21–119（99 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 6000, HEPES, Lithium Chloride
Resolution 3.00 Å R-free 0.244
9Y0W Crystal Structure of human MAIT A-F7 TCR-MR1*05-5-OP-RU complex Deposited 2025-08-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain B 21–119（99 aa）
Chain F 21–119（99 aa）
Not recorded Q87 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol × 2 GOL GLYCEROL × 3 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, BTP, CaCl2
Resolution 2.40 Å R-free 0.217
9YTD Designed antibody vAB66 targeting PAP-HLA A*02:01 Deposited 2025-10-20 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.3
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.50 Å
9YTF TCR mimic antibody vAB-30 in complex with MAGE-A3 in HLA-A1 Deposited 2025-10-20 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain B 21–119（99 aa） Fragment：UNP residues 21-119
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.60 Å

1313 other PDB entries and 1997 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name B2MG_HUMAN
Isoform —
PDB entities 2
Chains and sequence ranges Author chain B； PDBConstruct 2–100； UniProt 21–119 Author chain E； PDBConstruct 2–100； UniProt 21–119

KRAS G12C peptide (VVVGACGVGK)

Homo sapiens

UniProt P01116

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain C； UniProt 7–16 Mutation：G12C HLA class I histocompatibility antigen, A alpha chain × 1 （P04439） Beta-2-microglobulin × 1 （P61769） X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；293.15 K；Ammonium sulfate,Sodium cacodylate pH 6.0, PEG 4000 Resolution 2.30 Å R-free 0.316
2 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain F； UniProt 7–16 Mutation：G12C HLA class I histocompatibility antigen, A alpha chain × 1 （P04439） Beta-2-microglobulin × 1 （P61769） X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；293.15 K；Ammonium sulfate,Sodium cacodylate pH 6.0, PEG 4000 Resolution 2.30 Å R-free 0.316

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 8K4T Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
10JT CRYSTAL STRUCTURE OF KIRSTEN RAT SARCOMA G12C COMPLEXED WITH GMPPNP AND COVALENTLY BOUND TO 1-[(2R,3R)-3-{[(7P)-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{ [(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d] pyrimidin-4-yl](methyl)amino}-2-methylpyrrolidin-1-yl]-3-(pyrazin-2-yl)propan-1-one Deposited 2026-01-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 A1C5K 1-[(2R,3R)-3-{[(7P)-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl](methyl)amino}-2-methylpyrrolidin-1-yl]-3-(pyrazin-2-yl)propan-1-one × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 MM HEPES, pH 7.5, 30% (w/v) PEG 4000, 200 MM calcium chloride dihyrate
Resolution 1.49 Å R-free 0.227
10JT CRYSTAL STRUCTURE OF KIRSTEN RAT SARCOMA G12C COMPLEXED WITH GMPPNP AND COVALENTLY BOUND TO 1-[(2R,3R)-3-{[(7P)-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{ [(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d] pyrimidin-4-yl](methyl)amino}-2-methylpyrrolidin-1-yl]-3-(pyrazin-2-yl)propan-1-one Deposited 2026-01-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 A1C5K 1-[(2R,3R)-3-{[(7P)-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl](methyl)amino}-2-methylpyrrolidin-1-yl]-3-(pyrazin-2-yl)propan-1-one × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 MM HEPES, pH 7.5, 30% (w/v) PEG 4000, 200 MM calcium chloride dihyrate
Resolution 1.49 Å R-free 0.227
10NU Structure of kRas G12C bound to Inhibitor 13ab Deposited 2026-01-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12C; C51S; C80L; C118S CA CALCIUM ION × 2 A1C6Y 1-((2R,5S)-4-((S)-6-chloro-7-(1,6-dimethyl-1H-indazol-7-yl)-8-fluoro-2-(((S)-1-methylpyrrolidin-2-yl)methoxy)quinazolin-4-yl)-2,5-dimethylpiperazin-1-yl)prop-2-en-1-one × 1 GOL GLYCEROL × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；25-29% PEG4000, 0.2 M CaCl2, 0.1 M Tris pH 8.5
Resolution 1.50 Å R-free 0.269
10NU Structure of kRas G12C bound to Inhibitor 13ab Deposited 2026-01-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12C; C51S; C80L; C118S CA CALCIUM ION × 2 A1C6Y 1-((2R,5S)-4-((S)-6-chloro-7-(1,6-dimethyl-1H-indazol-7-yl)-8-fluoro-2-(((S)-1-methylpyrrolidin-2-yl)methoxy)quinazolin-4-yl)-2,5-dimethylpiperazin-1-yl)prop-2-en-1-one × 1 GOL GLYCEROL × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；25-29% PEG4000, 0.2 M CaCl2, 0.1 M Tris pH 8.5
Resolution 1.50 Å R-free 0.269
10NV Structure of kRas G12C Bound to Inhibitor 13ba Deposited 2026-01-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12C; C51S; C80L; C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 A1C60 4-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-7-(1,6-dimethyl-1H-indazol-7-yl)-8-fluoro-2-(((S)-1-methylpyrrolidin-2-yl)methoxy)quinazoline-6-carbonitrile × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；293 K；25-29% PEG4000, 0.2 M CaCl2, 0.1 M Tris pH 8.5
Resolution 1.52 Å R-free 0.203
10NV Structure of kRas G12C Bound to Inhibitor 13ba Deposited 2026-01-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12C; C51S; C80L; C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 A1C60 4-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-7-(1,6-dimethyl-1H-indazol-7-yl)-8-fluoro-2-(((S)-1-methylpyrrolidin-2-yl)methoxy)quinazoline-6-carbonitrile × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；293 K；25-29% PEG4000, 0.2 M CaCl2, 0.1 M Tris pH 8.5
Resolution 1.52 Å R-free 0.203
11QE Crystal structure of GDP-bound KRAS G12D/I55E: Suppressing G12D oncogenicity via second-site I55E mutation Deposited 2026-03-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D, I55E GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.2 M (NH4)2SO4; 0.2 K Acetate
Resolution 1.23 Å R-free 0.203
1D8D CO-CRYSTAL STRUCTURE OF RAT PROTEIN FARNESYLTRANSFERASE COMPLEXED WITH A K-RAS4B PEPTIDE SUBSTRATE AND FPP ANALOG AT 2.0A RESOLUTION Deposited 1999-10-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain P 178–188（11 aa）
Not recorded ZN ZINC ION × 1 ACT ACETATE ION × 4 FII [(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；290 K；Peg 8000, ammonium acetate, DTT, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.00 Å R-free 0.200
1D8E Zinc-depleted FTase complexed with K-RAS4B peptide substrate and FPP analog. Deposited 1999-10-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain P 178–188（11 aa）
Not recorded ACT ACETATE ION × 1 FII [(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；290 K；Peg 8000, ammonium acetate, DTT , pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 3.00 Å R-free 0.249
24HR Human KRAS G12D (GDP-bound) in complex with macrocyclic peptide inhibitor AP6252 Deposited 2026-03-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–174（173 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 7 FMT FORMIC ACID × 9 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；4.0M Sodium formate
Resolution 2.07 Å R-free 0.270
24HR Human KRAS G12D (GDP-bound) in complex with macrocyclic peptide inhibitor AP6252 Deposited 2026-03-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2–174（173 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 4 FMT FORMIC ACID × 9 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；4.0M Sodium formate
Resolution 2.07 Å R-free 0.270
24HR Human KRAS G12D (GDP-bound) in complex with macrocyclic peptide inhibitor AP6252 Deposited 2026-03-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 2–174（173 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 FMT FORMIC ACID × 4 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；4.0M Sodium formate
Resolution 2.07 Å R-free 0.270
24HR Human KRAS G12D (GDP-bound) in complex with macrocyclic peptide inhibitor AP6252 Deposited 2026-03-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2–174（173 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；4.0M Sodium formate
Resolution 2.07 Å R-free 0.270
24HS Human KRAS G12D (GDP-bound) in complex with macrocyclic peptide inhibitor AP4959 Deposited 2026-03-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–174（173 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 3 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；60.0% v/v Tacsimate
Resolution 2.53 Å R-free 0.290
24HS Human KRAS G12D (GDP-bound) in complex with macrocyclic peptide inhibitor AP4959 Deposited 2026-03-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2–174（173 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 3 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；60.0% v/v Tacsimate
Resolution 2.53 Å R-free 0.290
24HS Human KRAS G12D (GDP-bound) in complex with macrocyclic peptide inhibitor AP4959 Deposited 2026-03-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 2–174（173 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 2 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；60.0% v/v Tacsimate
Resolution 2.53 Å R-free 0.290
24HS Human KRAS G12D (GDP-bound) in complex with macrocyclic peptide inhibitor AP4959 Deposited 2026-03-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2–174（173 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；60.0% v/v Tacsimate
Resolution 2.53 Å R-free 0.290
24HS Human KRAS G12D (GDP-bound) in complex with macrocyclic peptide inhibitor AP4959 Deposited 2026-03-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 2–174（173 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；60.0% v/v Tacsimate
Resolution 2.53 Å R-free 0.290
24HS Human KRAS G12D (GDP-bound) in complex with macrocyclic peptide inhibitor AP4959 Deposited 2026-03-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 2–174（173 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；60.0% v/v Tacsimate
Resolution 2.53 Å R-free 0.290
24HS Human KRAS G12D (GDP-bound) in complex with macrocyclic peptide inhibitor AP4959 Deposited 2026-03-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 7 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 2–174（173 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；60.0% v/v Tacsimate
Resolution 2.53 Å R-free 0.290
24HS Human KRAS G12D (GDP-bound) in complex with macrocyclic peptide inhibitor AP4959 Deposited 2026-03-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 2–174（173 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；60.0% v/v Tacsimate
Resolution 2.53 Å R-free 0.290
24HT Human KRAS G12D (GDP-bound) in complex with macrocyclic peptide inhibitor AP2527 Deposited 2026-03-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–174（173 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 6 ACY ACETIC ACID × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；293 K；0.1M Sodium acetate trihydrate (pH 4.6), 8.0 %w/v Polyethylene glycol 4000
Resolution 1.70 Å R-free 0.239
2MSC NMR data-driven model of GTPase KRas-GDP tethered to a lipid-bilayer nanodisc Deposited 2014-07-29 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–185（185 aa） Fragment：UNP residues 1-185
Not recorded PCW 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE × 64 17F O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine × 16 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 SOLUTION NMR
NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 0.105；Pressure ambient
NMR sample composition 20 mM TRIS-1, 100 mM sodium chloride-2, 2 mM TCEP-3, 5 mM MgCl2-4, 0.6 mM U-15N, Ile C-delta-13C K-Ras-5, 0.6 mM membrane scaffold protein-6, 0.6 mM GUANOSINE-5'-DIPHOSPHATE-7, 18.75 mM 1,2-dioleoyl-sn-glycero-3-phosphocholine-8, 5 mM 1,2-dioleoyl-sn-glycero-3-phospho-L-serine-9, 1.25 mM 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine-N-[4-(p-maleimidomethyl)cyclohexane-carboxamide]-10, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 20 mM TRIS-11, 100 mM sodium chloride-12, 2 mM TCEP-13, 5 mM Magnesium-14, 0.6 mM U-15N, Ile C-delta-13C K-Ras-15, 0.6 mM membrane scaffold protein-16, 0.6 mM GUANOSINE-5'-DIPHOSPHATE-17, 18.75 mM 1,2-dioleoyl-sn-glycero-3-phosphocholine-18, 5 mM 1,2-dioleoyl-sn-glycero-3-phospho-L-serine-19, 1.25 mM 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine-N-[4-(p-maleimidomethyl)cyclohexane-carboxamide]-20, 0.65 mM 1,2-distearoyl-sn-glycero-3-phosphoethanolamine-N-diethylenetriaminepentaacetic acid (gadolinium salt)-21, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2MSD NMR data-driven model of GTPase KRas-GNP tethered to a lipid-bilayer nanodisc Deposited 2014-07-29 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–185（185 aa） Fragment：UNP RESIDUES 1-185
Not recorded PCW 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE × 64 17F O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine × 16 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 SOLUTION NMR
NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 0.105；Pressure ambient
NMR sample composition 0.6 mM U-15N, Ile C-delta-13C K-Ras-1, 0.6 mM membrane scaffold protein-2, 20 mM TRIS-3, 100 mM sodium chloride-4, 2 mM TCEP-5, 0.6 mM PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER-6, 5 mM Magnesium-7, 18.75 mM 1,2-dioleoyl-sn-glycero-3-phosphocholine-8, 5 mM 1,2-dioleoyl-sn-glycero-3-phospho-L-serine-9, 1.25 mM 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine-N-[4-(p-maleimidomethyl)cyclohexane-carboxamide]-10, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.6 mM U-15N, Ile C-delta-13C K-Ras-11, 0.6 mM membrane scaffold protein-12, 20 mM TRIS-13, 100 mM sodium chloride-14, 5 mM Magnesium-15, 0.6 mM PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER-16, 2 mM TCEP-17, 18.75 mM 1,2-dioleoyl-sn-glycero-3-phosphocholine-18, 5 mM 1,2-dioleoyl-sn-glycero-3-phospho-L-serine-19, 1.25 mM 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine-N-[4-(p-maleimidomethyl)cyclohexane-carboxamide]-20, 0.65 mM 1,2-distearoyl-sn-glycero-3-phosphoethanolamine-N-diethylenetriaminepentaacetic acid (gadolinium salt)-21, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2MSE NMR data-driven model of GTPase KRas-GNP:ARafRBD complex tethered to a lipid-bilayer nanodisc Deposited 2014-07-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 1–185（185 aa） Fragment：UNP residues 1-185
Not recorded PCW 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE × 64 17F O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine × 16 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 SOLUTION NMR
NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 0.105；Pressure ambient
NMR sample composition 0.6 mM U-15N, Ile C-delta-13C K-Ras-1, 0.6 mM membrane scaffold protein-2, 0.7 mM A-RafRBD-3, 100 mM sodium chloride-4, 5 mM Magnesium-5, 20 mM TRIS-6, 2 mM TCEP-7, 0.6 mM PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER-8, 18.75 mM 1,2-dioleoyl-sn-glycero-3-phosphocholine-9, 5 mM 1,2-dioleoyl-sn-glycero-3-phospho-L-serine-10, 1.25 mM 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine-N-[4-(p-maleimidomethyl)cyclohexane-carboxamide]-11, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.7 mM K-Ras-12, 0.7 mM membrane scaffold protein-13, 0.6 mM U-15N, Ile C-delta-13C A-RafRBD-14, 5 mM Magnesium-15, 20 mM TRIS-16, 100 mM sodium chloride-17, 2 mM TCEP-18, 0.7 mM PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER-19, 18.75 mM 1,2-dioleoyl-sn-glycero-3-phosphocholine-20, 5 mM 1,2-dioleoyl-sn-glycero-3-phospho-L-serine-21, 1.25 mM 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine-N-[4-(p-maleimidomethyl)cyclohexane-carboxamide]-22, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.6 mM U-15N, Ile C-delta-13C K-Ras-23, 0.7 mM A-RafRBD-24, 0.6 mM membrane scaffold protein-25, 20 mM TRIS-26, 100 mM sodium chloride-27, 5 mM Magnesium-28, 2 mM TCEP-29, 0.6 mM PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER-30, 18.75 mM 1,2-dioleoyl-sn-glycero-3-phosphocholine-31, 5 mM 1,2-dioleoyl-sn-glycero-3-phospho-L-serine-32, 1.25 mM 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine-N-[4-(p-maleimidomethyl)cyclohexane-carboxamide]-33, 0.65 mM 1,2-distearoyl-sn-glycero-3-phosphoethanolamine-N-diethylenetriaminepentaacetic acid (gadolinium salt)-34, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.7 mM K-Ras-35, 0.6 mM U-15N, Ile C-delta-13C A-RafRBD-36, 0.7 mM membrane scaffold protein-37, 20 mM TRIS-38, 100 mM sodium chloride-39, 5 mM Magnesium-40, 2 mM TCEP-41, 0.7 mM PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER-42, 18.75 mM 1,2-dioleoyl-sn-glycero-3-phosphocholine-43, 5 mM 1,2-dioleoyl-sn-glycero-3-phospho-L-serine-44, 1.25 mM 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine-N-[4-(p-maleimidomethyl)cyclohexane-carboxamide]-45, 0.65 mM 1,2-distearoyl-sn-glycero-3-phosphoethanolamine-N-diethylenetriaminepentaacetic acid (gadolinium salt)-46, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
3GFT Human K-Ras (Q61H) in complex with a GTP analogue Deposited 2009-02-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：Isoform 2, residues 1-169
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 UNX UNKNOWN LIGAND × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4.5；291 K；20% PEG 3350, 0.2M Lithium citrate, pH 4.5, VAPOR DIFFUSION, temperature 291K
Resolution 2.27 Å R-free 0.267
3GFT Human K-Ras (Q61H) in complex with a GTP analogue Deposited 2009-02-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：Isoform 2, residues 1-169
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4.5；291 K；20% PEG 3350, 0.2M Lithium citrate, pH 4.5, VAPOR DIFFUSION, temperature 291K
Resolution 2.27 Å R-free 0.267
3GFT Human K-Ras (Q61H) in complex with a GTP analogue Deposited 2009-02-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa） Fragment：Isoform 2, residues 1-169
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4.5；291 K；20% PEG 3350, 0.2M Lithium citrate, pH 4.5, VAPOR DIFFUSION, temperature 291K
Resolution 2.27 Å R-free 0.267
3GFT Human K-Ras (Q61H) in complex with a GTP analogue Deposited 2009-02-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–169（169 aa） Fragment：Isoform 2, residues 1-169
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4.5；291 K；20% PEG 3350, 0.2M Lithium citrate, pH 4.5, VAPOR DIFFUSION, temperature 291K
Resolution 2.27 Å R-free 0.267
3GFT Human K-Ras (Q61H) in complex with a GTP analogue Deposited 2009-02-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 1–169（169 aa） Fragment：Isoform 2, residues 1-169
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4.5；291 K；20% PEG 3350, 0.2M Lithium citrate, pH 4.5, VAPOR DIFFUSION, temperature 291K
Resolution 2.27 Å R-free 0.267
3GFT Human K-Ras (Q61H) in complex with a GTP analogue Deposited 2009-02-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 1–169（169 aa） Fragment：Isoform 2, residues 1-169
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4.5；291 K；20% PEG 3350, 0.2M Lithium citrate, pH 4.5, VAPOR DIFFUSION, temperature 291K
Resolution 2.27 Å R-free 0.267
4DSN Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity Deposited 2012-02-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–188（187 aa）
Mutation：G12D GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 MG MAGNESIUM ION × 2 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.2 uL + 0.2 uL drops containing 40 mg/mL KRas, 0.1 M TrisCl, 25% polyethylene glycol 4000, 0.2 M NaOAc, 2% benzamidine-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.03 Å R-free 0.206
4DSO Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity Deposited 2012-02-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–188（187 aa）
Mutation：G12D GSP 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE × 1 MG MAGNESIUM ION × 1 BEN BENZAMIDINE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.2 uL + 0.2 uL drops containing 40 mg/mL KRas, 0.1 M TrisCl, 25% polyethylene glycol 4000, 0.2 M NaOAc, 2% benzamidine-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.85 Å R-free 0.207
4DST Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity Deposited 2012-02-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–188（187 aa）
Mutation：G12D 9LI 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine × 1 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 MG MAGNESIUM ION × 2 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 1 DMS DIMETHYL SULFOXIDE × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.2 uL + 0.2 uL drops containing 40 mg/mL KRas, 0.1 M TrisCl, 25% polyethylene glycol 4000, 0.2 M NaOAc, 2% benzamidine-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.30 Å R-free 0.209
4DSU Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity Deposited 2012-02-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–188（187 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 BZI BENZIMIDAZOLE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.2 uL + 0.2 uL drops containing 40 mg/mL KRas, 0.1 M TrisCl, 25% polyethylene glycol 4000, 0.2 M NaOAc, 2% benzamidine-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.70 Å R-free 0.203
4EPR Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation. Deposited 2012-04-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；291 K；30% PEG4000, 0.1 M sodium phosphate, 0.2 M Li2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.00 Å R-free 0.253
4EPT Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation Deposited 2012-04-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：Catalytic
Mutation：C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 0QW (2-hydroxyphenyl)(pyrrolidin-1-yl)methanethione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；30% PEG8000, 0.1 M MES, 0.2 M sodium acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.00 Å R-free 0.274
4EPV Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation Deposited 2012-04-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 0QX 2-(1H-indol-3-ylmethyl)-1H-imidazo[4,5-c]pyridine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；291 K；25% PEG1500, 0.1 M MMT, pH 4, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.35 Å R-free 0.194
4EPW Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation Deposited 2012-04-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：Catalytic
Mutation：C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 0QV (4-hydroxypiperidin-1-yl)(1H-indol-3-yl)methanethione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；32% PEG1500, 0.7% 1-Butanol, pH 6.1-8.7, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.70 Å R-free 0.240
4EPX Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation Deposited 2012-04-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12V, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 0QR N-(6-aminopyridin-2-yl)-4-fluorobenzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；291 K；28% PEG8000, 0.1 M sodium acetate, 5% DMSO, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.76 Å R-free 0.201
4EPY Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation Deposited 2012-04-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12V, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 0QY N-[2-(1H-indol-3-ylmethyl)-1H-benzimidazol-5-yl]-L-prolinamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4；291 K；28% PEG4000, 0.1 M MMT, 0.2 M ammonium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.80 Å R-free 0.199
4L8G Crystal Structure of K-Ras G12C, GDP-bound Deposited 2013-06-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；21% PEG3350, 0.2M CaCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.52 Å R-free 0.180
4LDJ Crystal Structure of a GDP-bound G12C Oncogenic Mutant of Human GTPase KRas Deposited 2013-06-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.2M Sodium Acetate pH4.5, 0.1M Tris pH 8.5, 28% PEG 3350, Vapor Diffusion, Hanging Drop, temperature 293K, VAPOR DIFFUSION, HANGING DROP
Resolution 1.15 Å R-free 0.162
4LPK Crystal Structure of K-Ras WT, GDP-bound Deposited 2013-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；19% PEG3350, 0.2M CaCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.50 Å R-free 0.192
4LPK Crystal Structure of K-Ras WT, GDP-bound Deposited 2013-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；19% PEG3350, 0.2M CaCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.50 Å R-free 0.192
4LRW Crystal Structure of K-Ras G12C (cysteine-light), GDP-bound Deposited 2013-07-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Chain B 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded MG MAGNESIUM ION × 4 GDP GUANOSINE-5'-DIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；30% PEG4000, 0.2M MgSO4, 0.1M TRIS, pH 8.0, vapor diffusion, hanging drop, temperature 293K
Resolution 2.15 Å R-free 0.204
4LRW Crystal Structure of K-Ras G12C (cysteine-light), GDP-bound Deposited 2013-07-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded MG MAGNESIUM ION × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；30% PEG4000, 0.2M MgSO4, 0.1M TRIS, pH 8.0, vapor diffusion, hanging drop, temperature 293K
Resolution 2.15 Å R-free 0.204
4LRW Crystal Structure of K-Ras G12C (cysteine-light), GDP-bound Deposited 2013-07-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded MG MAGNESIUM ION × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；30% PEG4000, 0.2M MgSO4, 0.1M TRIS, pH 8.0, vapor diffusion, hanging drop, temperature 293K
Resolution 2.15 Å R-free 0.204
4LUC Crystal Structure of small molecule disulfide 6 bound to K-Ras G12C Deposited 2013-07-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Chain B 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded CA CALCIUM ION × 4 20G N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}-4-sulfanylbutanamide × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；25% PEG8000, 0.1M CaCl2, 0.1M TRIS, pH 7.5, vapor diffusion, hanging drop, temperature 293K
Resolution 1.29 Å R-free 0.169
4LV6 Crystal Structure of small molecule disulfide 4 covalently bound to K-Ras G12C Deposited 2013-07-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Chain B 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded CA CALCIUM ION × 4 20H 1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；22% PEG8000, 0.1M CaCl2, 0.1M TRIS, pH 7.5, vapor diffusion, hanging drop, temperature 293K
Resolution 1.50 Å R-free 0.187
4LV6 Crystal Structure of small molecule disulfide 4 covalently bound to K-Ras G12C Deposited 2013-07-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded CA CALCIUM ION × 2 20H 1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；22% PEG8000, 0.1M CaCl2, 0.1M TRIS, pH 7.5, vapor diffusion, hanging drop, temperature 293K
Resolution 1.50 Å R-free 0.187
4LV6 Crystal Structure of small molecule disulfide 4 covalently bound to K-Ras G12C Deposited 2013-07-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded CA CALCIUM ION × 2 20H 1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；22% PEG8000, 0.1M CaCl2, 0.1M TRIS, pH 7.5, vapor diffusion, hanging drop, temperature 293K
Resolution 1.50 Å R-free 0.187
4LYF Crystal Structure of small molecule vinylsulfonamide 8 covalently bound to K-Ras G12C Deposited 2013-07-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Chain B 1–169（169 aa） Fragment：UNP residues 1-169
Chain C 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 3 21C N-{1-[N-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；31% PEG4000, 0.2M NH4CH3COO, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.57 Å R-free 0.192
4LYH Crystal Structure of small molecule vinylsulfonamide 9 covalently bound to K-Ras G12C Deposited 2013-07-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Chain B 1–169（169 aa） Fragment：UNP residues 1-169
Chain C 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded SO4 SULFATE ION × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 3 21F N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.9M (NH4)2SO4, 0.2M NaCl, 0.1M Na-cacodylate, pH 6.5, vapor diffusion, hanging drop, temperature 293K
Resolution 1.37 Å R-free 0.188
4LYH Crystal Structure of small molecule vinylsulfonamide 9 covalently bound to K-Ras G12C Deposited 2013-07-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded SO4 SULFATE ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.9M (NH4)2SO4, 0.2M NaCl, 0.1M Na-cacodylate, pH 6.5, vapor diffusion, hanging drop, temperature 293K
Resolution 1.37 Å R-free 0.188
4LYH Crystal Structure of small molecule vinylsulfonamide 9 covalently bound to K-Ras G12C Deposited 2013-07-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 21F N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.9M (NH4)2SO4, 0.2M NaCl, 0.1M Na-cacodylate, pH 6.5, vapor diffusion, hanging drop, temperature 293K
Resolution 1.37 Å R-free 0.188
4LYH Crystal Structure of small molecule vinylsulfonamide 9 covalently bound to K-Ras G12C Deposited 2013-07-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded SO4 SULFATE ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 21F N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.9M (NH4)2SO4, 0.2M NaCl, 0.1M Na-cacodylate, pH 6.5, vapor diffusion, hanging drop, temperature 293K
Resolution 1.37 Å R-free 0.188
4LYJ Crystal Structure of small molecule vinylsulfonamide 9 covalently bound to K-Ras G12C, alternative space group Deposited 2013-07-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded MG MAGNESIUM ION × 1 21F N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；30% PEG4000, 0.2M NH4CH3COO, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.93 Å R-free 0.207
4M1O Crystal Structure of small molecule vinylsulfonamide 7 covalently bound to K-Ras G12C Deposited 2013-08-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；31% PEG4000, 0.2M NH4CH3COO, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.57 Å R-free 0.202
4M1O Crystal Structure of small molecule vinylsulfonamide 7 covalently bound to K-Ras G12C Deposited 2013-08-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 21J N-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；31% PEG4000, 0.2M NH4CH3COO, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.57 Å R-free 0.202
4M1O Crystal Structure of small molecule vinylsulfonamide 7 covalently bound to K-Ras G12C Deposited 2013-08-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；31% PEG4000, 0.2M NH4CH3COO, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.57 Å R-free 0.202
4M1S Crystal Structure of small molecule vinylsulfonamide 13 covalently bound to K-Ras G12C Deposited 2013-08-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；32% PEG4000, 0.2M NH4CH3COO, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.55 Å R-free 0.197
4M1S Crystal Structure of small molecule vinylsulfonamide 13 covalently bound to K-Ras G12C Deposited 2013-08-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 21K N-{1-[N-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；32% PEG4000, 0.2M NH4CH3COO, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.55 Å R-free 0.197
4M1S Crystal Structure of small molecule vinylsulfonamide 13 covalently bound to K-Ras G12C Deposited 2013-08-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；32% PEG4000, 0.2M NH4CH3COO, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.55 Å R-free 0.197
4M1T Crystal Structure of small molecule vinylsulfonamide 14 covalently bound to K-Ras G12C Deposited 2013-08-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；30% PEG4000, 0.2M NH4CH3COO, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.70 Å R-free 0.202
4M1T Crystal Structure of small molecule vinylsulfonamide 14 covalently bound to K-Ras G12C Deposited 2013-08-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 21M N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；30% PEG4000, 0.2M NH4CH3COO, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.70 Å R-free 0.202
4M1T Crystal Structure of small molecule vinylsulfonamide 14 covalently bound to K-Ras G12C Deposited 2013-08-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；30% PEG4000, 0.2M NH4CH3COO, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.70 Å R-free 0.202
4M1W Crystal Structure of small molecule vinylsulfonamide covalently bound to K-Ras G12C Deposited 2013-08-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded MG MAGNESIUM ION × 1 21R N-{1-[N-(4,5-dichloro-2-ethylphenyl)glycyl]piperidin-4-yl}ethanesulfonamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；31% PEG4000, 0.2M NH4CH3COO, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.58 Å R-free 0.190
4M1W Crystal Structure of small molecule vinylsulfonamide covalently bound to K-Ras G12C Deposited 2013-08-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded 21R N-{1-[N-(4,5-dichloro-2-ethylphenyl)glycyl]piperidin-4-yl}ethanesulfonamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；31% PEG4000, 0.2M NH4CH3COO, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.58 Å R-free 0.190
4M1W Crystal Structure of small molecule vinylsulfonamide covalently bound to K-Ras G12C Deposited 2013-08-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded 21R N-{1-[N-(4,5-dichloro-2-ethylphenyl)glycyl]piperidin-4-yl}ethanesulfonamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；31% PEG4000, 0.2M NH4CH3COO, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.58 Å R-free 0.190
4M1Y Crystal Structure of small molecule vinylsulfonamide 15 covalently bound to K-Ras G12C Deposited 2013-08-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；31% PEG4000, 0.2M NH4CH3COO, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.49 Å R-free 0.191
4M1Y Crystal Structure of small molecule vinylsulfonamide 15 covalently bound to K-Ras G12C Deposited 2013-08-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 21S N-{1-[N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；31% PEG4000, 0.2M NH4CH3COO, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.49 Å R-free 0.191
4M1Y Crystal Structure of small molecule vinylsulfonamide 15 covalently bound to K-Ras G12C Deposited 2013-08-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；31% PEG4000, 0.2M NH4CH3COO, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.49 Å R-free 0.191
4M21 Crystal Structure of small molecule acrylamide 11 covalently bound to K-Ras G12C Deposited 2013-08-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；29% PEG4000, 0.2M NH4CH3COO, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.94 Å R-free 0.226
4M21 Crystal Structure of small molecule acrylamide 11 covalently bound to K-Ras G12C Deposited 2013-08-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 21Y 1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；29% PEG4000, 0.2M NH4CH3COO, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.94 Å R-free 0.226
4M21 Crystal Structure of small molecule acrylamide 11 covalently bound to K-Ras G12C Deposited 2013-08-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；29% PEG4000, 0.2M NH4CH3COO, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 293K
Resolution 1.94 Å R-free 0.226
4M22 Crystal Structure of small molecule acrylamide 16 covalently bound to K-Ras G12C Deposited 2013-08-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；31% PEG3000, 0.2M NaCl, 0.1M TRIS, pH 7.0, vapor diffusion, hanging drop, temperature 293K
Resolution 2.09 Å R-free 0.216
4M22 Crystal Structure of small molecule acrylamide 16 covalently bound to K-Ras G12C Deposited 2013-08-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 22C 1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；31% PEG3000, 0.2M NaCl, 0.1M TRIS, pH 7.0, vapor diffusion, hanging drop, temperature 293K
Resolution 2.09 Å R-free 0.216
4M22 Crystal Structure of small molecule acrylamide 16 covalently bound to K-Ras G12C Deposited 2013-08-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 22C 1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；31% PEG3000, 0.2M NaCl, 0.1M TRIS, pH 7.0, vapor diffusion, hanging drop, temperature 293K
Resolution 2.09 Å R-free 0.216
4NMM Crystal Structure of a G12C Oncogenic Variant of Human KRas Bound to a Novel GDP Competitive Covalent Inhibitor Deposited 2013-11-15 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Mutation：G12C MG MAGNESIUM ION × 1 Y9Z 5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4；277 K；0.2M MMT pH4.0, 28% PEG 6,000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.89 Å R-free 0.237
4OBE Crystal Structure of GDP-bound Human KRas Deposited 2014-01-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.2M Sodium Acetate pH4.5, 0.1M Tris pH 8.5, 26% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.24 Å R-free 0.169
4OBE Crystal Structure of GDP-bound Human KRas Deposited 2014-01-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：UNP residues 1-169
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.2M Sodium Acetate pH4.5, 0.1M Tris pH 8.5, 26% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.24 Å R-free 0.169
4PZY Second-site screening of K-Ras in the presence of covalently attached first-site ligands Deposited 2014-03-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Chain B 1–169（169 aa）
Mutation：G12V, Q70C, C118S Mutation：G12V, Q70C, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 2 MG MAGNESIUM ION × 2 2XR 2-chloro-1-(1H-indol-3-yl)ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；30% PEG MME 2000, 0.1M KSCN, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.88 Å R-free 0.238
4PZY Second-site screening of K-Ras in the presence of covalently attached first-site ligands Deposited 2014-03-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12V, Q70C, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；30% PEG MME 2000, 0.1M KSCN, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.88 Å R-free 0.238
4PZY Second-site screening of K-Ras in the presence of covalently attached first-site ligands Deposited 2014-03-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12V, Q70C, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 2XR 2-chloro-1-(1H-indol-3-yl)ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；30% PEG MME 2000, 0.1M KSCN, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.88 Å R-free 0.238
4PZZ Second-site screening of K-Ras in the presence of covalently attached first-site ligands Deposited 2014-03-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12V, S39C, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 2XO 1H-benzimidazol-2-ylmethanethiol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；24% PEG 4000, 0.1 M MMT pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.40 Å R-free 0.156
4Q01 Second-site screening of K-Ras in the presence of covalently attached first-site ligands Deposited 2014-03-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12V, S39C, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 2XH naphthalene-1-thiol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；22% PEG 4000, 0.1 M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.29 Å R-free 0.213
4Q01 Second-site screening of K-Ras in the presence of covalently attached first-site ligands Deposited 2014-03-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12V, S39C, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 2XH naphthalene-1-thiol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；22% PEG 4000, 0.1 M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.29 Å R-free 0.213
4Q02 Second-site screening of K-Ras in the presence of covalently attached first-site ligands Deposited 2014-03-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12V, S39C, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 2XG 3,4-difluorobenzenethiol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；28% PEG 4000, 0.1 M sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.70 Å R-free 0.196
4Q03 Second-site screening of K-Ras in the presence of covalently attached first-site ligands Deposited 2014-03-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12V, S39C, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 2XE 4-bromobenzenethiol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；24% PEG 4000, 0.1 M MMT, pH4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.20 Å R-free 0.188
4QL3 Crystal Structure of a GDP-bound G12R Oncogenic Mutant of Human GTPase KRas Deposited 2014-06-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12R GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.2M Sodium Acetate pH4.5, 0.1M Tris pH 8.5, 28% PEG 3,350, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.04 Å R-free 0.162
4TQ9 Crystal Structure of a GDP-bound G12V Oncogenic Mutant of Human GTPase KRas Deposited 2014-06-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–168（168 aa） Fragment：UNP residues 1-168
Mutation：G12V GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.2M Sodium Acetate pH4.5, 0.1M Tris pH 8.5, 24% PEG 3,350
Resolution 1.49 Å R-free 0.194
4TQ9 Crystal Structure of a GDP-bound G12V Oncogenic Mutant of Human GTPase KRas Deposited 2014-06-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–168（168 aa） Fragment：UNP residues 1-168
Mutation：G12V GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.2M Sodium Acetate pH4.5, 0.1M Tris pH 8.5, 24% PEG 3,350
Resolution 1.49 Å R-free 0.194
4TQA Crystal Structure of a GDP-bound G13D Oncogenic Mutant of Human GTPase KRas Deposited 2014-06-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–168（168 aa） Fragment：UNP residues 1-168
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.2M Sodium Acetate pH4.5, 0.1M Tris pH 8.5, 26% PEG 3,350
Resolution 1.13 Å R-free 0.169
4TQA Crystal Structure of a GDP-bound G13D Oncogenic Mutant of Human GTPase KRas Deposited 2014-06-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–168（168 aa） Fragment：UNP residues 1-168
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.2M Sodium Acetate pH4.5, 0.1M Tris pH 8.5, 26% PEG 3,350
Resolution 1.13 Å R-free 0.169
4WA7 Crystal Structure of a GDP-bound Q61L Oncogenic Mutant of Human GT- Pase KRas Deposited 2014-08-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：Q61L GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1M MMT pH 4.0, 24% PEG6000
Resolution 1.99 Å R-free 0.233
5F2E Crystal Structure of small molecule ARS-853 covalently bound to K-Ras G12C Deposited 2015-12-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：GTPase domain
Mutation：G12C, C51S, C80L, C118S, R151G, E153D, Q165K, Y166H, R167K, L168E MG MAGNESIUM ION × 1 GOL GLYCEROL × 2 5UT 1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one × 1 GLY GLYCINE × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 10.5；293 K；2.2 M 3:2 NaH2PO4/K2HPO4, 0.2 M Li2SO4, 0.1 M glycine pH=10.5
Resolution 1.40 Å R-free 0.176
5KYK Covalent GTP-competitive inhibitors of KRAS G12C: Guanosine bisphosphonate Analogs Deposited 2016-07-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–168（168 aa） Fragment：UNP residues 1-168
Not recorded 6ZD 5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；293 K；Protein was purified in buffer: 20 mM Hepes pH 8.0, 150 mM NaCl, 5 mM MgCl2 and 0.5 mM DTT. Crystals grew in five days at room temperature from hanging vapor diffusion drops with following condition: 0.1 M Citric acid pH 4.0, 20% PEG 3350. Crystals were cryoprotected in mother liquid with 40% PEG 3350 and flash frozen in liquid nitrogen.
Resolution 2.70 Å R-free 0.314
5KYK Covalent GTP-competitive inhibitors of KRAS G12C: Guanosine bisphosphonate Analogs Deposited 2016-07-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–168（168 aa） Fragment：UNP residues 1-168
Not recorded 6ZD 5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；293 K；Protein was purified in buffer: 20 mM Hepes pH 8.0, 150 mM NaCl, 5 mM MgCl2 and 0.5 mM DTT. Crystals grew in five days at room temperature from hanging vapor diffusion drops with following condition: 0.1 M Citric acid pH 4.0, 20% PEG 3350. Crystals were cryoprotected in mother liquid with 40% PEG 3350 and flash frozen in liquid nitrogen.
Resolution 2.70 Å R-free 0.314
5KYK Covalent GTP-competitive inhibitors of KRAS G12C: Guanosine bisphosphonate Analogs Deposited 2016-07-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–168（168 aa） Fragment：UNP residues 1-168
Not recorded 6ZD 5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；293 K；Protein was purified in buffer: 20 mM Hepes pH 8.0, 150 mM NaCl, 5 mM MgCl2 and 0.5 mM DTT. Crystals grew in five days at room temperature from hanging vapor diffusion drops with following condition: 0.1 M Citric acid pH 4.0, 20% PEG 3350. Crystals were cryoprotected in mother liquid with 40% PEG 3350 and flash frozen in liquid nitrogen.
Resolution 2.70 Å R-free 0.314
5MLA Crystal structure of human RAS in complex with darpin K55 Deposited 2016-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–166（166 aa）
Not recorded MG MAGNESIUM ION × 1 GSP 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；18% PEG8000, 200mM Calcium Acetate, 100mM Sodium Cacodylate pH6.5
Resolution 2.19 Å R-free 0.229
5MLB Crystal structure of human RAS in complex with darpin K27 Deposited 2016-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–166（166 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；30% PEGMME 2000, 299mM Calcium Acetate, 100mM Sodium Cacodylate pH 6.5
Resolution 3.22 Å R-free 0.235
5MLB Crystal structure of human RAS in complex with darpin K27 Deposited 2016-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–166（166 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；30% PEGMME 2000, 299mM Calcium Acetate, 100mM Sodium Cacodylate pH 6.5
Resolution 3.22 Å R-free 0.235
5MLB Crystal structure of human RAS in complex with darpin K27 Deposited 2016-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–166（166 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；30% PEGMME 2000, 299mM Calcium Acetate, 100mM Sodium Cacodylate pH 6.5
Resolution 3.22 Å R-free 0.235
5MLB Crystal structure of human RAS in complex with darpin K27 Deposited 2016-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 1–166（166 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；30% PEGMME 2000, 299mM Calcium Acetate, 100mM Sodium Cacodylate pH 6.5
Resolution 3.22 Å R-free 0.235
5O2S Human KRAS in complex with darpin K27 Deposited 2017-05-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–166（166 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；30% (w/v) PEG-MME 2000, 200mM ammonium sulphate, 100mM sodium citrate pH 5.6
Resolution 3.22 Å R-free 0.235
5O2S Human KRAS in complex with darpin K27 Deposited 2017-05-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–166（166 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；30% (w/v) PEG-MME 2000, 200mM ammonium sulphate, 100mM sodium citrate pH 5.6
Resolution 3.22 Å R-free 0.235
5O2S Human KRAS in complex with darpin K27 Deposited 2017-05-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–166（166 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；30% (w/v) PEG-MME 2000, 200mM ammonium sulphate, 100mM sodium citrate pH 5.6
Resolution 3.22 Å R-free 0.235
5O2S Human KRAS in complex with darpin K27 Deposited 2017-05-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 1–166（166 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；30% (w/v) PEG-MME 2000, 200mM ammonium sulphate, 100mM sodium citrate pH 5.6
Resolution 3.22 Å R-free 0.235
5O2T Human KRAS in complex with darpin K27 Deposited 2017-05-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–166（166 aa）
Not recorded MG MAGNESIUM ION × 1 GSP 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；18% (w/v) PEG8000, 200mM calcium acetate, 100mM sodium cacodylate pH 6.5
Resolution 2.19 Å R-free 0.229
5OCG Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method. Deposited 2017-06-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–188（187 aa）
Not recorded MG MAGNESIUM ION × 2 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 9R5 [(2~{R})-6-chloranyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine × 1 GOL GLYCEROL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M TrisCl pH 8.0, 0.2 M NaOAc and 30-36 % PEG 4000
Resolution 1.48 Å R-free 0.204
5OCO Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method. Deposited 2017-07-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 1–169（169 aa）
Chain B 1–169（169 aa）
Chain C 1–169（169 aa）
Chain D 1–169（169 aa）
Chain E 1–169（169 aa）
Chain F 1–169（169 aa）
Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 6 9RK ~{N}-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]furan-2-carboxamide × 5 PEG DI(HYDROXYETHYL)ETHER × 1 MG MAGNESIUM ION × 6 CIT CITRIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；8-15% w/v Polyethylene Glycol 3350 and 0.2 M lithium citrate
Resolution 1.66 Å R-free 0.205
5OCT Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method. Deposited 2017-07-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 1–169（169 aa）
Chain B 1–169（169 aa）
Chain C 1–169（169 aa）
Chain D 1–169（169 aa）
Chain E 1–169（169 aa）
Chain F 1–169（169 aa）
Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 6 9R5 [(2~{R})-6-chloranyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine × 9 PEG DI(HYDROXYETHYL)ETHER × 1 MG MAGNESIUM ION × 6 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；8-15% w/v PEG 3350 and 0.2 M lithium citrate
Resolution 2.07 Å R-free 0.218
5TAR Crystal structure of farnesylated and methylated kras4b in complex with PDE-delta (crystal form II - with ordered hypervariable region) Deposited 2016-09-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–185（184 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) FAR FARNESYL × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M HEPES:NaOH pH 7.5 and 2 M ammonium sulfate
Resolution 1.90 Å R-free 0.266
5TB5 Crystal structure of full-length farnesylated and methylated KRAS4b in complex with PDE-delta (crystal form I - with partially disordered hypervariable region) Deposited 2016-09-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–185（184 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) FAR FARNESYL × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M citrate pH 5.0 and 20% w/v PEG 6000
Resolution 2.00 Å R-free 0.248
5TB5 Crystal structure of full-length farnesylated and methylated KRAS4b in complex with PDE-delta (crystal form I - with partially disordered hypervariable region) Deposited 2016-09-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 2–185（184 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) FAR FARNESYL × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M citrate pH 5.0 and 20% w/v PEG 6000
Resolution 2.00 Å R-free 0.248
5UFE Wild-type K-Ras(GNP)/R11.1.6 complex Deposited 2017-01-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–166（166 aa） Fragment：UNP residues 1-166
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 CA CALCIUM ION × 3 CD CADMIUM ION × 4 CL CHLORIDE ION × 3 MG MAGNESIUM ION × 1 CO COBALT (II) ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；calcium chloride, cadmium chloride, cobalt(II)chloride, PEG 3350
Resolution 2.30 Å R-free 0.241
5UFQ K-RasG12D(GNP)/R11.1.6 complex Deposited 2017-01-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–166（166 aa） Fragment：UNP residues 1-166
Mutation：G12D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 2 CA CALCIUM ION × 1 CD CADMIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；calcium chloride, cadmium chloride, cobalt(II) chloride hexahydrate, PEG 3350
Resolution 2.20 Å R-free 0.263
5UFQ K-RasG12D(GNP)/R11.1.6 complex Deposited 2017-01-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–166（166 aa） Fragment：UNP residues 1-166
Mutation：G12D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 2 CA CALCIUM ION × 1 CD CADMIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；calcium chloride, cadmium chloride, cobalt(II) chloride hexahydrate, PEG 3350
Resolution 2.20 Å R-free 0.263
5UFQ K-RasG12D(GNP)/R11.1.6 complex Deposited 2017-01-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–166（166 aa） Fragment：UNP residues 1-166
Mutation：G12D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 2 CA CALCIUM ION × 1 CD CADMIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；calcium chloride, cadmium chloride, cobalt(II) chloride hexahydrate, PEG 3350
Resolution 2.20 Å R-free 0.263
5UK9 Wild-type K-Ras(GCP) pH 6.5 Deposited 2017-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–166（166 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；ammonium sulfate, sodium cacodylate, PEG 8000
Resolution 1.89 Å R-free 0.206
5UK9 Wild-type K-Ras(GCP) pH 6.5 Deposited 2017-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–166（166 aa）
Not recorded MG MAGNESIUM ION × 1 GOL GLYCEROL × 1 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；ammonium sulfate, sodium cacodylate, PEG 8000
Resolution 1.89 Å R-free 0.206
5UQW Crystal structure of human KRAS G12V mutant in complex with GDP Deposited 2017-02-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Mutation：G12V MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M Bis-Tris, 25% w/v PEG3350, pH 6.5
Resolution 1.50 Å R-free 0.153
5UQW Crystal structure of human KRAS G12V mutant in complex with GDP Deposited 2017-02-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：UNP residues 1-169
Mutation：G12V MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M Bis-Tris, 25% w/v PEG3350, pH 6.5
Resolution 1.50 Å R-free 0.153
5US4 Crystal structure of human KRAS G12D mutant in complex with GDP Deposited 2017-02-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.1；293 K；0.2 M sodium phosphate dibasic, 20% w/v PEG3350, pH 9.1
Resolution 1.83 Å R-free 0.201
5US4 Crystal structure of human KRAS G12D mutant in complex with GDP Deposited 2017-02-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.1；293 K；0.2 M sodium phosphate dibasic, 20% w/v PEG3350, pH 9.1
Resolution 1.83 Å R-free 0.201
5USJ Crystal Structure of human KRAS G12D mutant in complex with GDPNP Deposited 2017-02-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1 M Bis-Tris, 25% w/v PEG3350, pH 5.5
Resolution 1.94 Å R-free 0.238
5USJ Crystal Structure of human KRAS G12D mutant in complex with GDPNP Deposited 2017-02-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1 M Bis-Tris, 25% w/v PEG3350, pH 5.5
Resolution 1.94 Å R-free 0.238
5USJ Crystal Structure of human KRAS G12D mutant in complex with GDPNP Deposited 2017-02-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Mutation：G12D MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1 M Bis-Tris, 25% w/v PEG3350, pH 5.5
Resolution 1.94 Å R-free 0.238
5USJ Crystal Structure of human KRAS G12D mutant in complex with GDPNP Deposited 2017-02-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–169（169 aa）
Mutation：G12D MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1 M Bis-Tris, 25% w/v PEG3350, pH 5.5
Resolution 1.94 Å R-free 0.238
5USJ Crystal Structure of human KRAS G12D mutant in complex with GDPNP Deposited 2017-02-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 1–169（169 aa）
Mutation：G12D MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1 M Bis-Tris, 25% w/v PEG3350, pH 5.5
Resolution 1.94 Å R-free 0.238
5USJ Crystal Structure of human KRAS G12D mutant in complex with GDPNP Deposited 2017-02-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 1–169（169 aa）
Mutation：G12D MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1 M Bis-Tris, 25% w/v PEG3350, pH 5.5
Resolution 1.94 Å R-free 0.238
5V6S Crystal structure of small molecule acrylamide 1 covalently bound to K-Ras G12C Deposited 2017-03-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12C/C51S/C80L/C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 8YD 1-{4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；25% PEG 8000, 0.1M Hepes pH 7.5, vapor diffusion, hanging drop, 293K
Resolution 1.70 Å R-free 0.203
5V6V Crystal structure of small molecule aziridine 3 covalently bound to K-Ras G12C Deposited 2017-03-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Chain B 1–169（169 aa）
Mutation：G12C/C51S/C80L/C118S Mutation：G12C/C51S/C80L/C118S GDP GUANOSINE-5'-DIPHOSPHATE × 2 CA CALCIUM ION × 6 8YA 3-amino-1-{4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；28% PEG 4000, 0.1M Tris pH 8, 0.2M CaCl2, vapor diffusion, hanging drop, 293K
Resolution 1.72 Å R-free 0.202
5V71 KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder Deposited 2017-03-17 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–168（168 aa） Fragment：UNP residues 1-168
Mutation：G12C GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 8ZG 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.9；277 K；1.8M sodium phosphate monobasic monohydrate, potassium phosphate dibasic pH6.9
Resolution 2.23 Å R-free 0.228
5V71 KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder Deposited 2017-03-17 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–168（168 aa） Fragment：UNP residues 1-168
Mutation：G12C GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 8ZG 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.9；277 K；1.8M sodium phosphate monobasic monohydrate, potassium phosphate dibasic pH6.9
Resolution 2.23 Å R-free 0.228
5V71 KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder Deposited 2017-03-17 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–168（168 aa） Fragment：UNP residues 1-168
Mutation：G12C GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 8ZG 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.9；277 K；1.8M sodium phosphate monobasic monohydrate, potassium phosphate dibasic pH6.9
Resolution 2.23 Å R-free 0.228
5V71 KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder Deposited 2017-03-17 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–168（168 aa） Fragment：UNP residues 1-168
Mutation：G12C GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 8ZG 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.9；277 K；1.8M sodium phosphate monobasic monohydrate, potassium phosphate dibasic pH6.9
Resolution 2.23 Å R-free 0.228
5V71 KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder Deposited 2017-03-17 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 1–168（168 aa） Fragment：UNP residues 1-168
Mutation：G12C GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 8ZG 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.9；277 K；1.8M sodium phosphate monobasic monohydrate, potassium phosphate dibasic pH6.9
Resolution 2.23 Å R-free 0.228
5V71 KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder Deposited 2017-03-17 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 1–168（168 aa） Fragment：UNP residues 1-168
Mutation：G12C GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 8ZG 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.9；277 K；1.8M sodium phosphate monobasic monohydrate, potassium phosphate dibasic pH6.9
Resolution 2.23 Å R-free 0.228
5V9L KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder Deposited 2017-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–168（168 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 91D N~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 7.1；277 K；1.6M sodium phosphate monobasic monohydrate, potassium phosphate dibasic pH7.1
Resolution 1.98 Å R-free 0.226
5V9L KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder Deposited 2017-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–168（168 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 91D N~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 7.1；277 K；1.6M sodium phosphate monobasic monohydrate, potassium phosphate dibasic pH7.1
Resolution 1.98 Å R-free 0.226
5V9L KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder Deposited 2017-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–168（168 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 91D N~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 7.1；277 K；1.6M sodium phosphate monobasic monohydrate, potassium phosphate dibasic pH7.1
Resolution 1.98 Å R-free 0.226
5V9O KRAS G12C inhibitor Deposited 2017-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–168（168 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 91G N~3~-[6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 9；277 K；0.1M Tris pH9.0, ammonium sulfate 1.6M
Resolution 1.56 Å R-free 0.199
5V9U Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C Deposited 2017-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：GTPase domain
Mutation：G12C, C51S, C80L, C118S, R151G, E153D, Q165K, Y166H, R167K, L168E CA CALCIUM ION × 4 91S (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one × 1 GOL GLYCEROL × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；29% PEG 4000, 0.2 M CaCl2, 0.1 M Tris pH=8.5
Resolution 1.38 Å R-free 0.189
5V9U Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C Deposited 2017-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：GTPase domain
Mutation：G12C, C51S, C80L, C118S, R151G, E153D, Q165K, Y166H, R167K, L168E CA CALCIUM ION × 2 91S (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one × 1 GOL GLYCEROL × 3 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；29% PEG 4000, 0.2 M CaCl2, 0.1 M Tris pH=8.5
Resolution 1.38 Å R-free 0.189
5VBM Crystal Structure of Small Molecule Disulfide 2C07 Bound to K-Ras Cys Light M72C GDP Deposited 2017-03-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：M72C, C51S, C80L, C118S MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 92V 1-(4-methoxyphenyl)-N-(3-sulfanylpropyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；33% PEG4000 .1 M Na Citrate (pH 4.6) .2 M Ammonium Acetate .22 M KCl (10% Additive of 2.2 M KCL)
Resolution 1.49 Å R-free 0.196
5VP7 Crystal structure of human KRAS G12A mutant in complex with GDP Deposited 2017-05-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：residues 1-169
Mutation：G12A, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 PGE TRIETHYLENE GLYCOL × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.2 mol L-1 sodium acetate, 0.1 mol L-1 Tris pH 8.5, 26% PEG 3,350
Resolution 1.70 Å R-free 0.207
5VP7 Crystal structure of human KRAS G12A mutant in complex with GDP Deposited 2017-05-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 1–169（169 aa） Fragment：residues 1-169
Mutation：G12A, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.2 mol L-1 sodium acetate, 0.1 mol L-1 Tris pH 8.5, 26% PEG 3,350
Resolution 1.70 Å R-free 0.207
5VPI Crystal structure of human KRAS G12A mutant in complex with GTP Deposited 2017-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：residues 1-169
Mutation：G12A, C118S GTP GUANOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.2 mol/L sodium acetate, 0.1 mol/L Tris pH 8.5, 24% PEG 3,350
Resolution 1.62 Å R-free 0.216
5VPI Crystal structure of human KRAS G12A mutant in complex with GTP Deposited 2017-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：residues 1-169
Mutation：G12A, C118S GTP GUANOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.2 mol/L sodium acetate, 0.1 mol/L Tris pH 8.5, 24% PEG 3,350
Resolution 1.62 Å R-free 0.216
5VPY Crystal structure of human KRAS G12A mutant in complex with GppNHp Deposited 2017-05-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：residues 1-169
Mutation：G12A, C118S MG MAGNESIUM ION × 1 9GM 2-amino-9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-L-xylofuranosyl}-1,9-dihydro-6H-purin-6-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.2 mol/L sodium acetate, 0.1 mol/L Tris pH 8.5, 24% PEG 3,350
Resolution 2.00 Å R-free 0.233
5VPY Crystal structure of human KRAS G12A mutant in complex with GppNHp Deposited 2017-05-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：residues 1-169
Mutation：G12A, C118S MG MAGNESIUM ION × 1 9GM 2-amino-9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-L-xylofuranosyl}-1,9-dihydro-6H-purin-6-one × 1 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.2 mol/L sodium acetate, 0.1 mol/L Tris pH 8.5, 24% PEG 3,350
Resolution 2.00 Å R-free 0.233
5VPZ Crystal structure of human KRAS G12A mutant in complex with GTP-gamma-S Deposited 2017-05-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：residues 1-169
Mutation：G12A, C118S MG MAGNESIUM ION × 1 GSP 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.2 mol/L sodium acetate, 0.1 mol/L Tris pH 8.5, 24% PEG 3,350
Resolution 1.85 Å R-free 0.234
5VPZ Crystal structure of human KRAS G12A mutant in complex with GTP-gamma-S Deposited 2017-05-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：residues 1-169
Mutation：G12A, C118S MG MAGNESIUM ION × 1 GSP 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.2 mol/L sodium acetate, 0.1 mol/L Tris pH 8.5, 24% PEG 3,350
Resolution 1.85 Å R-free 0.234
5VQ0 Crystal structure of human KRAS G12A mutant in complex with GDP (EDTA soaked) Deposited 2017-05-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：residues 1-169
Mutation：G12A, C118S MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.2 mol/L sodium acetate, 0.1 mol/L Tris pH 8.5, 26% PEG 3,350
Resolution 2.30 Å R-free 0.273
5VQ0 Crystal structure of human KRAS G12A mutant in complex with GDP (EDTA soaked) Deposited 2017-05-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：residues 1-169
Mutation：G12A, C118S MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.2 mol/L sodium acetate, 0.1 mol/L Tris pH 8.5, 26% PEG 3,350
Resolution 2.30 Å R-free 0.273
5VQ1 Crystal structure of human KRAS Q61A mutant in complex with GDP Deposited 2017-05-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：residues 1-169
Mutation：Q61A, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 mol/L sodium acetate, 0.1 mol/L Tris pH 8.5, 28% PEG 3,350
Resolution 1.78 Å R-free 0.214
5VQ1 Crystal structure of human KRAS Q61A mutant in complex with GDP Deposited 2017-05-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：residues 1-169
Mutation：Q61A, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 mol/L sodium acetate, 0.1 mol/L Tris pH 8.5, 28% PEG 3,350
Resolution 1.78 Å R-free 0.214
5VQ2 Crystal structure of human WT-KRAS in complex with GTP Deposited 2017-05-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：residues 1-169
Not recorded GTP GUANOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 mol/L sodium acetate, 0.1 mol/L Tris pH 8.5, 28% PEG 3,350
Resolution 1.96 Å R-free 0.231
5VQ2 Crystal structure of human WT-KRAS in complex with GTP Deposited 2017-05-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：residues 1-169
Not recorded GTP GUANOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 mol/L sodium acetate, 0.1 mol/L Tris pH 8.5, 28% PEG 3,350
Resolution 1.96 Å R-free 0.231
5VQ6 Crystal structure of human WT-KRAS in complex with GTP-gamma-S Deposited 2017-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：residues 1-169
Mutation：C118S GSP 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.2 mol/L sodium acetate, 0.1 mol/L Tris pH 8.5, 24% PEG 3,350
Resolution 1.99 Å R-free 0.221
5VQ6 Crystal structure of human WT-KRAS in complex with GTP-gamma-S Deposited 2017-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：residues 1-169
Mutation：C118S GSP 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.2 mol/L sodium acetate, 0.1 mol/L Tris pH 8.5, 24% PEG 3,350
Resolution 1.99 Å R-free 0.221
5VQ8 Crystal structure of human WT-KRAS in complex with GDP (EDTA soaked) Deposited 2017-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：residues 1-169
Mutation：C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.2 mol/L sodium acetate, 0.1 mol/L Tris pH 8.5, 24% PEG 3,350
Resolution 2.30 Å R-free 0.266
5VQ8 Crystal structure of human WT-KRAS in complex with GDP (EDTA soaked) Deposited 2017-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：residues 1-169
Mutation：C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.2 mol/L sodium acetate, 0.1 mol/L Tris pH 8.5, 24% PEG 3,350
Resolution 2.30 Å R-free 0.266
5W22 Crystal structure of human WT-KRAS in complex with GDP Deposited 2017-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.2 mol/L sodium acetate, 0.1 mol/L Tris pH 8.5, 24% PEG 4,000
Resolution 1.76 Å R-free 0.204
5W22 Crystal structure of human WT-KRAS in complex with GDP Deposited 2017-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.2 mol/L sodium acetate, 0.1 mol/L Tris pH 8.5, 24% PEG 4,000
Resolution 1.76 Å R-free 0.204
5WHA KRas G12V, bound to GDP and miniprotein 225-11 Deposited 2017-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Mutation：G12V MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.25 M CALCIUM CHLORIDE, 24% PEG 3350
Resolution 2.04 Å R-free 0.277
5WHA KRas G12V, bound to GDP and miniprotein 225-11 Deposited 2017-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Mutation：G12V MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.25 M CALCIUM CHLORIDE, 24% PEG 3350
Resolution 2.04 Å R-free 0.277
5WHA KRas G12V, bound to GDP and miniprotein 225-11 Deposited 2017-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain G 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Mutation：G12V MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 CA CALCIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.25 M CALCIUM CHLORIDE, 24% PEG 3350
Resolution 2.04 Å R-free 0.277
5WHA KRas G12V, bound to GDP and miniprotein 225-11 Deposited 2017-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain J 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Mutation：G12V MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.25 M CALCIUM CHLORIDE, 24% PEG 3350
Resolution 2.04 Å R-free 0.277
5WHB KRas G12V, bound to GDP and miniprotein 225-11(A30R) Deposited 2017-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Mutation：G12V GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 CA CALCIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.25M CALCIUM CHLORIDE, 24% PEG 3350
Resolution 2.18 Å R-free 0.252
5WHB KRas G12V, bound to GDP and miniprotein 225-11(A30R) Deposited 2017-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Mutation：G12V GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 CA CALCIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.25M CALCIUM CHLORIDE, 24% PEG 3350
Resolution 2.18 Å R-free 0.252
5WHB KRas G12V, bound to GDP and miniprotein 225-11(A30R) Deposited 2017-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain G 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Mutation：G12V GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.25M CALCIUM CHLORIDE, 24% PEG 3350
Resolution 2.18 Å R-free 0.252
5WHB KRas G12V, bound to GDP and miniprotein 225-11(A30R) Deposited 2017-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain J 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Mutation：G12V GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.25M CALCIUM CHLORIDE, 24% PEG 3350
Resolution 2.18 Å R-free 0.252
5WHB KRas G12V, bound to GDP and miniprotein 225-11(A30R) Deposited 2017-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Chain J 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Mutation：G12V Mutation：G12V GDP GUANOSINE-5'-DIPHOSPHATE × 2 MG MAGNESIUM ION × 2 CA CALCIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.25M CALCIUM CHLORIDE, 24% PEG 3350
Resolution 2.18 Å R-free 0.252
5WHB KRas G12V, bound to GDP and miniprotein 225-11(A30R) Deposited 2017-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain D 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Chain G 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Mutation：G12V Mutation：G12V GDP GUANOSINE-5'-DIPHOSPHATE × 2 MG MAGNESIUM ION × 2 CA CALCIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.25M CALCIUM CHLORIDE, 24% PEG 3350
Resolution 2.18 Å R-free 0.252
5WHD Crystal structure of KRas G12V/D38P, bound to GDP Deposited 2017-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Mutation：G12V D38P GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M SODIUM FLUORIDE, 23% PEG 3350,
Resolution 1.64 Å R-free 0.225
5WHD Crystal structure of KRas G12V/D38P, bound to GDP Deposited 2017-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Mutation：G12V D38P GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M SODIUM FLUORIDE, 23% PEG 3350,
Resolution 1.64 Å R-free 0.225
5WHD Crystal structure of KRas G12V/D38P, bound to GDP Deposited 2017-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Mutation：G12V D38P GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M SODIUM FLUORIDE, 23% PEG 3350,
Resolution 1.64 Å R-free 0.225
5WHD Crystal structure of KRas G12V/D38P, bound to GDP Deposited 2017-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Mutation：G12V D38P GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M SODIUM FLUORIDE, 23% PEG 3350,
Resolution 1.64 Å R-free 0.225
5WHD Crystal structure of KRas G12V/D38P, bound to GDP Deposited 2017-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Chain C 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Mutation：G12V D38P Mutation：G12V D38P GDP GUANOSINE-5'-DIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M SODIUM FLUORIDE, 23% PEG 3350,
Resolution 1.64 Å R-free 0.225
5WHD Crystal structure of KRas G12V/D38P, bound to GDP Deposited 2017-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Chain D 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Mutation：G12V D38P Mutation：G12V D38P GDP GUANOSINE-5'-DIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M SODIUM FLUORIDE, 23% PEG 3350,
Resolution 1.64 Å R-free 0.225
5WHE KRas G12V/D38P, bound to GppNHp and miniprotein 225-11 Deposited 2017-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Mutation：G12V, D38P GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 CA CALCIUM ION × 4 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.25 M CALCIUM CHLORIDE, 21% PEG 3350,
Resolution 1.91 Å R-free 0.227
5WHE KRas G12V/D38P, bound to GppNHp and miniprotein 225-11 Deposited 2017-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Mutation：G12V, D38P GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 CA CALCIUM ION × 4 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.25 M CALCIUM CHLORIDE, 21% PEG 3350,
Resolution 1.91 Å R-free 0.227
5WHE KRas G12V/D38P, bound to GppNHp and miniprotein 225-11 Deposited 2017-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain G 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Mutation：G12V, D38P GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 CA CALCIUM ION × 2 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.25 M CALCIUM CHLORIDE, 21% PEG 3350,
Resolution 1.91 Å R-free 0.227
5WHE KRas G12V/D38P, bound to GppNHp and miniprotein 225-11 Deposited 2017-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain J 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Mutation：G12V, D38P GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.25 M CALCIUM CHLORIDE, 21% PEG 3350,
Resolution 1.91 Å R-free 0.227
5WLB KRas G12V, bound to GppNHp and miniprotein 225-15a/b Deposited 2017-07-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 PG4 TETRAETHYLENE GLYCOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M AMMONIUM SULFATE, 26% PEG 3350, 0.1M HEPES PH 7.5
Resolution 1.72 Å R-free 0.233
5WLB KRas G12V, bound to GppNHp and miniprotein 225-15a/b Deposited 2017-07-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 1–166（166 aa） Fragment：UNP RESIDUES 1-166
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M AMMONIUM SULFATE, 26% PEG 3350, 0.1M HEPES PH 7.5
Resolution 1.72 Å R-free 0.233
5WPM KRas G12V, bound to GppNHp and miniprotein 225-11(A30R) Deposited 2017-08-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–166（166 aa） Fragment：residues 1-166
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M calcium chloride and 20% PEG3350
Resolution 1.72 Å R-free 0.285
5XCO Crystal structure of human K-Ras G12D Mutant in complex with GDP and Cyclic Inhibitory Peptide Deposited 2017-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M Hepes, 50% PEG 200
Resolution 1.25 Å R-free 0.194
5YXZ Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI484 Deposited 2017-12-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C51S,C80L,C118S MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 94C 1-[4-[6-chloranyl-8-fluoranyl-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.15M K Bromide, 30% w/v PEG MME 2000
Resolution 1.70 Å R-free 0.237
5YY1 Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739 Deposited 2017-12-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C51S,C80L,C118S MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 94F 1-[4-[6-chloranyl-8-fluoranyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.01M tri-Sodium citrate, 33% (w/v) PEG 6000
Resolution 1.69 Å R-free 0.235
6ARK Crystal Structure of compound 10 covalently bound to K-Ras G12C Deposited 2017-08-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12C, C51S, C80L, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 BQD (3R)-N-(6-bromonaphthalen-2-yl)-3-hydroxy-1-propanoyl-L-prolinamide × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；5% PEG 400, 2M (NH4)2SO4, 0.1M HEPES
Resolution 1.75 Å R-free 0.231
6ASA KRAS mutant-D33E in GDP-bound Deposited 2017-08-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–168（168 aa） Fragment：UNP residues 1-168
Mutation：D33E GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；293 K；0.1 M Tris pH 8.5, 200 mM MgCl2, 25 % PEG 3350
Resolution 2.54 Å R-free 0.264
6ASE KRAS mutant-A59G in GDP-bound Deposited 2017-08-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Mutation：A59G MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；293 K；0.15 M Cesium chloride, 15 % PEG 3350, 40 mM MgCl2
Resolution 1.55 Å R-free 0.226
6B0V Crystal Structure of small molecule ARS-107 covalently bound to K-Ras G12C Deposited 2017-09-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Mutation：G12C, C51S, C80L, C118S CA CALCIUM ION × 2 C8G 1-[3-(4-{[(4,5-dichloro-2-hydroxyphenyl)amino]acetyl}piperazin-1-yl)azetidin-1-yl]propan-1-one × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；29% PEG 4000, 0.2 M CaCl2, 0.1 M Tris pH=8.5
Resolution 1.29 Å R-free 0.218
6B0V Crystal Structure of small molecule ARS-107 covalently bound to K-Ras G12C Deposited 2017-09-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：UNP residues 1-169
Mutation：G12C, C51S, C80L, C118S CA CALCIUM ION × 2 C8G 1-[3-(4-{[(4,5-dichloro-2-hydroxyphenyl)amino]acetyl}piperazin-1-yl)azetidin-1-yl]propan-1-one × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；29% PEG 4000, 0.2 M CaCl2, 0.1 M Tris pH=8.5
Resolution 1.29 Å R-free 0.218
6B0Y Crystal Structure of small molecule ARS-917 covalently bound to K-Ras G12C Deposited 2017-09-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：UNP residues 1-169
Mutation：G12C, C51S, C80L, C118S CA CALCIUM ION × 2 8ZG 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one × 1 GOL GLYCEROL × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；27% PEG 4000, 0.2 M CaCl2, 0.1 M Tris pH=8.5
Resolution 1.43 Å R-free 0.207
6B0Y Crystal Structure of small molecule ARS-917 covalently bound to K-Ras G12C Deposited 2017-09-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：UNP residues 1-169
Mutation：G12C, C51S, C80L, C118S CA CALCIUM ION × 2 8ZG 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one × 1 GOL GLYCEROL × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；27% PEG 4000, 0.2 M CaCl2, 0.1 M Tris pH=8.5
Resolution 1.43 Å R-free 0.207
6BOF Crystal structure of KRAS A146T-GDP demonstrating open switch 1 conformation Deposited 2017-11-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–169（168 aa）
Chain B 2–169（168 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；1.4 M sodium malonate, pH 7.0, 0.1 M Bis-Tris propane, pH 7.0
Resolution 1.40 Å R-free 0.145
6BP1 Crystal structure of human KRAS A59G mutant in complex with GCP Deposited 2017-11-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：A59G GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 3.5；293 K；4% MPD, 0.1 M citric acid, pH 3.5, 20% PEG1500
Resolution 2.00 Å R-free 0.223
6CC9 NMR data-driven model of GTPase KRas-GMPPNP:Cmpd2 complex tethered to a nanodisc Deposited 2018-02-06 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–185（185 aa）
Mutation：G12V PCW 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE × 64 17F O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine × 16 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 EWS (2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium × 1 SOLUTION NMR
NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 100 mM NaCl；Pressure ambient
NMR sample composition 0.2 mM U-15N, Ile, Leu C-delta-13C, Val C-gamma-13C GTPase KRas isoform b, 0.4 mM Membrane Scaffold Protein, 100 mM sodium chloride, 20 mM TRIS, 5 mM magnesium chloride, 2 mM TCEP, 0.2 mM GMPPNP, 12 mM DOPC, 3.2 mM DOPS, 0.8 mM PE-MCC, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.2 mM U-15N, Ile, Leu C-delta-13C, Val C-gamma-13C GTPase KRas isoform b, 0.4 mM Membrane Scaffold Protein, 1 mM Cmpd2, 100 mM sodium chloride, 20 mM TRIS, 5 mM magnesium chloride, 2 mM TCEP, 0.2 mM GMPPNP, 12 mM DOPC, 3.2 mM DOPS, 0.8 mM PE-MCC, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.2 mM [U-15N] GTPase KRas isoform b, 1 mM Cmpd2, 100 mM sodium chloride, 20 mM TRIS, 5 mM magnesium chloride, 2 mM TCEP, 0.2 mM GMPPNP, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
6CCH NMR data-driven model of GTPase KRas-GMPPNP tethered to a nanodisc (E3 state) Deposited 2018-02-07 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–185（185 aa）
Mutation：G12V PCW 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE × 64 17F O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine × 16 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 SOLUTION NMR
NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 105；Pressure 1
NMR sample composition 0.2 mM U-15N, Ile, Leu C-delta-13C, Val C-gamma-13C GTPase KRas isoform b, 0.4 mM Membrane Scaffold Protein, 100 mM sodium chloride, 20 mM TRIS, 5 mM magnesium chloride, 2 mM TCEP, 0.2 mM GMPPNP, 12 mM DOPC, 3.2 mM DOPS, 0.8 mM PE-MCC, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.2 mM U-15N, Ile, Leu C-delta-13C, Val C-gamma-13C GTPase KRas isoform b, 0.4 mM Membrane Scaffold Protein, 100 mM sodium chloride, 20 mM TRIS, 5 mM magnesium chloride, 2 mM TCEP, 0.2 mM GMPPNP, 12 mM DOPC, 3.2 mM DOPS, 0.8 mM PE-MCC, 0.4 mM PE-DTPA-Gd, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
6CCX NMR data-driven model of GTPase KRas-GMPPNP:Cmpd2 complex tethered to a nanodisc Deposited 2018-02-07 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–185（185 aa）
Mutation：G12V PCW 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE × 64 17F O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine × 16 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 EWS (2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium × 1 SOLUTION NMR
NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 105；Pressure 1
NMR sample composition 0.2 mM U-15N, Ile, Leu C-delta-13C, Val C-gamma-13C GTPase KRas isoform b, 0.4 mM Membrane Scaffold Protein, 100 mM sodium chloride, 20 mM TRIS, 5 mM magnesium chloride, 2 mM TCEP, 0.2 mM GMPPNP, 12 mM DOPC, 3.2 mM DOPS, 0.8 mM PE-MCC, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.2 mM GTPase KRas isoform b, 0.4 mM Membrane Scaffold Protein, 100 mM sodium chloride, 20 mM TRIS, 5 mM magnesium chloride, 2 mM TCEP, 0.2 mM GMPPNP, 12 mM DOPC, 3.2 mM DOPS, 0.8 mM PE-MCC, 0.4 mM PE-DTPA-Gd, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
6CU6 Crystal structure of GMPPNP-bound G12R mutant of human KRAS4b Deposited 2018-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12R MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；2.1 M Sodium Malonate pH 7.5, 40 mM Dimethyloctylphosphine oxide
Resolution 1.50 Å R-free 0.230
6CU6 Crystal structure of GMPPNP-bound G12R mutant of human KRAS4b Deposited 2018-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12R MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；2.1 M Sodium Malonate pH 7.5, 40 mM Dimethyloctylphosphine oxide
Resolution 1.50 Å R-free 0.230
6CU6 Crystal structure of GMPPNP-bound G12R mutant of human KRAS4b Deposited 2018-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Mutation：G12R MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；2.1 M Sodium Malonate pH 7.5, 40 mM Dimethyloctylphosphine oxide
Resolution 1.50 Å R-free 0.230
6E6F KRAS G13D bound to GppNHp (K13GNP) Deposited 2018-07-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–166（166 aa） Fragment：residues 1-166
Mutation：G13D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；291.15 K；5 mM Sodium acetate, 91 mM sodium citrate tribasic, 183 mM Ammonium acetate, 27.2% PEG 4000, 4.3% stabilization buffer (20 mM HEPES, 50 mM NaCl, 20 mM MgCl2, at pH 7.5), crystals grown 1uL by 1uL mother liquor to protein (22mg/mL), No cryoprotectant was used for diffraction
Resolution 3.40 Å R-free 0.258
6E6F KRAS G13D bound to GppNHp (K13GNP) Deposited 2018-07-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–166（166 aa） Fragment：residues 1-166
Mutation：G13D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；291.15 K；5 mM Sodium acetate, 91 mM sodium citrate tribasic, 183 mM Ammonium acetate, 27.2% PEG 4000, 4.3% stabilization buffer (20 mM HEPES, 50 mM NaCl, 20 mM MgCl2, at pH 7.5), crystals grown 1uL by 1uL mother liquor to protein (22mg/mL), No cryoprotectant was used for diffraction
Resolution 3.40 Å R-free 0.258
6E6G KRAS G13D bound to GDP (K13GDP) Deposited 2018-07-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–166（166 aa） Fragment：residues 1-166
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；291.15 K；27.5% PEG 3350, 125 mM Na(OAc), 122 mM sodium citrate, 4.0% stabilization buffer (20 mM HEPES, 50 mM NaCl, 20 mM MgCl2, at pH 7.5), Crystals grown in 1uL by 1uL drops of mother liquor to protein (18 mg/mL), No cryoprotectant used for diffraction
Resolution 1.93 Å R-free 0.225
6EPL Ras guanine exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) Deposited 2017-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain R 1–169（169 aa）
Mutation：G12C, C118S, D126E, T127S, K128R GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Drops made from KRAS SOS1 complex (11.3 mg/ml in 5 mM Tris pH 7.5, 100 mM NaCl) and reservoir solution (3.65 M sodium Formate). No cryo protectant added.
Resolution 2.55 Å R-free 0.224
6EPM Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) and fragment screening hit F1 Deposited 2017-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain R 1–169（169 aa）
Mutation：G12C, C118S, D126E, T127S, K128R GOL GLYCEROL × 1 BQ5 (1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；Drops made from KRAS SOS1 complex (14.4 mg/ml in 5 mM Tris pH 7.5, 100mM NaCl) and reservoir solution (2.9 to 3.4 M sodium formate, 100 mM MES pH 6.5). Fragment soaked at 25 mM for one day using a 500 mM fragment stock solution in DMSO. Cryo buffer 0.1 M MES pH 6.5, 3.5 M sodium formate, 20 glycerol, 25 mM fragment
Resolution 2.50 Å R-free 0.211
6EPN Ras guanine exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) and fragment screening hit F2 Deposited 2017-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain R 1–169（169 aa）
Mutation：G12C, C118S, D126E, T127S, K128R GOL GLYCEROL × 1 BQ2 1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；Drops made from KRAS SOS1 complex (14.4 mg/ml in 5 mM Tris pH 7.5, 100mM NaCl) and reservoir solution (2.9 to 3.4 M sodium formate, 100 mM MES pH 6.5). Fragment soaked at 25 mM for 2.5 days using a 500 mM fragment stock solution in DMSO. Cryo buffer 0.1 M MES pH 6.5, 3.5 M sodium formate, 20 glycerol, 25 mM fragment.
Resolution 2.50 Å R-free 0.218
6EPO RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F3 Deposited 2017-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain R 1–169（169 aa）
Mutation：G12C, C118S, D126E, T127S, K128R GOL GLYCEROL × 1 BPW 3-(4-chlorophenyl)propan-1-amine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；Drops made from KRAS SOS1 complex (14.4 mg/ml in 5 mM Tris pH 7.5, 100mM NaCl) and reservoir solution (2.9 to 3.4 M sodium formate, 100 mM MES pH 6.5). Fragment soaked at 25 mM for two days using a 500 mM fragment stock solution in DMSO. Cryo buffer 0.1 M MES pH 6.5, 3.5 M sodium formate, 20 glycerol, 25 mM fragment
Resolution 2.40 Å R-free 0.214
6EPP RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F4 Deposited 2017-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain R 1–169（169 aa）
Mutation：G12C, C118S, D126E, T127S, K128R GOL GLYCEROL × 1 BOQ ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；Drops made from KRAS SOS1 complex (14.4 mg/ml in 5 mM Tris pH 7.5, 100mM NaCl) and reservoir solution (2.9 to 3.4 M sodium formate, 100 mM MES pH 6.5). Fragment soaked at 25 mM for three days at 277 K using a 500 mM fragment stock solution in DMSO. Cryo buffer 0.1 M MES pH 6.5, 3.5 M sodium formate, 20 glycerol, 25 mM fragment
Resolution 2.40 Å R-free 0.201
6F76 Antibody derived (Abd-8) small molecule binding to KRAS. Deposited 2017-12-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 1–169（169 aa）
Chain B 1–169（169 aa）
Chain C 1–169（169 aa）
Chain D 1–169（169 aa）
Chain E 1–169（169 aa）
Chain F 1–169（169 aa）
Mutation：Q61H Mutation：Q61H Mutation：Q61H Mutation：Q61H Mutation：Q61H Mutation：Q61H MG MAGNESIUM ION × 6 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 6 CVK 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-aniline × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；8-15% w/v Polyethylene glycol 3350 and 0.2M lithium citrate
Resolution 2.20 Å R-free 0.249
6FA1 Antibody derived (Abd-4) small molecule binding to KRAS. Deposited 2017-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 1–168（168 aa）
Chain B 1–169（169 aa）
Chain C 1–168（168 aa）
Chain D 1–168（168 aa）
Chain E 1–169（169 aa）
Chain F 1–168（168 aa）
Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Q61H Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 6 D2Z 2-[4-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenoxy]ethyl-dimethyl-azanium × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M lithium citrate
Resolution 1.97 Å R-free 0.207
6FA2 Antibody derived (Abd-5) small molecule binding to KRAS. Deposited 2017-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–167（167 aa）
Mutation：Q61H MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 D2W 4-[2-(dimethylamino)ethoxy]-~{N}-[[(3~{R})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M lithium citrate
Resolution 2.60 Å R-free 0.233
6FA2 Antibody derived (Abd-5) small molecule binding to KRAS. Deposited 2017-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–167（167 aa）
Mutation：Q61H MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 D2W 4-[2-(dimethylamino)ethoxy]-~{N}-[[(3~{R})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M lithium citrate
Resolution 2.60 Å R-free 0.233
6FA2 Antibody derived (Abd-5) small molecule binding to KRAS. Deposited 2017-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–167（167 aa）
Mutation：Q61H MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 D2W 4-[2-(dimethylamino)ethoxy]-~{N}-[[(3~{R})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M lithium citrate
Resolution 2.60 Å R-free 0.233
6FA2 Antibody derived (Abd-5) small molecule binding to KRAS. Deposited 2017-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–167（167 aa）
Mutation：Q61H MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 D2W 4-[2-(dimethylamino)ethoxy]-~{N}-[[(3~{R})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M lithium citrate
Resolution 2.60 Å R-free 0.233
6FA2 Antibody derived (Abd-5) small molecule binding to KRAS. Deposited 2017-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 1–167（167 aa）
Mutation：Q61H MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 D2W 4-[2-(dimethylamino)ethoxy]-~{N}-[[(3~{R})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M lithium citrate
Resolution 2.60 Å R-free 0.233
6FA2 Antibody derived (Abd-5) small molecule binding to KRAS. Deposited 2017-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 1–167（167 aa）
Mutation：Q61H MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 D2W 4-[2-(dimethylamino)ethoxy]-~{N}-[[(3~{R})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M lithium citrate
Resolution 2.60 Å R-free 0.233
6FA3 Antibody derived (Abd-6) small molecule binding to KRAS. Deposited 2017-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–168（168 aa）
Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 D1Z ~{N}-[[(3~{R})-5-[5-[[3-[(dimethylamino)methyl]phenyl]amino]-6-methoxy-pyridin-2-yl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M lithium citrate
Resolution 1.82 Å R-free 0.207
6FA3 Antibody derived (Abd-6) small molecule binding to KRAS. Deposited 2017-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–168（168 aa）
Mutation：Q61H MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 D1Z ~{N}-[[(3~{R})-5-[5-[[3-[(dimethylamino)methyl]phenyl]amino]-6-methoxy-pyridin-2-yl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M lithium citrate
Resolution 1.82 Å R-free 0.207
6FA3 Antibody derived (Abd-6) small molecule binding to KRAS. Deposited 2017-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–168（168 aa）
Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 D1Z ~{N}-[[(3~{R})-5-[5-[[3-[(dimethylamino)methyl]phenyl]amino]-6-methoxy-pyridin-2-yl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M lithium citrate
Resolution 1.82 Å R-free 0.207
6FA3 Antibody derived (Abd-6) small molecule binding to KRAS. Deposited 2017-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–168（168 aa）
Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M lithium citrate
Resolution 1.82 Å R-free 0.207
6FA3 Antibody derived (Abd-6) small molecule binding to KRAS. Deposited 2017-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 1–168（168 aa）
Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M lithium citrate
Resolution 1.82 Å R-free 0.207
6FA3 Antibody derived (Abd-6) small molecule binding to KRAS. Deposited 2017-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 1–168（168 aa）
Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 D1Z ~{N}-[[(3~{R})-5-[5-[[3-[(dimethylamino)methyl]phenyl]amino]-6-methoxy-pyridin-2-yl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M lithium citrate
Resolution 1.82 Å R-free 0.207
6FA4 Antibody derived (Abd-7) small molecule binding to KRAS. Deposited 2017-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 D1W 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-pyridin-3-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M Lithium citrate
Resolution 2.02 Å R-free 0.232
6FA4 Antibody derived (Abd-7) small molecule binding to KRAS. Deposited 2017-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 D1W 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-pyridin-3-amine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M Lithium citrate
Resolution 2.02 Å R-free 0.232
6FA4 Antibody derived (Abd-7) small molecule binding to KRAS. Deposited 2017-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M Lithium citrate
Resolution 2.02 Å R-free 0.232
6FA4 Antibody derived (Abd-7) small molecule binding to KRAS. Deposited 2017-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 D1W 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-pyridin-3-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M Lithium citrate
Resolution 2.02 Å R-free 0.232
6FA4 Antibody derived (Abd-7) small molecule binding to KRAS. Deposited 2017-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M Lithium citrate
Resolution 2.02 Å R-free 0.232
6FA4 Antibody derived (Abd-7) small molecule binding to KRAS. Deposited 2017-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 D1W 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-pyridin-3-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M Lithium citrate
Resolution 2.02 Å R-free 0.232
6GJ5 CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 15 Deposited 2018-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C118S GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 F0N (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；30% PEG3350, 0.2 M potassium acetate
Resolution 1.50 Å R-free 0.203
6GJ5 CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 15 Deposited 2018-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：C118S GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 F0N (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；30% PEG3350, 0.2 M potassium acetate
Resolution 1.50 Å R-free 0.203
6GJ6 CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 18 Deposited 2018-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 NO3 NITRATE ION × 1 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 EZZ (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；20% PEG3350, 0.2M ammonium nitrate
Resolution 1.76 Å R-free 0.211
6GJ7 CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 22 Deposited 2018-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 F0B (3~{S})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；Molecular Dimensions Morpheus Screen with 30% Precipitant Mix1, 0.1M Morpheus buffer system 2 pH 7.5 and 10% nitrate phosphate sulfate mix
Resolution 1.67 Å R-free 0.257
6GJ8 CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH BI 2852 Deposited 2018-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–168（168 aa）
Not recorded F0K (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one × 1 MG MAGNESIUM ION × 1 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；25% PEG3350, 0.2M ammonium sulfate and 0.1M bis-TRIS buffer at pH 6
Resolution 1.65 Å R-free 0.198
6GOD KRAS full length wild-type GPPNHP Deposited 2018-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–172（171 aa）
Not recorded MG MAGNESIUM ION × 2 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；0.1 M TrisCl, 0.2 M NaOAc and 30-35 % PEG 4000
Resolution 1.71 Å R-free 0.231
6GOE KRAS full length G12V GPPNHP Deposited 2018-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–171（170 aa）
Mutation：G12V MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；0.1 M TrisCl, 0.2 M NaOAc and 30-35 % PEG 4000
Resolution 1.60 Å R-free 0.220
6GOF KRAS full length G12D GPPNHP Deposited 2018-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–172（171 aa）
Mutation：G12D MG MAGNESIUM ION × 2 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M, TrisCl, 0.2 M NaOAc and 30-35 % PEG 4000
Resolution 1.98 Å R-free 0.252
6GOG KRAS-169 Q61H GPPNHP Deposited 2018-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 1–169（169 aa）
Chain B 1–169（169 aa）
Chain C 1–169（169 aa）
Chain D 1–169（169 aa）
Chain E 1–169（169 aa）
Chain F 1–169（169 aa）
Mutation：Q61H Mutation：Q61H Mutation：Q61H Mutation：Q61H Mutation：Q61H Mutation：Q61H GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 6 MG MAGNESIUM ION × 6 CIT CITRIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2 M Lithium citrate
Resolution 2.05 Å R-free 0.191
6GOM KRAS-169 Q61H GPPNHP + PPIN-1 Deposited 2018-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–168（168 aa）
Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CIT CITRIC ACID × 2 F6E (6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2 M Lithium citrate
Resolution 1.63 Å R-free 0.207
6GOM KRAS-169 Q61H GPPNHP + PPIN-1 Deposited 2018-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–168（168 aa）
Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2 M Lithium citrate
Resolution 1.63 Å R-free 0.207
6GOM KRAS-169 Q61H GPPNHP + PPIN-1 Deposited 2018-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–168（168 aa）
Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2 M Lithium citrate
Resolution 1.63 Å R-free 0.207
6GOM KRAS-169 Q61H GPPNHP + PPIN-1 Deposited 2018-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–168（168 aa）
Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2 M Lithium citrate
Resolution 1.63 Å R-free 0.207
6GOM KRAS-169 Q61H GPPNHP + PPIN-1 Deposited 2018-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 1–168（168 aa）
Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2 M Lithium citrate
Resolution 1.63 Å R-free 0.207
6GOM KRAS-169 Q61H GPPNHP + PPIN-1 Deposited 2018-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 1–168（168 aa）
Mutation：Q61H Non-standard monomer：Yes (specific site not provided by mmCIF) GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2 M Lithium citrate
Resolution 1.63 Å R-free 0.207
6GQT KRAS-169 Q61H GPPNHP + PPIN-2 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–168（168 aa）
Mutation：Q61H GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2 M Lithium citrate
Resolution 1.69 Å R-free 0.214
6GQT KRAS-169 Q61H GPPNHP + PPIN-2 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–168（168 aa）
Mutation：Q61H GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 F8N ~{N}-(3-imidazol-1-ylpropyl)-4-[[3-(3-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2 M Lithium citrate
Resolution 1.69 Å R-free 0.214
6GQT KRAS-169 Q61H GPPNHP + PPIN-2 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–168（168 aa）
Mutation：Q61H GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 F8N ~{N}-(3-imidazol-1-ylpropyl)-4-[[3-(3-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2 M Lithium citrate
Resolution 1.69 Å R-free 0.214
6GQT KRAS-169 Q61H GPPNHP + PPIN-2 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–168（168 aa）
Mutation：Q61H GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CIT CITRIC ACID × 1 F8N ~{N}-(3-imidazol-1-ylpropyl)-4-[[3-(3-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2 M Lithium citrate
Resolution 1.69 Å R-free 0.214
6GQT KRAS-169 Q61H GPPNHP + PPIN-2 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 1–168（168 aa）
Mutation：Q61H GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2 M Lithium citrate
Resolution 1.69 Å R-free 0.214
6GQT KRAS-169 Q61H GPPNHP + PPIN-2 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 1–168（168 aa）
Mutation：Q61H GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 F8N ~{N}-(3-imidazol-1-ylpropyl)-4-[[3-(3-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2 M Lithium citrate
Resolution 1.69 Å R-free 0.214
6GQW KRAS-169 Q61H GPPNHP + CH-1 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–167（167 aa）
Mutation：Q61H MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 F8T [4-[[4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M Lithium citrate
Resolution 2.80 Å R-free 0.224
6GQW KRAS-169 Q61H GPPNHP + CH-1 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–167（167 aa）
Mutation：Q61H MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 F8T [4-[[4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M Lithium citrate
Resolution 2.80 Å R-free 0.224
6GQW KRAS-169 Q61H GPPNHP + CH-1 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–167（167 aa）
Mutation：Q61H MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 F8T [4-[[4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M Lithium citrate
Resolution 2.80 Å R-free 0.224
6GQW KRAS-169 Q61H GPPNHP + CH-1 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–167（167 aa）
Mutation：Q61H MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M Lithium citrate
Resolution 2.80 Å R-free 0.224
6GQW KRAS-169 Q61H GPPNHP + CH-1 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 1–167（167 aa）
Mutation：Q61H MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M Lithium citrate
Resolution 2.80 Å R-free 0.224
6GQW KRAS-169 Q61H GPPNHP + CH-1 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 1–167（167 aa）
Mutation：Q61H MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 F8T [4-[[4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v Polyethylene glycol 3350 and 0.2M Lithium citrate
Resolution 2.80 Å R-free 0.224
6GQX KRAS-169 Q61H GPPNHP + CH-2 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–167（167 aa）
Mutation：Q61H MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 F8K [4-[[2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v polyethylene glycol 3350 and 0.2 M Lithium citrate
Resolution 2.20 Å R-free 0.230
6GQX KRAS-169 Q61H GPPNHP + CH-2 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–167（167 aa）
Mutation：Q61H MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 F8K [4-[[2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v polyethylene glycol 3350 and 0.2 M Lithium citrate
Resolution 2.20 Å R-free 0.230
6GQX KRAS-169 Q61H GPPNHP + CH-2 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–167（167 aa）
Mutation：Q61H MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 F8K [4-[[2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v polyethylene glycol 3350 and 0.2 M Lithium citrate
Resolution 2.20 Å R-free 0.230
6GQX KRAS-169 Q61H GPPNHP + CH-2 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–167（167 aa）
Mutation：Q61H GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v polyethylene glycol 3350 and 0.2 M Lithium citrate
Resolution 2.20 Å R-free 0.230
6GQX KRAS-169 Q61H GPPNHP + CH-2 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 1–167（167 aa）
Mutation：Q61H GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v polyethylene glycol 3350 and 0.2 M Lithium citrate
Resolution 2.20 Å R-free 0.230
6GQX KRAS-169 Q61H GPPNHP + CH-2 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 1–167（167 aa）
Mutation：Q61H GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v polyethylene glycol 3350 and 0.2 M Lithium citrate
Resolution 2.20 Å R-free 0.230
6GQY KRAS-169 Q61H GPPNHP + CH-3 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–167（167 aa）
Mutation：Q61H MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 F8Q [4-[[3-fluoranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v polyethylene glycol 3350 and 0.2M Lithium citrate
Resolution 2.75 Å R-free 0.247
6GQY KRAS-169 Q61H GPPNHP + CH-3 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–167（167 aa）
Mutation：Q61H MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 F8Q [4-[[3-fluoranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v polyethylene glycol 3350 and 0.2M Lithium citrate
Resolution 2.75 Å R-free 0.247
6GQY KRAS-169 Q61H GPPNHP + CH-3 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–167（167 aa）
Mutation：Q61H MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 F8Q [4-[[3-fluoranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v polyethylene glycol 3350 and 0.2M Lithium citrate
Resolution 2.75 Å R-free 0.247
6GQY KRAS-169 Q61H GPPNHP + CH-3 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–167（167 aa）
Mutation：Q61H MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 F8Q [4-[[3-fluoranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v polyethylene glycol 3350 and 0.2M Lithium citrate
Resolution 2.75 Å R-free 0.247
6GQY KRAS-169 Q61H GPPNHP + CH-3 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 1–167（167 aa）
Mutation：Q61H MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v polyethylene glycol 3350 and 0.2M Lithium citrate
Resolution 2.75 Å R-free 0.247
6GQY KRAS-169 Q61H GPPNHP + CH-3 Deposited 2018-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 1–167（167 aa）
Mutation：Q61H MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；8-15% w/v polyethylene glycol 3350 and 0.2M Lithium citrate
Resolution 2.75 Å R-free 0.247
6H46 Human KRAS in complex with darpin K13 Deposited 2018-07-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–166（166 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.5-1.0M lithium sulfate 0.5-1.0M ammonium sulfate 100mM tri-sodium citrate pH5.5
Resolution 2.22 Å R-free 0.230
6H47 Human KRAS in complex with darpin K19 Deposited 2018-07-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–166（166 aa）
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.5-1.0M lithium sulfate 0.5-1.0M ammonium sulfate 100mM tri-solium citrate pH 5.5
Resolution 1.70 Å R-free 0.208
6M9W Structure of Mg-free KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation Deposited 2018-08-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–169（168 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.2；293 K；0.056 M NaPO4.H2O, 1.344 M K2PO4, pH 8.2
Resolution 1.50 Å R-free 0.181
6M9W Structure of Mg-free KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation Deposited 2018-08-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–169（168 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.2；293 K；0.056 M NaPO4.H2O, 1.344 M K2PO4, pH 8.2
Resolution 1.50 Å R-free 0.181
6MBQ Crystal structure of Mg-free wild-type KRAS (2-166) bound to GMPPNP in the state 1 conformation Deposited 2018-08-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–166（165 aa）
Not recorded NA SODIUM ION × 1 EDO 1,2-ETHANEDIOL × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；200 mM Ammonium Fluoride, 20% PEG 3350
Resolution 1.35 Å R-free 0.179
6MBT Crystal structure of wild-type KRAS bound to GDP and Mg (Space group C2) Deposited 2018-08-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；6% 2-Propanol, 0.1 M Na acetate pH 4.5, 26% PEG MME 550
Resolution 1.45 Å R-free 0.215
6MBT Crystal structure of wild-type KRAS bound to GDP and Mg (Space group C2) Deposited 2018-08-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；6% 2-Propanol, 0.1 M Na acetate pH 4.5, 26% PEG MME 550
Resolution 1.45 Å R-free 0.215
6MBU Crystal structure of wild-type KRAS (1-169) bound to GDP and Mg (Space group P3) Deposited 2018-08-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 3 GDP GUANOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.2 M MgCl2, 0.1 M TRIS HCl pH 8.5, 30% PEG 4K
Resolution 1.45 Å R-free 0.181
6MBU Crystal structure of wild-type KRAS (1-169) bound to GDP and Mg (Space group P3) Deposited 2018-08-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.2 M MgCl2, 0.1 M TRIS HCl pH 8.5, 30% PEG 4K
Resolution 1.45 Å R-free 0.181
6MNX Structural basis of impaired hydrolysis in KRAS Q61H mutant Deposited 2018-10-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GTP GUANOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M MMT, 24% PEG 6000 and 1% 1,2-butanediol, pH 6.5
Resolution 2.20 Å R-free 0.254
6MNX Structural basis of impaired hydrolysis in KRAS Q61H mutant Deposited 2018-10-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded GTP GUANOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M MMT, 24% PEG 6000 and 1% 1,2-butanediol, pH 6.5
Resolution 2.20 Å R-free 0.254
6MNX Structural basis of impaired hydrolysis in KRAS Q61H mutant Deposited 2018-10-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Not recorded GTP GUANOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M MMT, 24% PEG 6000 and 1% 1,2-butanediol, pH 6.5
Resolution 2.20 Å R-free 0.254
6MNX Structural basis of impaired hydrolysis in KRAS Q61H mutant Deposited 2018-10-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–169（169 aa）
Not recorded GTP GUANOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M MMT, 24% PEG 6000 and 1% 1,2-butanediol, pH 6.5
Resolution 2.20 Å R-free 0.254
6MNX Structural basis of impaired hydrolysis in KRAS Q61H mutant Deposited 2018-10-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 1–169（169 aa）
Not recorded GTP GUANOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M MMT, 24% PEG 6000 and 1% 1,2-butanediol, pH 6.5
Resolution 2.20 Å R-free 0.254
6MNX Structural basis of impaired hydrolysis in KRAS Q61H mutant Deposited 2018-10-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 1–169（169 aa）
Not recorded GTP GUANOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M MMT, 24% PEG 6000 and 1% 1,2-butanediol, pH 6.5
Resolution 2.20 Å R-free 0.254
6MQG Crystal structure of KRAS V14I-GDP demonstrating open switch 1 conformation - Form 1 Deposited 2018-10-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–169（167 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；1.8 M Na/K Phosphate, pH 8.2
Resolution 1.50 Å R-free 0.195
6MQN Crystal structure of KRAS V14I-GDP demonstrating disorder switch 1 conformation - Form 2 Deposited 2018-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；1.8M Na/K Phosphate pH 8.2
Resolution 1.60 Å R-free 0.227
6MQN Crystal structure of KRAS V14I-GDP demonstrating disorder switch 1 conformation - Form 2 Deposited 2018-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；1.8M Na/K Phosphate pH 8.2
Resolution 1.60 Å R-free 0.227
6MQN Crystal structure of KRAS V14I-GDP demonstrating disorder switch 1 conformation - Form 2 Deposited 2018-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；1.8M Na/K Phosphate pH 8.2
Resolution 1.60 Å R-free 0.227
6MS9 GDP-bound KRAS P34R mutant Deposited 2018-10-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；1.8 M Na/K-phosphate pH 8.3
Resolution 1.49 Å R-free 0.232
6MS9 GDP-bound KRAS P34R mutant Deposited 2018-10-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；1.8 M Na/K-phosphate pH 8.3
Resolution 1.49 Å R-free 0.232
6MS9 GDP-bound KRAS P34R mutant Deposited 2018-10-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；1.8 M Na/K-phosphate pH 8.3
Resolution 1.49 Å R-free 0.232
6MTA KRAS P34R mutant structure in complex with GTP analogue Deposited 2018-10-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；1.8 M Na/K-phosphate pH 8.2-8.5
Resolution 2.15 Å R-free 0.243
6MTA KRAS P34R mutant structure in complex with GTP analogue Deposited 2018-10-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；1.8 M Na/K-phosphate pH 8.2-8.5
Resolution 2.15 Å R-free 0.243
6MTA KRAS P34R mutant structure in complex with GTP analogue Deposited 2018-10-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；1.8 M Na/K-phosphate pH 8.2-8.5
Resolution 2.15 Å R-free 0.243
6N2J Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C Deposited 2018-11-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12C,C51S,C80L,C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 K9M 1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；0.1M Na Citrate, pH 5.0 29% PEG8000 0.2M Amm Acetate
Resolution 1.80 Å R-free 0.204
6N2K Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C Deposited 2018-11-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12C,C51S,C80L,C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 K9J 1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.2；277 K；0.1M Na Citrate, pH 4.2 25% PEG 8000 0.2M Amm Acetate
Resolution 1.72 Å R-free 0.172
6O36 Crystal structure of human KRAS P34R mutant in complex with GNP Deposited 2019-02-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–168（168 aa）
Not recorded MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；1.6-1.8 M sodium/potassium phosphate, pH 8.2
Resolution 2.00 Å R-free 0.222
6O36 Crystal structure of human KRAS P34R mutant in complex with GNP Deposited 2019-02-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–168（168 aa）
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；1.6-1.8 M sodium/potassium phosphate, pH 8.2
Resolution 2.00 Å R-free 0.222
6O36 Crystal structure of human KRAS P34R mutant in complex with GNP Deposited 2019-02-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–168（168 aa）
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；1.6-1.8 M sodium/potassium phosphate, pH 8.2
Resolution 2.00 Å R-free 0.222
6O46 Crystal structure of human KRAS P34R mutant in complex with GNP and Phosphate Deposited 2019-02-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–168（168 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.8-2.0 M sodium/potassium phosphate, pH 8.0-8.4
Resolution 1.90 Å R-free 0.210
6O46 Crystal structure of human KRAS P34R mutant in complex with GNP and Phosphate Deposited 2019-02-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–168（168 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.8-2.0 M sodium/potassium phosphate, pH 8.0-8.4
Resolution 1.90 Å R-free 0.210
6O46 Crystal structure of human KRAS P34R mutant in complex with GNP and Phosphate Deposited 2019-02-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–168（168 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.8-2.0 M sodium/potassium phosphate, pH 8.0-8.4
Resolution 1.90 Å R-free 0.210
6OB2 Crystal structure of wild-type KRAS (GMPPNP-bound) in complex with GAP-related domain (GRD) of neurofibromin (NF1) Deposited 2019-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Not recorded GOL GLYCEROL × 2 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 IMD IMIDAZOLE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Tris pH 8.0 and 19% PAA-co-maleic acid
Resolution 2.85 Å R-free 0.247
6OB2 Crystal structure of wild-type KRAS (GMPPNP-bound) in complex with GAP-related domain (GRD) of neurofibromin (NF1) Deposited 2019-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Tris pH 8.0 and 19% PAA-co-maleic acid
Resolution 2.85 Å R-free 0.247
6OB3 Crystal structure of G13D-KRAS (GMPPNP-bound) in complex with GAP-related domain (GRD) of neurofibromin (NF1) Deposited 2019-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G13D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1 M MES pH 6.0 and 25% Pentaerythritol propoxylate (5/4 PO/OH)
Resolution 2.10 Å R-free 0.226
6OB3 Crystal structure of G13D-KRAS (GMPPNP-bound) in complex with GAP-related domain (GRD) of neurofibromin (NF1) Deposited 2019-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–169（169 aa）
Mutation：G13D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1 M MES pH 6.0 and 25% Pentaerythritol propoxylate (5/4 PO/OH)
Resolution 2.10 Å R-free 0.226
6OIM Crystal Structure of human KRAS G12C covalently bound to AMG 510 Deposited 2019-04-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C51S,C80L,C118S MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MOV AMG 510 (bound form) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；1mM MgCl2, 0.1M MES pH6.5, 30% PEG4000
Resolution 1.65 Å R-free 0.215
6P0Z Crystal structure of N-acetylated KRAS (2-169) bound to GDP and Mg Deposited 2019-05-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–169（168 aa）
Not recorded MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 ACE ACETYL GROUP × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；100mM BS1 pH 6.5, 100mM AminoAcids, 30% PEG500MME_P20K
Resolution 1.01 Å R-free 0.166
6P0Z Crystal structure of N-acetylated KRAS (2-169) bound to GDP and Mg Deposited 2019-05-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–169（168 aa）
Not recorded MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 ACE ACETYL GROUP × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；100mM BS1 pH 6.5, 100mM AminoAcids, 30% PEG500MME_P20K
Resolution 1.01 Å R-free 0.166
6P8W Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor. Deposited 2019-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C51S,C80L,C118S CA CALCIUM ION × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 1 O67 N-(5-bromo-2-{2-oxo-2-[(1-propanoylazetidin-3-yl)amino]ethoxy}phenyl)-3-methyl-1,2-oxazole-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.2M Calcium chloride, 0.1M MES pH6.5, 30% PEG4000
Resolution 2.10 Å R-free 0.277
6P8W Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor. Deposited 2019-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：C51S,C80L,C118S CA CALCIUM ION × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 1 O67 N-(5-bromo-2-{2-oxo-2-[(1-propanoylazetidin-3-yl)amino]ethoxy}phenyl)-3-methyl-1,2-oxazole-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.2M Calcium chloride, 0.1M MES pH6.5, 30% PEG4000
Resolution 2.10 Å R-free 0.277
6P8X Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor. Deposited 2019-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C51S,C80L,C118S CA CALCIUM ION × 3 GDP GUANOSINE-5'-DIPHOSPHATE × 1 O5V 2-[4-bromo-2-(3-phenyl-2,5-dihydro-1H-pyrrole-1-carbonyl)phenoxy]-N-(1-propanoylazetidin-3-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M Calcium chloride, 20% PEG3350
Resolution 2.11 Å R-free 0.313
6P8X Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor. Deposited 2019-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：C51S,C80L,C118S CA CALCIUM ION × 3 GDP GUANOSINE-5'-DIPHOSPHATE × 1 O5V 2-[4-bromo-2-(3-phenyl-2,5-dihydro-1H-pyrrole-1-carbonyl)phenoxy]-N-(1-propanoylazetidin-3-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M Calcium chloride, 20% PEG3350
Resolution 2.11 Å R-free 0.313
6P8X Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor. Deposited 2019-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Mutation：C51S,C80L,C118S CA CALCIUM ION × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 1 O5V 2-[4-bromo-2-(3-phenyl-2,5-dihydro-1H-pyrrole-1-carbonyl)phenoxy]-N-(1-propanoylazetidin-3-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M Calcium chloride, 20% PEG3350
Resolution 2.11 Å R-free 0.313
6P8X Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor. Deposited 2019-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–169（169 aa）
Mutation：C51S,C80L,C118S CA CALCIUM ION × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 1 O5V 2-[4-bromo-2-(3-phenyl-2,5-dihydro-1H-pyrrole-1-carbonyl)phenoxy]-N-(1-propanoylazetidin-3-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M Calcium chloride, 20% PEG3350
Resolution 2.11 Å R-free 0.313
6P8Y Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor. Deposited 2019-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C51S,C80L,C118S MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 O5Y 2-[5-bromo-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；0.2M Ammonium acetate, 0.1M Sodium citrate pH5.6, 32% PEG4000, 0.005M Magnesium chloride
Resolution 2.31 Å R-free 0.269
6P8Y Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor. Deposited 2019-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：C51S,C80L,C118S MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 O5Y 2-[5-bromo-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；0.2M Ammonium acetate, 0.1M Sodium citrate pH5.6, 32% PEG4000, 0.005M Magnesium chloride
Resolution 2.31 Å R-free 0.269
6P8Z Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor Deposited 2019-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C51S,C80L,C118S CA CALCIUM ION × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 1 O5S 2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-methyl-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.2M Calcium chloride, 0.1M TRIS pH8.5, 20% PEG 4000
Resolution 1.65 Å R-free 0.269
6P8Z Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor Deposited 2019-06-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：C51S,C80L,C118S CA CALCIUM ION × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 1 O5S 2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-methyl-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.2M Calcium chloride, 0.1M TRIS pH8.5, 20% PEG 4000
Resolution 1.65 Å R-free 0.269
6PGO Crystal structure of human KRAS G12C covalently bound to a phthalazine inhibitor Deposited 2019-06-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C51S,C80L,C118S MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 OJ1 1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；0.2M ammonium acetate, 0.1M sodium citrate pH5.6, 32% PEG 400, 5mM magnesium chloride
Resolution 1.60 Å R-free 0.231
6PGO Crystal structure of human KRAS G12C covalently bound to a phthalazine inhibitor Deposited 2019-06-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：C51S,C80L,C118S MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 OJ1 1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；0.2M ammonium acetate, 0.1M sodium citrate pH5.6, 32% PEG 400, 5mM magnesium chloride
Resolution 1.60 Å R-free 0.231
6PGP Crystal structure of human KRAS G12C covalently bound to a quinazolinone inhibitor Deposited 2019-06-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C51S,C80L,C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 CA CALCIUM ION × 2 OHY 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M calcium acetate, 25% PEG 3350
Resolution 1.50 Å R-free 0.216
6PGP Crystal structure of human KRAS G12C covalently bound to a quinazolinone inhibitor Deposited 2019-06-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：C51S,C80L,C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 CA CALCIUM ION × 2 OHY 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M calcium acetate, 25% PEG 3350
Resolution 1.50 Å R-free 0.216
6PQ3 Crystal structure of GDP-bound KRAS with ten residues long internal tandem duplication in the switch II region Deposited 2019-07-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：Internal tandem duplication of 10 amino acid (55-64) GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；200 mM lithium acetate and 2.2 M ammonium sulfate
Resolution 1.75 Å R-free 0.217
6PTS NMR data-driven model of KRas-GMPPNP:RBD-CRD complex tethered to a nanodisc (state A) Deposited 2019-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 1–185（185 aa）
Not recorded PCW 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE × 64 17F O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine × 16 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ZN ZINC ION × 2 SOLUTION NMR
NMR measurement conditions pH 5.5；298 K；Ionic strength (raw mmCIF value) 450；Pressure 1
NMR measurement conditions pH 5.5；308 K；Ionic strength (raw mmCIF value) 150；Pressure 1
NMR sample composition 0.2 mM U-2H; U-15N; Ile Leu C-delta-13C, Val C-gamma-13C KRAS, 0.2 mM U-12C, 14N, 1H RBD-CRD, 0.4 mM U-12C, 14N, 1H MSP, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.2 mM U-12C, 14N, 1H KRAS, 0.2 mM U-2H; U-15N; Ile Leu C-delta-13C, Val C-gamma-13C RBD-CRD, 0.4 mM U-12C, 14N, 1H MSP, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.2 mM U-12C, 14N, 1H KRAS, 0.2 mM U-2H; U-15N; Ile Leu C-delta-13C, Val C-gamma-13C RBD-CRD, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.2 mM U-12C, 14N, 1H KRAS, 0.2 mM U-2H; U-15N; Ile Leu C-delta-13C, Val C-gamma-13C RBD-CRD, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.5 mM U-15N; Ile C-delta-13C, Met methyl-13C KRAS, 0.5 mM Leu C-delta-13C, Val C-gamma-13C, RBD-CRD, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.5 mM [U-99% 15N]; [U-13C]; RBD, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.3 mM [U-99% 15N]; [U-13C]; CRD, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
6PTW NMR data-driven model of KRas-GMPPNP:RBD-CRD complex tethered to a nanodisc (state B) Deposited 2019-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 1–185（185 aa）
Not recorded PCW 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE × 64 17F O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine × 16 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ZN ZINC ION × 2 SOLUTION NMR
NMR measurement conditions pH 5.5；298 K；Ionic strength (raw mmCIF value) 450；Pressure 1
NMR measurement conditions pH 5.5；308 K；Ionic strength (raw mmCIF value) 150；Pressure 1
NMR sample composition 0.2 mM [Ile, Leu C-delta-13C; Val C-gamma-13C; U-15N; U-2H] KRAS, 0.2 mM [U-12C; U-14N; U-1H] RBD-CRD, 0.4 mM [U-12C; U-14N; U-1H] MSP, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.2 mM [U-12C; U-14N; U-1H] KRAS, 0.2 mM [Ile, Leu C-delta-13C; Val C-gamma-13C; U-15N; U-2H] RBD-CRD, 0.4 mM [U-12C; U-14N; U-1H] MSP, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.2 mM [Ile, Leu C-delta-13C; Val C-gamma-13C; U-15N] RBD-CRD, 0.2 mM [U-12C; U-14N; U-1H] KRAS Q43C, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.2 mM [Ile, Leu C-delta-13C; Val C-gamma-13C; U-15N] RBD-CRD, 0.2 mM [U-12C; U-14N; U-1H] KRAS N-term C, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.5 mM [U-15N; Ile C-delta-13C; Met methyl-13C] KRAS, 0.5 mM [Leu C-delta-13C; Val C-gamma-13C] RBD-CRD, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.5 mM [U-13C; U-15N] RBD, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.5 mM [U-13C; U-15N] CRD, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
6QUU Crystal Structure of KRAS-G12D in complex with GMP-PCP Deposited 2019-02-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.4；277 K；52% MPD, 0.06M MES
Resolution 1.48 Å R-free 0.204
6QUU Crystal Structure of KRAS-G12D in complex with GMP-PCP Deposited 2019-02-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.4；277 K；52% MPD, 0.06M MES
Resolution 1.48 Å R-free 0.204
6QUV Crystal Structure of KRAS-G12D in complex with GMP-PCP and compound 15R Deposited 2019-02-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Chain B 1–169（169 aa）
Not recorded GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 2 MG MAGNESIUM ION × 2 JJN (6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.4；277 K；52% MPD, 0.06 M MES
Resolution 1.48 Å R-free 0.208
6QUW Crystal Structure of KRAS-G12D in Complex with Natural Product-Like Compound 9b Deposited 2019-02-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Chain B 1–169（169 aa）
Not recorded GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 2 MG MAGNESIUM ION × 2 JJQ (3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.4；277 K；52% MPD, 0.06 M MES
Resolution 1.24 Å R-free 0.210
6QUX Crystal Structure of KRAS-G12D in Complex with Natural Product-Like Compound 15 Deposited 2019-02-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Chain B 1–169（169 aa）
Not recorded GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 2 MG MAGNESIUM ION × 2 EDO 1,2-ETHANEDIOL × 2 JJN (6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.4；277 K；52% MPD, 0.06 M MES
Resolution 1.62 Å R-free 0.223
6T5B KRasG12C ligand complex Deposited 2019-10-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 O7K pyrazinoquinolinone × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；50mM HEPES pH 7.4, 100mM NaCl, 2mM MgSO4
Resolution 1.37 Å R-free 0.231
6T5V KRasG12C ligand complex Deposited 2019-10-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MKZ 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；50mM HEPES 100mM NaCl 2mM MgSO4
Resolution 1.31 Å R-free 0.205
6TAM X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 3) Deposited 2019-10-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12C, C51S, C80L, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 MZQ 7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-isoquinolin-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；293 K；100 mM MES pH 6.9 and 34% PEG 4000
Resolution 1.64 Å R-free 0.201
6TAN X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 17) Deposited 2019-10-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12C, C51S, C80L, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 MZN 7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-2,6-naphthyridin-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.3；293 K；100 NANOLITER COVALENTLY MODIFIED KRAS (CONCENTRATION 18.8 MG/ML, IN 0.02 M HEPES PH 7.5, 0.15 M NACL, 0.001 M MGCL2) ADDED TO 100 NANOLITER RESERVOIR (0.1 M NA-MES PH 6.3, 31 % PEG 4000)
Resolution 1.16 Å R-free 0.183
6USX Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer Deposited 2019-10-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12C, C51S, C80L, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 M1R 1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；293 K；29% PEG8K 0.1M NaCitrate pH 5.4 0.2M Amm Acetate
Resolution 2.27 Å R-free 0.250
6USX Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer Deposited 2019-10-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12C, C51S, C80L, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 M1R 1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；293 K；29% PEG8K 0.1M NaCitrate pH 5.4 0.2M Amm Acetate
Resolution 2.27 Å R-free 0.250
6USZ Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer Deposited 2019-10-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12C, C51S, C80L, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 QH4 {(2S)-4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；23% PEG8K 0.1M NaCitrate pH 4.6 0.2M Amm Acetate
Resolution 2.03 Å R-free 0.226
6UT0 Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer Deposited 2019-10-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12C, C51S, C80L, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 M1X {(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2S)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；32% PEG 4K 0.1M NaOAc (unbuffered) 8% 2-Propanol
Resolution 1.94 Å R-free 0.222
6UT0 Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer Deposited 2019-10-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12C, C51S, C80L, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 M1X {(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2S)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；32% PEG 4K 0.1M NaOAc (unbuffered) 8% 2-Propanol
Resolution 1.94 Å R-free 0.222
6UT0 Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer Deposited 2019-10-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Mutation：G12C, C51S, C80L, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 M1X {(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2S)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；32% PEG 4K 0.1M NaOAc (unbuffered) 8% 2-Propanol
Resolution 1.94 Å R-free 0.222
6UT0 Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer Deposited 2019-10-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–169（169 aa）
Mutation：G12C, C51S, C80L, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 M1X {(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2S)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；32% PEG 4K 0.1M NaOAc (unbuffered) 8% 2-Propanol
Resolution 1.94 Å R-free 0.222
6V5L The HADDOCK structure model of GDP KRas in complex with its allosteric inhibitor E22 Deposited 2019-12-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 QPD (2R)-2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide × 1 SOLUTION NMR
NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 115；Pressure 1
NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 115；Pressure 1
NMR sample composition 0.8 mM [U-99% 13C; U-99% 15N] KRAS, 1.0 mM E22, 5 mM [U-99% 2H] DTT, 10 uM [U-99% 2H] DSS, 25 mM nature abundance sodium phosphate, 50 mM sodium chloride, 5 mM MAGNESIUM ION, 95% H2O/5% D2O | 95% H2O/5% D2O
NMR sample composition 0.8 mM [U-99% 13C; U-99% 15N] KRas, 1.0 mM E22, 5 mM [U-99% 2H] DTT, 10 uM [U-99% 2H] DSS, 25 mM sodium phosphate, 50 mM sodium chloride, 5 mM MAGNESIUM ION, 100% D2O | 100% D2O
Resolution not provided
6V65 Crystal structure of KRAS(GMPPNP)-NF1(GRD)-SPRED1 complex Deposited 2019-12-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–169（169 aa）
Not recorded ZN ZINC ION × 1 FMT FORMIC ACID × 4 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；277 K；100 mM Tris pH7.8 100 mM ammonium sulfate 300 mM sodium formate 3% PEG3350, 3.5% PGA-LM 10% detergent ANAPOE-80
Resolution 2.76 Å R-free 0.241
6V6F Crystal structure of Q61L KRAS(GMPPNP)-NF1(GRD)-SPRED1(EVH1) complex Deposited 2019-12-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–169（169 aa）
Mutation：Q61L ZN ZINC ION × 1 FMT FORMIC ACID × 4 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；277 K；100 mM Tris pH 7.8, 100 mM ammonium sulfate, 300 mM sodium formate, 3% PEG3350, 3.5% PGA-LM 10% detergent ANAPOE-80
Resolution 2.54 Å R-free 0.265
6VC8 Crystal structure of wild-type KRAS4b(1-169) in complex with GMPPNP and Mg ion Deposited 2019-12-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；32% PEG 4000, 800 mM LiCl, 100 mM Magnesium Chloride and 100 mM Tris pH 8.5
Resolution 2.50 Å R-free 0.277
6VC8 Crystal structure of wild-type KRAS4b(1-169) in complex with GMPPNP and Mg ion Deposited 2019-12-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；32% PEG 4000, 800 mM LiCl, 100 mM Magnesium Chloride and 100 mM Tris pH 8.5
Resolution 2.50 Å R-free 0.277
6VC8 Crystal structure of wild-type KRAS4b(1-169) in complex with GMPPNP and Mg ion Deposited 2019-12-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；32% PEG 4000, 800 mM LiCl, 100 mM Magnesium Chloride and 100 mM Tris pH 8.5
Resolution 2.50 Å R-free 0.277
6VJJ Crystal Structure of wild-type KRAS4b (GMPPNP-bound) in complex with RAS-binding domain (RBD) of RAF1/CRAF Deposited 2020-01-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 CL CHLORIDE ION × 3 EDO 1,2-ETHANEDIOL × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.09M Halogens, 0.1M Imidazole.MES pH 6.5, 37.5% MPD, PEG 1000 and PEG 3350
Resolution 1.40 Å R-free 0.195
6W4E NMR-driven structure of KRAS4B-GTP homodimer on a lipid bilayer nanodisc Deposited 2020-03-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 2–185（184 aa）
Chain C 2–185（184 aa）
Not recorded PCW 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE × 64 17F O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine × 16 GSP 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE × 2 MG MAGNESIUM ION × 2 SOLUTION NMR
NMR measurement conditions pH 7.4；288 K；Ionic strength (raw mmCIF value) 100；Pressure 1
NMR sample composition 80 uM ILV 13C-methyl; Lys 15N-amide KRAS4B, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
6W4F NMR-driven structure of KRAS4B-GDP homodimer on a lipid bilayer nanodisc Deposited 2020-03-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 2–185（184 aa）
Chain C 2–185（184 aa）
Not recorded PCW 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE × 64 17F O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine × 16 GDP GUANOSINE-5'-DIPHOSPHATE × 2 MG MAGNESIUM ION × 2 SOLUTION NMR
NMR measurement conditions pH 7.4；288 K；Ionic strength (raw mmCIF value) 100；Pressure 1
NMR sample composition 80 uM ILV 13C-methyl; Lys 15N-amide KRAS4B, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
6WGN Crystal structure of K-Ras(G12D) GppNHp bound to cyclic peptide ligand KD2 Deposited 2020-04-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G12D, C51S, C80L, C118S GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；PEG 4000, Tris, Lithium sulfate
Resolution 1.60 Å R-free 0.214
6WGN Crystal structure of K-Ras(G12D) GppNHp bound to cyclic peptide ligand KD2 Deposited 2020-04-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：G12D, C51S, C80L, C118S GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；PEG 4000, Tris, Lithium sulfate
Resolution 1.60 Å R-free 0.214
6WGN Crystal structure of K-Ras(G12D) GppNHp bound to cyclic peptide ligand KD2 Deposited 2020-04-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–169（169 aa）
Mutation：G12D, C51S, C80L, C118S GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；PEG 4000, Tris, Lithium sulfate
Resolution 1.60 Å R-free 0.214
6WS2 Crystal structure of KRAS-K104Q mutant, GDP-bound Deposited 2020-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：K104Q GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Tris pH 8.5 and 2 M ammonium sulfate
Resolution 1.59 Å R-free 0.195
6WS2 Crystal structure of KRAS-K104Q mutant, GDP-bound Deposited 2020-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：K104Q GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Tris pH 8.5 and 2 M ammonium sulfate
Resolution 1.59 Å R-free 0.195
6WS2 Crystal structure of KRAS-K104Q mutant, GDP-bound Deposited 2020-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Mutation：K104Q GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Tris pH 8.5 and 2 M ammonium sulfate
Resolution 1.59 Å R-free 0.195
6WS2 Crystal structure of KRAS-K104Q mutant, GDP-bound Deposited 2020-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–169（169 aa）
Mutation：K104Q GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Tris pH 8.5 and 2 M ammonium sulfate
Resolution 1.59 Å R-free 0.195
6WS4 Crystal structure of KRAS-G12D/K104Q mutant, GDP-bound Deposited 2020-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D, K104Q GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；293 K；3.0 % Xylitol, 0.2 M ammonium acetate and 2.2 M ammonium sulfate
Resolution 1.84 Å R-free 0.158
6WS4 Crystal structure of KRAS-G12D/K104Q mutant, GDP-bound Deposited 2020-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D, K104Q GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 TCE 3,3',3''-phosphanetriyltripropanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；293 K；3.0 % Xylitol, 0.2 M ammonium acetate and 2.2 M ammonium sulfate
Resolution 1.84 Å R-free 0.158
6WS4 Crystal structure of KRAS-G12D/K104Q mutant, GDP-bound Deposited 2020-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Mutation：G12D, K104Q GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；293 K；3.0 % Xylitol, 0.2 M ammonium acetate and 2.2 M ammonium sulfate
Resolution 1.84 Å R-free 0.158
6WS4 Crystal structure of KRAS-G12D/K104Q mutant, GDP-bound Deposited 2020-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–169（169 aa）
Mutation：G12D, K104Q GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；293 K；3.0 % Xylitol, 0.2 M ammonium acetate and 2.2 M ammonium sulfate
Resolution 1.84 Å R-free 0.158
6XGU Crystal Structure of KRAS-Q61R (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF Deposited 2020-06-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：Q61R GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ZN ZINC ION × 3 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；293 K；100 mM Tris 7.8, 200 mM KBr, 200 mM KSCN, 3% PGA, 0.35 mM D-myo-phosphatidylinositol 3,4,5-triphosphate
Resolution 2.70 Å R-free 0.236
6XGV Crystal Structure of KRAS-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF Deposited 2020-06-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G13D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ZN ZINC ION × 3 GOL GLYCEROL × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；100 mM sodium cacodylate pH 6.5, 700 mM sodium acetate, 0.35 mM D-myo-phosphatidylinositol 3,4,5-triphosphate
Resolution 2.11 Å R-free 0.204
6XHB Crystal Structure of wild-type KRAS (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF (crystal form II) Deposited 2020-06-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 3 GOL GLYCEROL × 2 IPA ISOPROPYL ALCOHOL × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；100 mM sodium cacodylate pH 6.5, 200 mM sodium citrate, 15% 2-propanol, 0.25% (w/v) n-octyl-beta-D-glucoside, 0.35 mM D-myo-phosphatidylinositol 3,4,5-triphosphate, and 0.25% (w/v) n-dodecyl-beta-D-maltoside
Resolution 2.50 Å R-free 0.221
6YR8 Affimer K6 - KRAS protein complex Deposited 2020-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–166（166 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；0.1M sodium acetate, 25% w/v PEG 4000, 0.2M ammonium sulfate, 5% MPD
Resolution 1.90 Å R-free 0.246
6YXW Affimer K3 - KRAS protein complex Deposited 2020-05-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–167（167 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；291 K；2M ammonium sulfate, 0.2M potassium sodium tartrate, 0.1M tri-sodium citrate
Resolution 2.06 Å R-free 0.278
6YXW Affimer K3 - KRAS protein complex Deposited 2020-05-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–167（167 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；291 K；2M ammonium sulfate, 0.2M potassium sodium tartrate, 0.1M tri-sodium citrate
Resolution 2.06 Å R-free 0.278
6ZL5 CRYSTAL STRUCTURE OF KRAS-G12D(C118S) IN COMPLEX WITH BI-2852 AND GDP Deposited 2020-06-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 F0K (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；278 K；2M Ammonium sulfate 100mM Sodium cacodylate 200mM Sodium cloride
Resolution 1.65 Å R-free 0.209
6ZLI CRYSTAL STRUCTURE OF KRAS-G12D IN COMPLEX WITH COMPOUND 13 AND GCP Deposited 2020-06-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；278 K；51.8% MPD 50mM MES PH= 6.4
Resolution 1.73 Å R-free 0.220
6ZLI CRYSTAL STRUCTURE OF KRAS-G12D IN COMPLEX WITH COMPOUND 13 AND GCP Deposited 2020-06-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 QME 2-[(2~{R})-piperidin-2-yl]-1~{H}-indole × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；278 K；51.8% MPD 50mM MES PH= 6.4
Resolution 1.73 Å R-free 0.220
7A1X KRASG12C GDP form in complex with Cpd1 Deposited 2020-08-14 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa）
Mutation：G12C GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 QWB 3-(imidazol-1-ylmethyl)-1~{H}-indole × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；TRIS 100mM - PEG 4K 23% - Na Acet 100mM - pH8.5
Resolution 1.32 Å R-free 0.174
7A1Y KRASG12C GDP form in complex with Cpd2 Deposited 2020-08-14 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa）
Mutation：G12C QWH ~{N}-(3-bromanyl-2,6-dimethyl-pyridin-4-yl)propanamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；HEPES 100mM - (NH4)2SO4 2.25M - pH7.5
Resolution 2.00 Å R-free 0.210
7ACA CRYSTAL STRUCTURE OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747 Deposited 2020-09-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Chain D 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 2 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 2 R6W (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；Morpheus Screen D12 Morpheus Alcohol 10% Morpheus Buffer 3 MPD_P1K_P3350 37.5% w/v
Resolution 1.57 Å R-free 0.205
7ACA CRYSTAL STRUCTURE OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747 Deposited 2020-09-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Chain C 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 2 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 2 R6W (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；Morpheus Screen D12 Morpheus Alcohol 10% Morpheus Buffer 3 MPD_P1K_P3350 37.5% w/v
Resolution 1.57 Å R-free 0.205
7ACF CRYSTAL STRUCTURE OF CRYSTAL FORM 2 OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747 Deposited 2020-09-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Chain B 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 2 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 2 R6W (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；278 K；Morpheus Screen E9
Resolution 1.91 Å R-free 0.198
7ACF CRYSTAL STRUCTURE OF CRYSTAL FORM 2 OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747 Deposited 2020-09-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 1–169（169 aa）
Chain D 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 2 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 2 R6W (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；278 K；Morpheus Screen E9
Resolution 1.91 Å R-free 0.198
7ACH CRYSTAL STRUCTURE OF ACTIVE KRAS G12D (GPPCP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI-5747 Deposited 2020-09-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Chain B 1–169（169 aa）
Not recorded R6W (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one × 1 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；278 K；MPD 51% v/v 50mM MES pH 6.4
Resolution 1.90 Å R-free 0.214
7ACQ CRYSTAL STRUCTURE OF INACTIVE KRAS G12D (GDP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI-5747 Deposited 2020-09-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–169（169 aa）
Chain B 1–169（169 aa）
Chain C 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 3 MG MAGNESIUM ION × 3 R6W (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；278 K；200 mM CaCl2 100 mM MES pH6 PEG6000 20% W/v
Resolution 1.86 Å R-free 0.210
7C40 MgGDP bound KRAS G12V Deposited 2020-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–168（168 aa）
Mutation：G12V MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；Polyethylene glycol 3,350, 0.2M potassium nitrate (pH 6.8)
Resolution 2.52 Å R-free 0.226
7C41 KRAS G12V and H-REV107 peptide complex Deposited 2020-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–168（168 aa）
Mutation：G12V GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；polyethylene glycol 3350, 0.2 M potassium nitrate at pH 6.8
Resolution 2.28 Å R-free 0.283
7C41 KRAS G12V and H-REV107 peptide complex Deposited 2020-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain J 1–168（168 aa）
Mutation：G12V GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；polyethylene glycol 3350, 0.2 M potassium nitrate at pH 6.8
Resolution 2.28 Å R-free 0.283
7C41 KRAS G12V and H-REV107 peptide complex Deposited 2020-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain M 1–168（168 aa）
Mutation：G12V GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；polyethylene glycol 3350, 0.2 M potassium nitrate at pH 6.8
Resolution 2.28 Å R-free 0.283
7C41 KRAS G12V and H-REV107 peptide complex Deposited 2020-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain G 1–168（168 aa）
Mutation：G12V GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；polyethylene glycol 3350, 0.2 M potassium nitrate at pH 6.8
Resolution 2.28 Å R-free 0.283
7EW9 GDP-bound KRAS G12D in complex with TH-Z816 Deposited 2021-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D MG MAGNESIUM ION × 1 05C 7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8.5；293.15 K；0.2 M sodium acetate, 0.1 M Tris, pH 8.5, 26 % (w/v) PEG 3350
Resolution 2.13 Å R-free 0.257
7EW9 GDP-bound KRAS G12D in complex with TH-Z816 Deposited 2021-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D MG MAGNESIUM ION × 1 05C 7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8.5；293.15 K；0.2 M sodium acetate, 0.1 M Tris, pH 8.5, 26 % (w/v) PEG 3350
Resolution 2.13 Å R-free 0.257
7EW9 GDP-bound KRAS G12D in complex with TH-Z816 Deposited 2021-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Mutation：G12D MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8.5；293.15 K；0.2 M sodium acetate, 0.1 M Tris, pH 8.5, 26 % (w/v) PEG 3350
Resolution 2.13 Å R-free 0.257
7EWA GDP-bound KRAS G12D in complex with TH-Z827 Deposited 2021-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 05F 4-[(1~{R},5~{S})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8.5；297 K；0.2 M sodium acetate, 0.1 M Tris, pH 8.5, 26 % (w/v) PEG 3350
Resolution 2.25 Å R-free 0.258
7EWA GDP-bound KRAS G12D in complex with TH-Z827 Deposited 2021-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D MG MAGNESIUM ION × 1 05F 4-[(1~{R},5~{S})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8.5；297 K；0.2 M sodium acetate, 0.1 M Tris, pH 8.5, 26 % (w/v) PEG 3350
Resolution 2.25 Å R-free 0.258
7EWA GDP-bound KRAS G12D in complex with TH-Z827 Deposited 2021-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Mutation：G12D MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8.5；297 K；0.2 M sodium acetate, 0.1 M Tris, pH 8.5, 26 % (w/v) PEG 3350
Resolution 2.25 Å R-free 0.258
7EWB GDP-bound KRAS G12D in complex with TH-Z835 Deposited 2021-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 05I 4-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；297 K；0.2 M sodium acetate, 0.1 M Tris, pH 8.5, 26 % (w/v) PEG 3350
Resolution 1.99 Å R-free 0.246
7EWB GDP-bound KRAS G12D in complex with TH-Z835 Deposited 2021-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D MG MAGNESIUM ION × 1 05I 4-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；297 K；0.2 M sodium acetate, 0.1 M Tris, pH 8.5, 26 % (w/v) PEG 3350
Resolution 1.99 Å R-free 0.246
7EWB GDP-bound KRAS G12D in complex with TH-Z835 Deposited 2021-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Mutation：G12D MG MAGNESIUM ION × 1 05I 4-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；297 K；0.2 M sodium acetate, 0.1 M Tris, pH 8.5, 26 % (w/v) PEG 3350
Resolution 1.99 Å R-free 0.246
7KFZ Structure of a ternary KRas(G13D)-SOS complex Deposited 2020-10-15 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–169（169 aa）
Chain C 1–169（169 aa）
Mutation：G13D Mutation：G13D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.47 Å
7KMR Crystal structure analysis of human KRAS mutant Deposited 2020-11-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–185（185 aa）
Mutation：A59E GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；300 K；1.5 M sodium malonate, 0.1 M HEPES, pH 7.5
Resolution 1.51 Å R-free 0.197
7KYZ Solution structures of full-length K-RAS bound to GDP Deposited 2020-12-09 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–188（188 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.5；298 K；Ionic strength (raw mmCIF value) 0.15；Pressure 1
NMR sample composition 0.7-0.9 mM [U-100% 15N] GTPase KRas, 20 mM [U-2H] MES, 100 mM potassium chloride, 50 mM sodium chloride, 2 mM MgCl2, 1 mM [U-2H] TCEP, 7 mM [U-2H] D2O, 0.05 % sodium azide, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.7-0.9 mM [U-13C; U-15N] GTPase KRas, 20 mM [U-2H] MES, 100 mM potassium chloride, 50 mM sodium chloride, 2 mM MgCl2, 1 mM [U-2H] TCEP, 7 mM [U-2H] D2O, 0.05 % sodium azide, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
7LC1 Crystal Structure of KRAS4b (GMPPNP-bound) in complex with the RBD-PH domains of SIN1 Deposited 2021-01-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：Q25A MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；200 mM ammonium sulfate, 100 mM HEPES (N-2-hydroxyethyl piperazine-N-ethane sulfonic acid) pH 7.5, 25% PEG 3350
Resolution 2.35 Å R-free 0.279
7LC1 Crystal Structure of KRAS4b (GMPPNP-bound) in complex with the RBD-PH domains of SIN1 Deposited 2021-01-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–169（169 aa）
Mutation：Q25A MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；200 mM ammonium sulfate, 100 mM HEPES (N-2-hydroxyethyl piperazine-N-ethane sulfonic acid) pH 7.5, 25% PEG 3350
Resolution 2.35 Å R-free 0.279
7LC2 Crystal Structure of KRAS4b-Q61R (GMPPNP-bound) in complex with the RAS-binding domain (RBD) of SIN1 Deposited 2021-01-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：Q61R Non-standard monomer：Yes (specific site not provided by mmCIF) GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；100mM MMT buffer (DL-malic acid, MES and Tris base in 1:2:2 ratio) pH 5, 25% PEG (polyethylene glycol) 1500
Resolution 2.70 Å R-free 0.287
7LC2 Crystal Structure of KRAS4b-Q61R (GMPPNP-bound) in complex with the RAS-binding domain (RBD) of SIN1 Deposited 2021-01-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：Q61R Non-standard monomer：Yes (specific site not provided by mmCIF) GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；100mM MMT buffer (DL-malic acid, MES and Tris base in 1:2:2 ratio) pH 5, 25% PEG (polyethylene glycol) 1500
Resolution 2.70 Å R-free 0.287
7LGI The haddock model of GDP KRas in complex with promazine using chemical shift perturbations and intermolecular NOEs Deposited 2021-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 P2Z Promazine × 1 SOLUTION NMR
NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 115；Pressure 1 PA
NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 115；Pressure 1 PA
NMR sample composition 0.8 mM [U-99% 13C; U-99% 15N] KRAS, 1.0 mM P2Z, 5 mM [U-99% 2H] DTT, 10 uM [U-99% 2H] DSS, 25 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.8 mM [U-99% 13C; U-99% 15N] KRAS, 1.0 mM P2Z, 5 mM [U-99% 2H] DTT, 10 uM [U-99% 2H] DSS, 25 mM sodium phosphate, 50 mM sodium chloride, 100% D2O | 100% D2O
Resolution not provided
7MQU The haddock model of GDP KRas in complex with promethazine using NMR chemical shift perturbations Deposited 2021-05-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 ZM7 (2R)-N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine × 1 SOLUTION NMR
NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 115；Pressure 1
NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 115；Pressure 1
NMR sample composition 0.8 mM [U-99% 13C; U-99% 15N] GTPase KRas, 1.0 mM PMZ, 5 mM [U-99% 2H] DTT, 25 mM sodium phosphate, 50 mM sodium chloride, 10 uM [U-99% 2H] DSS, 5 mM MAGNESIUM ION, 95% H2O/5% D2O | 95% H2O/5% D2O
NMR sample composition 0.8 mM [U-99% 13C; U-99% 15N] GTPase KRas, 1.0 mM PMZ, 5 mM [U-99% 2H] DTT, 25 mM sodium phosphate, 50 mM sodium chloride, 5 mM MAGNESIUM ION, 10 uM [U-99% 2H] DSS, 100% D2O | 100% D2O
Resolution not provided
7NY8 Affimer K69 - KRAS protein complex Deposited 2021-03-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–167（167 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1M imidazole, 0.1M MES monohydrate, 20% w/v PEG 500 MME, 10% w/v PEG 20000, 0.12M 1,6-hexanediol, 0.12M 1,2-propanediol, 0.12M 1,4-butanediol, 0.12M 1-butanol, 0.12M 2-propanol, 0.12M 1,3-propanediol
Resolution 1.80 Å R-free 0.210
7NY8 Affimer K69 - KRAS protein complex Deposited 2021-03-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–167（167 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1M imidazole, 0.1M MES monohydrate, 20% w/v PEG 500 MME, 10% w/v PEG 20000, 0.12M 1,6-hexanediol, 0.12M 1,2-propanediol, 0.12M 1,4-butanediol, 0.12M 1-butanol, 0.12M 2-propanol, 0.12M 1,3-propanediol
Resolution 1.80 Å R-free 0.210
7O70 KRasG12C ligand complex Deposited 2021-04-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded V4T 1-[(4R,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2 × 1 MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；50mM HEPES pH 7.4, 100mM NaCl, 2mM MgSO4
Resolution 1.18 Å R-free 0.257
7O70 KRasG12C ligand complex Deposited 2021-04-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–169（169 aa）
Not recorded V4T 1-[(4R,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2 × 1 MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；50mM HEPES pH 7.4, 100mM NaCl, 2mM MgSO4
Resolution 1.18 Å R-free 0.257
7OO7 KRasG12C ligand complex Deposited 2021-05-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa）
Mutation：G12C MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 VLE 1-[(6aS)-3-chloro-2-(5-methyl-1H-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8H-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；50mM HEPES 100mM NaCl 2mM MgSO4
Resolution 1.48 Å R-free 0.226
7OO7 KRasG12C ligand complex Deposited 2021-05-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–164（164 aa）
Mutation：G12C MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 VLE 1-[(6aS)-3-chloro-2-(5-methyl-1H-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8H-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；50mM HEPES 100mM NaCl 2mM MgSO4
Resolution 1.48 Å R-free 0.226
7Q9U Crystal structure of the high affinity KRas mutant PDE6D complex Deposited 2021-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–185（185 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) GDP GUANOSINE-5'-DIPHOSPHATE × 1 FAR FARNESYL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2 M Ammonium sulphate, 0.1 M tri sodium citrate pH 5.6, 15 % w/v PEG 4000
Resolution 2.24 Å R-free 0.255
7Q9U Crystal structure of the high affinity KRas mutant PDE6D complex Deposited 2021-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain BBB 1–185（185 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) GDP GUANOSINE-5'-DIPHOSPHATE × 1 FAR FARNESYL × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2 M Ammonium sulphate, 0.1 M tri sodium citrate pH 5.6, 15 % w/v PEG 4000
Resolution 2.24 Å R-free 0.255
7R0M KRasG12C in complex with GDP and JDQ443 Deposited 2022-02-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 2 H2T 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；30% PEG 4000, 0.1 M HEPES pH 7.5, 0.2 M CaCl2
Resolution 1.61 Å R-free 0.249
7R0M KRasG12C in complex with GDP and JDQ443 Deposited 2022-02-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 2 H2T 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；30% PEG 4000, 0.1 M HEPES pH 7.5, 0.2 M CaCl2
Resolution 1.61 Å R-free 0.249
7R0N KRasG12C in complex with GDP and compound 2 Deposited 2022-02-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 H40 ~{N}-[4-[2-bromanyl-6-(2-hydroxyethylamino)pyridin-4-yl]sulfanylphenyl]propanamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；33% PEG 6000, 0.01 M NaCitrate
Resolution 1.20 Å R-free 0.222
7R0Q KRasG12C in complex with GDP and compound 3 Deposited 2022-02-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 2 H0O ~{N}-[4-[3,5-dimethyl-4-(5-methyl-2~{H}-indazol-4-yl)pyrazol-1-yl]phenyl]propanamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；25% PEG 4000, 0.1 M TRIS HCl pH 8.5, 0.2 M CaCl2
Resolution 1.95 Å R-free 0.292
7R0Q KRasG12C in complex with GDP and compound 3 Deposited 2022-02-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 H0O ~{N}-[4-[3,5-dimethyl-4-(5-methyl-2~{H}-indazol-4-yl)pyrazol-1-yl]phenyl]propanamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；25% PEG 4000, 0.1 M TRIS HCl pH 8.5, 0.2 M CaCl2
Resolution 1.95 Å R-free 0.292
7ROV KRAS G12D Mutant in complex with GMPPCP and cyclic peptide MP-9903 Deposited 2021-08-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–188（188 aa）
Mutation：G12D GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；100mM Bis-Tris and 25% PEG 4000
Resolution 1.32 Å R-free 0.216
7ROV KRAS G12D Mutant in complex with GMPPCP and cyclic peptide MP-9903 Deposited 2021-08-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–188（188 aa）
Mutation：G12D GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；100mM Bis-Tris and 25% PEG 4000
Resolution 1.32 Å R-free 0.216
7RP2 Crystal structure of Kas G12C in complex with 2H11 CLAMP Deposited 2021-08-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–169（169 aa）
Mutation：G12C GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 CAC CACODYLATE ION × 3 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；292 K；0.1 M sodium cacodylate pH 6.5, 40% 2-methyl 2,4-pentanediol (MPD), 7% PEG 8000, 0.5% ethyl acetate, 10 mM spermine tetrahydrochloride
Resolution 2.20 Å R-free 0.225
7RP4 Crystal structure of KRAS G12C in complex with GNE-1952 Deposited 2021-08-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–169（168 aa）
Mutation：G12C MKZ 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；292 K；0.10% n-Octyl-B-D-glucoside, 0.1 M sodium citrate pH 5.5, 22% PEG 3350
Resolution 2.15 Å R-free 0.253
7RP4 Crystal structure of KRAS G12C in complex with GNE-1952 Deposited 2021-08-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–169（168 aa）
Mutation：G12C MKZ 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；292 K；0.10% n-Octyl-B-D-glucoside, 0.1 M sodium citrate pH 5.5, 22% PEG 3350
Resolution 2.15 Å R-free 0.253
7RSC NMR-driven structure of the KRAS4B-G12D "alpha-alpha" dimer on a lipid bilayer nanodisc Deposited 2021-08-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 2–185（184 aa）
Chain B 2–185（184 aa）
Mutation：G12D Mutation：G12D GSP 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE × 2 MG MAGNESIUM ION × 2 7Q9 [(2~{R})-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] (~{Z})-octadec-9-enoate × 128 17F O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine × 32 SOLUTION NMR
NMR measurement conditions pH 7.4；288 K；Ionic strength (raw mmCIF value) 100；Pressure 1
NMR sample composition 80 uM ILV 13C-methyl; Lys 15N-amide KRAS4B, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
7RSE NMR-driven structure of the KRAS4B-G12D "alpha-beta" dimer on a lipid bilayer nanodisc Deposited 2021-08-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 2–185（184 aa）
Chain B 2–185（184 aa）
Mutation：G12D Mutation：G12D GSP 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE × 2 MG MAGNESIUM ION × 2 7Q9 [(2~{R})-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] (~{Z})-octadec-9-enoate × 128 17F O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine × 32 SOLUTION NMR
NMR measurement conditions pH 7.4；288 K；Ionic strength (raw mmCIF value) 100；Pressure 1
NMR sample composition 80 uM ILV 13C-methyl; Lys 15N-amide KRAS4B, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
7SCW KRAS full length wild-type in complex with RGL1 Ras association domain Deposited 2021-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–188（188 aa）
Not recorded MG MAGNESIUM ION × 1 GSP 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.05M Magnesium acetate tetrahydrate, 0.1M MES (pH 6.5), 26% v/v PEG 400
Resolution 1.98 Å R-free 0.192
7SCX KRAS full-length G12V in complex with RGL1 Ras association domain Deposited 2021-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–188（188 aa）
Mutation：G12V MG MAGNESIUM ION × 2 GSP 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE × 2 PO4 PHOSPHATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；298 K；0.1M BIS-TRIS (pH 5.5), 25% w/v PEG 3350
Resolution 1.96 Å R-free 0.214
7T47 KRAS G12D (GppCp) with MRTX-1133 Deposited 2021-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa） Fragment：UNP residues 1-164
Mutation：G12D, C51S, C80L, C118S 6IC 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol × 1 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 1 ACT ACETATE ION × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M Bis-Tris, pH 5.5, 0.1 M sodium acetate, 8% v/v isopropanol, 22% PEG4000
Resolution 1.27 Å R-free 0.172
7TLE Crystal Structure of small molecule beta-lactone 1 covalently bound to K-Ras(G12S) Deposited 2022-01-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa）
Mutation：G12S MG MAGNESIUM ION × 1 I6T (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1 M sodium acetate, 30% w/v PEG MME 2K, 0.2 M ammonium sulfate
Resolution 1.99 Å R-free 0.234
7TLG Crystal Structure of small molecule beta-lactone 5 covalently bound to K-Ras(G12S) Deposited 2022-01-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa）
Mutation：G12S GDP GUANOSINE-5'-DIPHOSPHATE × 1 I7H (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES, 30% PEG 4K
Resolution 1.80 Å R-free 0.233
7TLG Crystal Structure of small molecule beta-lactone 5 covalently bound to K-Ras(G12S) Deposited 2022-01-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–164（164 aa）
Mutation：G12S GDP GUANOSINE-5'-DIPHOSPHATE × 1 I7H (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES, 30% PEG 4K
Resolution 1.80 Å R-free 0.233
7TLK Crystal Structure of K-Ras(G12S) Deposited 2022-01-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa）
Mutation：G12S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；0.1 M Tris, 0.2 M CaCl2, 25% PEG 4K
Resolution 1.71 Å R-free 0.205
7TLK Crystal Structure of K-Ras(G12S) Deposited 2022-01-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–164（164 aa）
Mutation：G12S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；0.1 M Tris, 0.2 M CaCl2, 25% PEG 4K
Resolution 1.71 Å R-free 0.205
7U8H Discovery of a KRAS G12V Inhibitor in vivo Tool Compound starting from an HSQC-NMR based Fragment Hit Deposited 2022-03-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12V 2XO 1H-benzimidazol-2-ylmethanethiol × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 LX6 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291.15 K；30% PEG3350, 0.1 M bicine pH 8.5, 0.2 M ammonium sulfate
Resolution 1.70 Å R-free 0.199
7U8H Discovery of a KRAS G12V Inhibitor in vivo Tool Compound starting from an HSQC-NMR based Fragment Hit Deposited 2022-03-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12V 2XO 1H-benzimidazol-2-ylmethanethiol × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 LX6 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291.15 K；30% PEG3350, 0.1 M bicine pH 8.5, 0.2 M ammonium sulfate
Resolution 1.70 Å R-free 0.199
7U8H Discovery of a KRAS G12V Inhibitor in vivo Tool Compound starting from an HSQC-NMR based Fragment Hit Deposited 2022-03-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Mutation：G12V 2XO 1H-benzimidazol-2-ylmethanethiol × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291.15 K；30% PEG3350, 0.1 M bicine pH 8.5, 0.2 M ammonium sulfate
Resolution 1.70 Å R-free 0.199
7U8H Discovery of a KRAS G12V Inhibitor in vivo Tool Compound starting from an HSQC-NMR based Fragment Hit Deposited 2022-03-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–169（169 aa）
Mutation：G12V 2XO 1H-benzimidazol-2-ylmethanethiol × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291.15 K；30% PEG3350, 0.1 M bicine pH 8.5, 0.2 M ammonium sulfate
Resolution 1.70 Å R-free 0.199
7VVB Crystal Structure of KRas4A(GMPPNP-bound) in complex with the Ras-binding domain(RBD) of SIN1 Deposited 2021-11-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–189（189 aa）
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；278 K；PEG 5000 MME
Resolution 1.70 Å R-free 0.197
7YUZ Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784 Deposited 2022-08-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–174（173 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 IOD IODIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Ammonium iodide, 20.0 %w/v Polyethylene glycol 3,350, and 25%v/v Ethylene glycol as a cryoprotectant
Resolution 1.88 Å R-free 0.298
7YV1 Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab Deposited 2022-08-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 2–174（173 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.0 %v/v Tacsimate (pH 5.0), 0.1 M tri-Sodium citrate (pH 5.6), 16.0 %w/v Polyethylene glycol 3,350, and 25 %v/v Ethylene glycerol as a cryoprotectant
Resolution 1.45 Å R-free 0.277
8AFB CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 23 (BI-0474) Deposited 2022-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 LXD (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；10% PEG8000, 10% PEG1000
Resolution 1.12 Å R-free 0.222
8AFC CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 12 Deposited 2022-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 LXK 2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；100mM NaAc pH 5, 1.5M Ammoniumsulfate
Resolution 2.41 Å R-free 0.266
8AFC CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 12 Deposited 2022-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–164（164 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；100mM NaAc pH 5, 1.5M Ammoniumsulfate
Resolution 2.41 Å R-free 0.266
8AFD CRYSTAL STRUCTURE OF BIT-BLOCKED KRAS-G12V-S39C IN COMPLEX WITH COMPOUND 20a Deposited 2022-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 2XO 1H-benzimidazol-2-ylmethanethiol × 1 MG MAGNESIUM ION × 1 LXU (4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；297 K；100mM PCB pH 5.9, 20% PEG 1500
Resolution 1.63 Å R-free 0.265
8AFD CRYSTAL STRUCTURE OF BIT-BLOCKED KRAS-G12V-S39C IN COMPLEX WITH COMPOUND 20a Deposited 2022-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–164（164 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 2XO 1H-benzimidazol-2-ylmethanethiol × 1 MG MAGNESIUM ION × 1 LXU (4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；297 K；100mM PCB pH 5.9, 20% PEG 1500
Resolution 1.63 Å R-free 0.265
8AFD CRYSTAL STRUCTURE OF BIT-BLOCKED KRAS-G12V-S39C IN COMPLEX WITH COMPOUND 20a Deposited 2022-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–164（164 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 2XO 1H-benzimidazol-2-ylmethanethiol × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；297 K；100mM PCB pH 5.9, 20% PEG 1500
Resolution 1.63 Å R-free 0.265
8AFD CRYSTAL STRUCTURE OF BIT-BLOCKED KRAS-G12V-S39C IN COMPLEX WITH COMPOUND 20a Deposited 2022-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–164（164 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 2XO 1H-benzimidazol-2-ylmethanethiol × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；297 K；100mM PCB pH 5.9, 20% PEG 1500
Resolution 1.63 Å R-free 0.265
8AQ5 KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 16 Deposited 2022-08-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 NZ6 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；25% PEG 3350, 0.1 M sodium acetate
Resolution 1.80 Å R-free 0.215
8AQ7 KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 9 Deposited 2022-08-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 2 NZX 1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1~{H}-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；30 % PEG 4000, 0.1 M Tris pH 8.5, 0.2 M MgCl2
Resolution 1.65 Å R-free 0.253
8AQ7 KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 9 Deposited 2022-08-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 NZX 1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1~{H}-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；30 % PEG 4000, 0.1 M Tris pH 8.5, 0.2 M MgCl2
Resolution 1.65 Å R-free 0.253
8AZR KRAS in complex with precursor 1 Deposited 2022-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 1 LR4 (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.2mM Magnesiumchloride, 20% PEG 2000, 100mM sodium acetate pH 4.4
Resolution 1.60 Å R-free 0.232
8AZV KRAS in complex with BI-2865 Deposited 2022-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 2 OFU (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.2mM Magnesium Chloride, 20% PEG 2000, 100mM sodium acetate pH 4.4
Resolution 1.05 Å R-free 0.173
8AZX KRAS-G12C in complex with BI-2865 Deposited 2022-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 2 OFU (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.2mM Magnesium Chloride, 20% PEG 2000, 100mM sodium acetate pH 4.4
Resolution 1.04 Å R-free 0.197
8AZY KRAS-G12D in complex with BI-2865 Deposited 2022-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 4 OFU (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.2mM Magnesium Chloride, 20% PEG 2000, 100mM sodium acetate pH 4.4
Resolution 1.09 Å R-free 0.197
8AZZ KRAS-G12V in complex with BI-2865 Deposited 2022-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 2 OFU (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.2mM Magnesium Chloride, 20% PEG 2000, 100mM sodium acetate pH 4.4
Resolution 1.02 Å R-free 0.167
8B00 KRAS-G13D in complex with BI-2865 Deposited 2022-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 3 OFU (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.2mM Magnesium Chloride, 20% PEG 2000, 100mM sodium acetate pH 4.4
Resolution 1.04 Å R-free 0.161
8B6I KRasG12C ligand complex Deposited 2022-09-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 1 PQI 1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350 LITHIUM SULFATE
Resolution 1.70 Å R-free 0.241
8B6I KRasG12C ligand complex Deposited 2022-09-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 1 PQI 1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350 LITHIUM SULFATE
Resolution 1.70 Å R-free 0.241
8B78 KRasG12C ligand complex Deposited 2022-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa）
Not recorded MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 PUO 1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350 LITHIUM SULFATE
Resolution 1.11 Å R-free 0.236
8BLR G13D mutant of KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation Deposited 2022-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–169（168 aa）
Mutation：G13D GDP GUANOSINE-5'-DIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；2.4M sodium malonate pH 7
Resolution 1.40 Å R-free 0.144
8CPR G13D mutant of KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation crystallized in sodium potassium phosphate buffer Deposited 2023-03-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–169（168 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.4 M Na/K Phosphate pH around 8.8 OR 0.9 M Na/K Phosphate pH 9.1 (sodium potassium phosphate), 0.5 M Na/K Phosphate pH 8.3
Resolution 2.00 Å R-free 0.248
8DNI Crystal structure of human KRAS G12C covalently bound with Araxes WO2020/028706A1 compound I-1 Deposited 2022-07-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C51S,C80L,C118S MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 U4L (4P)-4-(5-methyl-1H-indazol-4-yl)-6-(2-propanoyl-2,6-diazaspiro[3.4]octan-6-yl)-2-(pyrrolidin-1-yl)pyrimidine-5-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.001M MgCl2, 0.1M MES pH6.5, 30% PEG4000
Resolution 1.50 Å R-free 0.254
8ECR KRAS4B 1-185 (C185S) bound to GDP-Mg2+ Deposited 2022-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–185（185 aa）
Not recorded MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293.15 K；20% PEG8000, 200 mM Magnesium chloride, 100 mM Tris-HCl pH 8.5
Resolution 1.42 Å R-free 0.169
8ECR KRAS4B 1-185 (C185S) bound to GDP-Mg2+ Deposited 2022-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–185（185 aa）
Not recorded MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293.15 K；20% PEG8000, 200 mM Magnesium chloride, 100 mM Tris-HCl pH 8.5
Resolution 1.42 Å R-free 0.169
8EDY KRAS4b A146T 1-185 bound to GDP Deposited 2022-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–185（185 aa）
Mutation：A146T GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；22% PEG3350, 200 mM lithium citrate, 10 uM GDP, 1 mM magnesium chloride, 2 mM DTT, 20 mM sodium chloride, 10 mM Tris-HCl, pH 8
Resolution 1.18 Å R-free 0.172
8EER KRAS4B A146V 1-185 bound to GDP Deposited 2022-09-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–185（185 aa）
Mutation：A146V GDP GUANOSINE-5'-DIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；22% PEG3350, 200 mM lithium citrate, 10 mM Tris-HCl pH 8, 20 mM NaCl, 2 mM DTT, 1 mM magnesium chloride, 10 uM GDP, 12.8 mg/mL KRAS4B A146V
Resolution 1.18 Å R-free 0.172
8EIE KRAS4b K117N 1-185 bound to GNP-Mg2+ Deposited 2022-09-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–185（185 aa）
Mutation：K117N GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293.15 K；30% PEG4000, 0.2 M sodium acetate, 0.1 M Tris-HCl pH 8.5, 20 mM sodium chloride, 1 mM magnesium chloride, 2 mM DTT, 2 mM GNP, 15 mg/ml KRAS K117N
Resolution 1.41 Å R-free 0.205
8EPW Crystal Structure of KRAS4b-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) of RAF1/CRAF Deposited 2022-10-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G13D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.15 M potassium bromide, 30% PEG 2000 MME
Resolution 2.00 Å R-free 0.253
8EZG Monobody 12D1 bound to KRAS(G12D) Deposited 2022-10-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–168（168 aa）
Mutation：G12D, C51S, C80L, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；2.8 M sodium acetate trihydrate
Resolution 2.52 Å R-free 0.213
8FMJ Crystal structure of human KRAS in space group R32 Deposited 2022-12-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C118S MG MAGNESIUM ION × 1 GOL GLYCEROL × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Tris 0.1 M pH 7.8 - 8.0 NaAc 0.2 M PEG3350 30-34%
Resolution 1.33 Å R-free 0.167
8FMK Crystal structure of human KRAS with extended switch I loop Deposited 2022-12-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；(NH)4Cl 0.2 M PEG3350 20-24%
Resolution 1.48 Å R-free 0.237
8G42 KRAS G12C complex with GDP imaged on a cryo-EM imaging scaffold Deposited 2023-02-08 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：G12C GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.02 Å
8G47 KRAS G12C complex with GDP and AMG 510 imaged on a cryo-EM imaging scaffold Deposited 2023-02-08 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：G12C MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MOV AMG 510 (bound form) × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.19 Å
8G4F KRAS G12V complex with GDP imaged on a cryo-EM imaging scaffold Deposited 2023-02-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–166（166 aa）
Mutation：G12V GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.91 Å
8G4H KRAS G13C complex with GDP imaged on a cryo-EM imaging scaffold Deposited 2023-02-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：G13C GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.87 Å
8G9P Tricomplex of RMC-4998, KRAS G12C, and CypA Deposited 2023-02-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G12C GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 YV2 (2S)-2-{(5S)-7-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,8S,10R,14S,21M)-22-ethyl-21-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-3-methylbutanamide (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；22% PEG 3350, 100 mM NaCl
Resolution 1.50 Å R-free 0.188
8G9P Tricomplex of RMC-4998, KRAS G12C, and CypA Deposited 2023-02-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：G12C GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 YV2 (2S)-2-{(5S)-7-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,8S,10R,14S,21M)-22-ethyl-21-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-3-methylbutanamide (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；22% PEG 3350, 100 mM NaCl
Resolution 1.50 Å R-free 0.188
8G9Q Tricomplex of Compound-1, KRAS G12C, and CypA Deposited 2023-02-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G12C GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 YV6 methyl (3S)-1-[N-(4-sulfanylbutanoyl)-L-valyl-3-hydroxy-L-phenylalanyl]-1,2-diazinane-3-carboxylate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；22% PEG 3350, 100 mM NaCl, 100 mM Bis-Tris pH 5.5
Resolution 1.40 Å R-free 0.214
8I5E Crystal structure of HLA-A*11:01 in complex with KRAS peptide (VVGAGGVGK) Deposited 2023-01-25 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain P 8–16（9 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；0.1 M Tris. 8.0. 25% v/v PEG 350 MME.
Resolution 2.20 Å R-free 0.235
8JGD GDP-bound KRAS G12C in complex with YK-8S Deposited 2023-05-20 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12C GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 DWI (2~{S})-1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxidanyl-propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；200mM calcium acetate,100mM MES(PH 5.5-6.5),PEG 8000 16%-24%
Resolution 1.60 Å R-free 0.201
8JHL GDP-bound KRAS G12D in complex with YK-8S Deposited 2023-05-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 DNU 1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-oxidanyl-propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；200mM calcium acetate,100mM MES(PH 5.5-6.5),PEG 8000 16%-24%
Resolution 2.10 Å R-free 0.208
8JJS Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP10343 Deposited 2023-05-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–174（173 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.0 M Ammonium sulfate, 25 %(v/v) Ethylene glycol as cryoprotectant
Resolution 1.53 Å R-free 0.242
8K4V Crystal structure of HLA-A*11:01 in complex with KRAS G12R peptide (VVVGARGVGK) Deposited 2023-07-20 Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 7–16（10 aa）
Mutation：G12R No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 3.10 Å R-free 0.347
8K4V Crystal structure of HLA-A*11:01 in complex with KRAS G12R peptide (VVVGARGVGK) Deposited 2023-07-20 Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 7–16（10 aa）
Mutation：G12R No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 3.10 Å R-free 0.347
8K4V Crystal structure of HLA-A*11:01 in complex with KRAS G12R peptide (VVVGARGVGK) Deposited 2023-07-20 Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain I 7–16（10 aa）
Mutation：G12R No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 3.10 Å R-free 0.347
8K4V Crystal structure of HLA-A*11:01 in complex with KRAS G12R peptide (VVVGARGVGK) Deposited 2023-07-20 Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain L 7–16（10 aa）
Mutation：G12R No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 3.10 Å R-free 0.347
8K50 Crystal structure of HLA-A*11:01 in complex with KRAS G12V peptide (VVVGARGVGK) Deposited 2023-07-20 Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 7–16（10 aa）
Mutation：G12V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 2.80 Å R-free 0.281
8K50 Crystal structure of HLA-A*11:01 in complex with KRAS G12V peptide (VVVGARGVGK) Deposited 2023-07-20 Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 7–16（10 aa）
Mutation：G12V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 2.80 Å R-free 0.281
8K50 Crystal structure of HLA-A*11:01 in complex with KRAS G12V peptide (VVVGARGVGK) Deposited 2023-07-20 Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain I 7–16（10 aa）
Mutation：G12V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 2.80 Å R-free 0.281
8K50 Crystal structure of HLA-A*11:01 in complex with KRAS G12V peptide (VVVGARGVGK) Deposited 2023-07-20 Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain L 7–16（10 aa）
Mutation：G12V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；Ammonium sulfate, Sodium cacodylate, PEG 4000
Resolution 2.80 Å R-free 0.281
8ONV KRAS-G13D in complex with BI-2493 Deposited 2023-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 2 VU6 (7~{S})-2'-azanyl-3-[2-[(2~{S})-2-methylpiperazin-1-yl]pyrimidin-4-yl]spiro[5,6-dihydro-4~{H}-1,2-benzoxazole-7,4'-6,7-dihydro-5~{H}-1-benzothiophene]-3'-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；0.2mM MgCl2, 15-27% PEG 2000, 100mM sodium acetate pH=4.4
Resolution 1.01 Å R-free 0.157
8QU8 PROTAC-mediated complex of KRAS with VHL/Elongin-B/Elongin-C/Cullin-2/Rbx1 Deposited 2023-10-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain F 1–164（164 aa）
Not recorded ZN ZINC ION × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 1 WYL (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.50 Å
8QUG KRAS-G12C in Complex with Compound 1 Deposited 2023-10-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 WYU (4S)-2-azanyl-4-methyl-4-[3-[2-[(2S)-2-methyl-1,4-diazepan-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；25% PEG3350, 0.1 M BisTris, 0.27M NH4Ac
Resolution 1.56 Å R-free 0.222
8QVU Crystal Structure of ligand ACBI3 in complex with KRAS G12D C118S GDP and pVHL:ElonginC:ElonginB complex Deposited 2023-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain E 1–188（188 aa）
Not recorded WYL (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；20% w/v PEG 8000, 0.2 M lithium chloride, 0.1 M Tris pH 8.0
Resolution 2.24 Å R-free 0.287
8QVU Crystal Structure of ligand ACBI3 in complex with KRAS G12D C118S GDP and pVHL:ElonginC:ElonginB complex Deposited 2023-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–188（188 aa）
Not recorded PO4 PHOSPHATE ION × 1 WYL (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；20% w/v PEG 8000, 0.2 M lithium chloride, 0.1 M Tris pH 8.0
Resolution 2.24 Å R-free 0.287
8QW6 Crystal Structure of compound 3 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB Deposited 2023-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain E 1–169（169 aa）
Mutation：G12V, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 X4R (2S,4R)-1-[(2S)-2-[6-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]hexanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；200 mM sodium citrate, 100 mM BIS-TRIS propane pH 8.5, 20% w/v polyethylene glycol 3350
Resolution 2.20 Å R-free 0.295
8QW6 Crystal Structure of compound 3 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB Deposited 2023-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–169（169 aa）
Mutation：G12V, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 X4R (2S,4R)-1-[(2S)-2-[6-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]hexanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；200 mM sodium citrate, 100 mM BIS-TRIS propane pH 8.5, 20% w/v polyethylene glycol 3350
Resolution 2.20 Å R-free 0.295
8QW7 Crystal Structure of compound 4 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB Deposited 2023-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–169（169 aa）
Mutation：G12V, C118S X53 (2S,4R)-1-[(2R)-2-[3-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；200 mM Lithium sulfate monohydrate, 100 mM BIS-TRIS propane pH 5.5, 25% w/v polyethylene glycol 3350
Resolution 2.36 Å R-free 0.273
8QW7 Crystal Structure of compound 4 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB Deposited 2023-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain E 1–169（169 aa）
Mutation：G12V, C118S X53 (2S,4R)-1-[(2R)-2-[3-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；200 mM Lithium sulfate monohydrate, 100 mM BIS-TRIS propane pH 5.5, 25% w/v polyethylene glycol 3350
Resolution 2.36 Å R-free 0.273
8R7W Kras G12D in complex with compound 3 Deposited 2023-11-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 YLE 8-(furan-3-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；53.4 % (v/v) 2-methyl-2,4-pentanediol and 0.05 M MES pH 6.4
Resolution 1.16 Å R-free 0.202
8R7W Kras G12D in complex with compound 3 Deposited 2023-11-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 YLE 8-(furan-3-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；53.4 % (v/v) 2-methyl-2,4-pentanediol and 0.05 M MES pH 6.4
Resolution 1.16 Å R-free 0.202
8R7X Kras G12D in complex with compound 4 Deposited 2023-11-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；53.4 % (v/v) 2-methyl-2,4-pentanediol and 0.05 M MES pH 6.4
Resolution 1.31 Å R-free 0.192
8R7X Kras G12D in complex with compound 4 Deposited 2023-11-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 YFJ 8-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；53.4 % (v/v) 2-methyl-2,4-pentanediol and 0.05 M MES pH 6.4
Resolution 1.31 Å R-free 0.192
8RNI HLA-A*03:01 with KRAS-G12V-10mer Deposited 2024-01-10 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 7–16（10 aa）
Not recorded GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1M ammonium citrate tribasic pH7, 12% PEG 3350
Resolution 2.49 Å R-free 0.276
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 7–16（10 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain J 7–16（10 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain O 7–16（10 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain T 7–16（10 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain Y 7–16（10 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain d 7–16（10 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 7 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain i 7–16（10 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8RRO G12V-TCR complex with HLA-A3 Deposited 2024-01-23 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 8 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain n 7–16（10 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1M Bis-Tris Propane (pH 6.5), 0.2M Na2SO4, 14-20% PEG 3350
Resolution 3.50 Å R-free 0.286
8S8C Structure of Kras in complex with inhibitor MK-1084 Deposited 2024-03-06 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12C GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 A1H5U (5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；30% PEG 3350 0.1M pH=9 NaH2PO4/Na2HPO4
Resolution 1.90 Å R-free 0.225
8STM Crystal structure of KRAS-G75A mutant, GDP-bound Deposited 2023-05-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–169（169 aa）
Chain B 1–169（169 aa）
Chain C 1–169（169 aa）
Chain D 1–169（169 aa）
Mutation：G75A Mutation：G75A Mutation：G75A Mutation：G75A GDP GUANOSINE-5'-DIPHOSPHATE × 4 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.2 M Ammonium Sulfate
Resolution 2.00 Å R-free 0.192
8STN Crystal structure of KRAS-G12D/G75A mutant, GDP-bound Deposited 2023-05-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: monomeric
Chain A 1–169（169 aa）
Chain B 1–169（169 aa）
Mutation：G12D, G75A Mutation：G12D, G75A GDP GUANOSINE-5'-DIPHOSPHATE × 2 MG MAGNESIUM ION × 2 NA SODIUM ION × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.2 M Ammonium Sulfate
Resolution 2.03 Å R-free 0.183
8STN Crystal structure of KRAS-G12D/G75A mutant, GDP-bound Deposited 2023-05-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D, G75A GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.2 M Ammonium Sulfate
Resolution 2.03 Å R-free 0.183
8T4V Crystal structure of compound 1 bound to K-Ras(G12D) Deposited 2023-06-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 Y63 4-{(1R,5S)-3-[(7P)-7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}-4-oxobutanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES 6.5, 25% PEG4K
Resolution 1.47 Å R-free 0.211
8T4V Crystal structure of compound 1 bound to K-Ras(G12D) Deposited 2023-06-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 Y63 4-{(1R,5S)-3-[(7P)-7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}-4-oxobutanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES 6.5, 25% PEG4K
Resolution 1.47 Å R-free 0.211
8T71 Crystal Structure of WT KRAS4a with bound GDP and Mg ion Deposited 2023-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–177（177 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M ammonium iodide, 2.2 M ammonium sulfate
Resolution 1.80 Å R-free 0.211
8T71 Crystal Structure of WT KRAS4a with bound GDP and Mg ion Deposited 2023-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–177（177 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M ammonium iodide, 2.2 M ammonium sulfate
Resolution 1.80 Å R-free 0.211
8T72 Crystal structure of WT KRAS4a with bound GMPPNP and Mg ion Deposited 2023-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–177（177 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M NaBr, 20% PEG 3350
Resolution 1.60 Å R-free 0.236
8T72 Crystal structure of WT KRAS4a with bound GMPPNP and Mg ion Deposited 2023-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–177（177 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M NaBr, 20% PEG 3350
Resolution 1.60 Å R-free 0.236
8T72 Crystal structure of WT KRAS4a with bound GMPPNP and Mg ion Deposited 2023-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–177（177 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M NaBr, 20% PEG 3350
Resolution 1.60 Å R-free 0.236
8T73 Crystal structure of KRAS4a-R151G with bound GDP and Mg ion Deposited 2023-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：R151G GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM HEPES pH 7.4, 2 M ammonium sulfate , 0.1 M MgCl2.6H2O
Resolution 1.50 Å R-free 0.188
8T73 Crystal structure of KRAS4a-R151G with bound GDP and Mg ion Deposited 2023-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：R151G GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM HEPES pH 7.4, 2 M ammonium sulfate , 0.1 M MgCl2.6H2O
Resolution 1.50 Å R-free 0.188
8T74 Crystal structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD) Deposited 2023-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–177（177 aa）
Not recorded MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.15 M DL-malic acid (pH 7.0), 20% PEG 3350
Resolution 1.65 Å R-free 0.196
8T75 Crystal Structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD-CRD) Deposited 2023-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–177（177 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M sodium acetate (pH 4.6), 2 M sodium formate
Resolution 2.65 Å R-free 0.219
8T75 Crystal Structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD-CRD) Deposited 2023-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–177（177 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M sodium acetate (pH 4.6), 2 M sodium formate
Resolution 2.65 Å R-free 0.219
8T75 Crystal Structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD-CRD) Deposited 2023-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–177（177 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M sodium acetate (pH 4.6), 2 M sodium formate
Resolution 2.65 Å R-free 0.219
8T75 Crystal Structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD-CRD) Deposited 2023-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 1–177（177 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M sodium acetate (pH 4.6), 2 M sodium formate
Resolution 2.65 Å R-free 0.219
8TBF Tricomplex of RMC-7977, KRAS WT, and CypA Deposited 2023-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ZNI (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；24% PEG4000, 0.1 M Tris-HCl, pH 8.0
Resolution 1.50 Å R-free 0.210
8TBF Tricomplex of RMC-7977, KRAS WT, and CypA Deposited 2023-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 1 ZNI (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；24% PEG4000, 0.1 M Tris-HCl, pH 8.0
Resolution 1.50 Å R-free 0.210
8TBH Tricomplex of RMC-7977, KRAS G12R, and CypA Deposited 2023-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G12R GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ZNI (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；17% PEG4000, 0.1 M imidazole, pH 8.0
Resolution 1.50 Å R-free 0.225
8TBH Tricomplex of RMC-7977, KRAS G12R, and CypA Deposited 2023-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：G12R GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ZNI (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；17% PEG4000, 0.1 M imidazole, pH 8.0
Resolution 1.50 Å R-free 0.225
8TBJ Tricomplex of RMC-7977, KRAS G12A, and CypA Deposited 2023-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G12A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ZNI (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；24% PEG4000, 0.1 M Tris-HCl, pH 8.0
Resolution 1.45 Å R-free 0.215
8TBJ Tricomplex of RMC-7977, KRAS G12A, and CypA Deposited 2023-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：G12A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 1 ZNI (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；24% PEG4000, 0.1 M Tris-HCl, pH 8.0
Resolution 1.45 Å R-free 0.215
8TBK Tricomplex of RMC-7977, KRAS G12C, and CypA Deposited 2023-06-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G12C GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ZNI (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；27% PEG4000, 0.1 M imidazole, pH 7.0
Resolution 1.26 Å R-free 0.184
8TBK Tricomplex of RMC-7977, KRAS G12C, and CypA Deposited 2023-06-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：G12C GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ZNI (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；27% PEG4000, 0.1 M imidazole, pH 7.0
Resolution 1.26 Å R-free 0.184
8TBL Tricomplex of RMC-7977, KRAS G12D, and CypA Deposited 2023-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G12D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ZNI (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；25% PEG4000, 0.1 M Tris-HCl, pH 8.0
Resolution 1.88 Å R-free 0.227
8TBL Tricomplex of RMC-7977, KRAS G12D, and CypA Deposited 2023-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：G12D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ZNI (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；25% PEG4000, 0.1 M Tris-HCl, pH 8.0
Resolution 1.88 Å R-free 0.227
8TBM Tricomplex of RMC-7977, KRAS G12V, and CypA Deposited 2023-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G12V GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ZNI (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；24% PEG6000, 0.1 M imidazole, pH 7
Resolution 1.57 Å R-free 0.211
8TBM Tricomplex of RMC-7977, KRAS G12V, and CypA Deposited 2023-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：G12V GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 1 ZNI (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；24% PEG6000, 0.1 M imidazole, pH 7
Resolution 1.57 Å R-free 0.211
8TBN Tricomplex of RMC-7977, KRAS G12S, and CypA Deposited 2023-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G12S GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ZNI (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；22% PEG6000, 0.1 M imidazole, pH 7
Resolution 1.46 Å R-free 0.197
8TBN Tricomplex of RMC-7977, KRAS G12S, and CypA Deposited 2023-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：G12S GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ZNI (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；22% PEG6000, 0.1 M imidazole, pH 7
Resolution 1.46 Å R-free 0.197
8TXE Crystal structure of KRAS G12D in complex with GDP and compound 5 Deposited 2023-08-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 VM9 (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；286.15 K；0.1 M Sodium Acetate pH 4.5, 40% PEG 400
Resolution 1.35 Å R-free 0.215
8TXE Crystal structure of KRAS G12D in complex with GDP and compound 5 Deposited 2023-08-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 VM9 (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；286.15 K；0.1 M Sodium Acetate pH 4.5, 40% PEG 400
Resolution 1.35 Å R-free 0.215
8TXG Crystal structure of KRAS G12D in complex with GDP and compound 8 Deposited 2023-08-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：residues 1-169
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 VQT (4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；286.15 K；2.0 M Ammonium Sulfate, 15% ethylene glycol, 0.1 M Tris pH 8.5
Resolution 1.50 Å R-free 0.223
8TXH Crystal structure of KRAS G12D in complex with GDP and compound 14 Deposited 2023-08-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：residues 1-169
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 VR5 (4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；286.15 K；0.1 M Sodium Acetate pH 4.5, 40% PEG 400
Resolution 1.20 Å R-free 0.203
8TXH Crystal structure of KRAS G12D in complex with GDP and compound 14 Deposited 2023-08-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa） Fragment：residues 1-169
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 VR5 (4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；286.15 K；0.1 M Sodium Acetate pH 4.5, 40% PEG 400
Resolution 1.20 Å R-free 0.203
8UDR Structure of the P1B7 antibody bound to the Sotorasib-modified KRas G12C peptide presented by the A*03:01 MHC I complex Deposited 2023-09-28 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain C 7–16（10 aa）
Not recorded MOV AMG 510 (bound form) × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；20mM HEPES ph 7.5, 100 mM KCl
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.10 Å
8UN3 KRAS-G13D-GDP in complex with Cpd5 (1-((S)-10-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-11-chloro-7-(((2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl)methoxy)-3,4,13,13a-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-2(1H)-yl)prop-2-en-1-one) Deposited 2023-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–168（167 aa） Fragment：GTPase, residues 2-168
Mutation：G13D XOI 1-[(5M,8aS,13R)-5-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-2-{[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy}-8a,9,11,12-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-10(8H)-yl]prop-2-en-1-one × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 CL CHLORIDE ION × 3 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8；277 K；0.2M Sodium Chloride, 0.1M Imidazole pH8.0, 0.4M Sodium di-hydrogen Phosphate, 1.6M Di-potassium Hydrogen Phosphate
Resolution 2.07 Å R-free 0.191
8UN3 KRAS-G13D-GDP in complex with Cpd5 (1-((S)-10-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-11-chloro-7-(((2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl)methoxy)-3,4,13,13a-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-2(1H)-yl)prop-2-en-1-one) Deposited 2023-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–168（167 aa） Fragment：GTPase, residues 2-168
Mutation：G13D XOI 1-[(5M,8aS,13R)-5-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-2-{[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy}-8a,9,11,12-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-10(8H)-yl]prop-2-en-1-one × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8；277 K；0.2M Sodium Chloride, 0.1M Imidazole pH8.0, 0.4M Sodium di-hydrogen Phosphate, 1.6M Di-potassium Hydrogen Phosphate
Resolution 2.07 Å R-free 0.191
8UN3 KRAS-G13D-GDP in complex with Cpd5 (1-((S)-10-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-11-chloro-7-(((2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl)methoxy)-3,4,13,13a-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-2(1H)-yl)prop-2-en-1-one) Deposited 2023-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 2–168（167 aa） Fragment：GTPase, residues 2-168
Mutation：G13D XOI 1-[(5M,8aS,13R)-5-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-2-{[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy}-8a,9,11,12-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-10(8H)-yl]prop-2-en-1-one × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8；277 K；0.2M Sodium Chloride, 0.1M Imidazole pH8.0, 0.4M Sodium di-hydrogen Phosphate, 1.6M Di-potassium Hydrogen Phosphate
Resolution 2.07 Å R-free 0.191
8UN3 KRAS-G13D-GDP in complex with Cpd5 (1-((S)-10-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-11-chloro-7-(((2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl)methoxy)-3,4,13,13a-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-2(1H)-yl)prop-2-en-1-one) Deposited 2023-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 2–168（167 aa） Fragment：GTPase, residues 2-168
Mutation：G13D XOI 1-[(5M,8aS,13R)-5-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-2-{[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy}-8a,9,11,12-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-10(8H)-yl]prop-2-en-1-one × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8；277 K；0.2M Sodium Chloride, 0.1M Imidazole pH8.0, 0.4M Sodium di-hydrogen Phosphate, 1.6M Di-potassium Hydrogen Phosphate
Resolution 2.07 Å R-free 0.191
8UN4 KRAS-G13D-GDP in complex with Cpd36 ((E)-1-((3S)-4-(7-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-2-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)-3-(4-((dimethylamino)methyl)-5-methylpyridin-2-yl)prop-2-en-1-one) Deposited 2023-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–169（168 aa） Fragment：residues 2-169
Mutation：G13D MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 XV3 (2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-{4-[(dimethylamino)methyl]-5-methylpyridin-2-yl}prop-2-en-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；291 K；0.1M MMT pH 5.0, 25 % w/v Polyethylene glycol 1,500
Resolution 1.57 Å R-free 0.215
8UN5 KRAS-G13D-GDP in complex with Cpd38 ((E)-1-((3S)-4-(7-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-2-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one) Deposited 2023-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–168（167 aa） Fragment：GTPase, residues 2-168
Not recorded GOL GLYCEROL × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 XQ6 (2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 4.5；277 K；0.1 M Sodium acetate pH 4.5, 30% w/v PEG 5,000MME
Resolution 1.31 Å R-free 0.212
8UN5 KRAS-G13D-GDP in complex with Cpd38 ((E)-1-((3S)-4-(7-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-2-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one) Deposited 2023-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–168（167 aa） Fragment：GTPase, residues 2-168
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 XQ6 (2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 4.5；277 K；0.1 M Sodium acetate pH 4.5, 30% w/v PEG 5,000MME
Resolution 1.31 Å R-free 0.212
8V39 Crystal structure of active KRAS-G12C (GMPPNP-bound) in complex with BBO-8520 Deposited 2023-11-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12C C118S GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 Y8N BBO-8520 (bound form) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；56.36 mM NaH2PO4, 1343 mM K2HPO4
Resolution 2.10 Å R-free 0.312
8V39 Crystal structure of active KRAS-G12C (GMPPNP-bound) in complex with BBO-8520 Deposited 2023-11-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12C C118S GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 Y8N BBO-8520 (bound form) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；56.36 mM NaH2PO4, 1343 mM K2HPO4
Resolution 2.10 Å R-free 0.312
8V39 Crystal structure of active KRAS-G12C (GMPPNP-bound) in complex with BBO-8520 Deposited 2023-11-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Mutation：G12C C118S GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 Y8N BBO-8520 (bound form) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；56.36 mM NaH2PO4, 1343 mM K2HPO4
Resolution 2.10 Å R-free 0.312
8V3A Crystal structure of KRAS-G12C (GDP-bound) in complex with BBO-8520 Deposited 2023-11-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12C C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 Y8N BBO-8520 (bound form) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Na3 citrate pH 5.5, 20% PEG 4000, 10% isopropanol
Resolution 1.67 Å R-free 0.186
8V3A Crystal structure of KRAS-G12C (GDP-bound) in complex with BBO-8520 Deposited 2023-11-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12C C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 Y8N BBO-8520 (bound form) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Na3 citrate pH 5.5, 20% PEG 4000, 10% isopropanol
Resolution 1.67 Å R-free 0.186
8VGQ CryoEM structure of GNE-1952-alkylated KRAS G12C in complex with engineered conformationally rigid Fab 2H11.4DS Deposited 2023-12-27 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–169（169 aa）
Mutation：G12C, C51S, C80L, C118S A1AAW 1-{4-[(7M)-6-methyl-7-(5-methyl-2H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.80 Å
8VJZ HLA-A*03:01 with WT KRAS-10mer Deposited 2024-01-08 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 7–16（10 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.1M ammonium citrate tribasic pH7, 12% PEG 3350
Resolution 1.90 Å R-free 0.214
8VR9 Structure of a synthetic antibody in complex with a class I MHC presenting a hapten-peptide conjugate Deposited 2024-01-20 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain C 8–16（9 aa） Fragment：residues 8-16
Mutation：G12C MOV AMG 510 (bound form) × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.06 Å
8VRA Structure of a synthetic antibody in complex with a class I MHC presenting a hapten-peptide conjugate Deposited 2024-01-20 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain C 7–16（10 aa）
Mutation：G12C MOV AMG 510 (bound form) × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.12 Å
8VRB Structure of a synthetic antibody in complex with a class I MHC presenting a hapten-peptide conjugate Deposited 2024-01-20 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain C 7–16（10 aa） Fragment：residues 7-16
Mutation：G12C MOV AMG 510 (bound form) × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.25 Å
9AX6 Tricomplex of RMC-6236, KRAS G12D, and CypA Deposited 2024-03-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G12D, C51S, C80L, C118S GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AHB (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Tris, pH 8.0, 25% PEG4000
Resolution 1.65 Å R-free 0.227
9AX6 Tricomplex of RMC-6236, KRAS G12D, and CypA Deposited 2024-03-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：G12D, C51S, C80L, C118S GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AHB (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Tris, pH 8.0, 25% PEG4000
Resolution 1.65 Å R-free 0.227
9BAI Crystal structure of GDP-bound human K-RAS in a covalent complex with aryl sulfonyl fluoride compounds. Deposited 2024-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C118S MG MAGNESIUM ION × 1 WMU 3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-~{N}-pyridin-4-yl-benzenesulfonamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Ammonium chloride 0.2 M and PEG 3350 20%.
Resolution 1.49 Å R-free 0.225
9BAI Crystal structure of GDP-bound human K-RAS in a covalent complex with aryl sulfonyl fluoride compounds. Deposited 2024-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：C118S Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 1 WMU 3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-~{N}-pyridin-4-yl-benzenesulfonamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Ammonium chloride 0.2 M and PEG 3350 20%.
Resolution 1.49 Å R-free 0.225
9BAI Crystal structure of GDP-bound human K-RAS in a covalent complex with aryl sulfonyl fluoride compounds. Deposited 2024-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Mutation：C118S MG MAGNESIUM ION × 1 WMU 3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-~{N}-pyridin-4-yl-benzenesulfonamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Ammonium chloride 0.2 M and PEG 3350 20%.
Resolution 1.49 Å R-free 0.225
9BAI Crystal structure of GDP-bound human K-RAS in a covalent complex with aryl sulfonyl fluoride compounds. Deposited 2024-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–169（169 aa）
Mutation：C118S Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 1 WMU 3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-~{N}-pyridin-4-yl-benzenesulfonamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Ammonium chloride 0.2 M and PEG 3350 20%.
Resolution 1.49 Å R-free 0.225
9BAJ Crystal structure of GDP-bound human K-RAS in a covalent complex with aryl sulfonyl fluoride compounds. Deposited 2024-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C118S MG MAGNESIUM ION × 1 A1AK8 3-(dioxo-lambda~6~-sulfanyl)-N-phenylbenzene-1-sulfonamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Ammonium chloride 0.2 M and PEG 3350 20%
Resolution 1.49 Å R-free 0.270
9BAJ Crystal structure of GDP-bound human K-RAS in a covalent complex with aryl sulfonyl fluoride compounds. Deposited 2024-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：C118S Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 1 A1AK8 3-(dioxo-lambda~6~-sulfanyl)-N-phenylbenzene-1-sulfonamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Ammonium chloride 0.2 M and PEG 3350 20%
Resolution 1.49 Å R-free 0.270
9BAJ Crystal structure of GDP-bound human K-RAS in a covalent complex with aryl sulfonyl fluoride compounds. Deposited 2024-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Mutation：C118S Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 1 A1AK8 3-(dioxo-lambda~6~-sulfanyl)-N-phenylbenzene-1-sulfonamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Ammonium chloride 0.2 M and PEG 3350 20%
Resolution 1.49 Å R-free 0.270
9BAJ Crystal structure of GDP-bound human K-RAS in a covalent complex with aryl sulfonyl fluoride compounds. Deposited 2024-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–169（169 aa）
Mutation：C118S MG MAGNESIUM ION × 1 A1AK8 3-(dioxo-lambda~6~-sulfanyl)-N-phenylbenzene-1-sulfonamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Ammonium chloride 0.2 M and PEG 3350 20%
Resolution 1.49 Å R-free 0.270
9BAK Crystal structure of GDP-bound human K-RAS in a covalent complex with aryl sulfonyl fluoride compounds. Deposited 2024-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 WN3 3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-~{N}-pyridazin-3-yl-benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Ammonium chloride 0.2 M and PEG 3350 20%
Resolution 1.67 Å R-free 0.289
9BAK Crystal structure of GDP-bound human K-RAS in a covalent complex with aryl sulfonyl fluoride compounds. Deposited 2024-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 WN3 3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-~{N}-pyridazin-3-yl-benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Ammonium chloride 0.2 M and PEG 3350 20%
Resolution 1.67 Å R-free 0.289
9BAK Crystal structure of GDP-bound human K-RAS in a covalent complex with aryl sulfonyl fluoride compounds. Deposited 2024-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 WN3 3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-~{N}-pyridazin-3-yl-benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Ammonium chloride 0.2 M and PEG 3350 20%
Resolution 1.67 Å R-free 0.289
9BAK Crystal structure of GDP-bound human K-RAS in a covalent complex with aryl sulfonyl fluoride compounds. Deposited 2024-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 WN3 3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-~{N}-pyridazin-3-yl-benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Ammonium chloride 0.2 M and PEG 3350 20%
Resolution 1.67 Å R-free 0.289
9BFV Tri-complex of Compound-23, KRAS G12C, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 A1AOV (3R)-1-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-N-[(2S)-1-{[(1P,8R,10R,14S,21M)-22-ethyl-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methylpyrrolidine-3-carboxamide (non-preferred name) × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；25% PEG 3350, 0.1M Bis Tris, pH 5.5, 150 mM NaCl
Resolution 1.20 Å R-free 0.189
9BFV Tri-complex of Compound-23, KRAS G12C, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 A1AOV (3R)-1-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-N-[(2S)-1-{[(1P,8R,10R,14S,21M)-22-ethyl-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methylpyrrolidine-3-carboxamide (non-preferred name) × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；25% PEG 3350, 0.1M Bis Tris, pH 5.5, 150 mM NaCl
Resolution 1.20 Å R-free 0.189
9BFW Tri-complex of Compound-4, KRAS G12C, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 A1AOM 1-acetyl-N-[(2S)-1-{[(1M,8S,10R,14S,20S)-22-cyano-4-hydroxy-18,18-dimethyl-9,15-dioxo-16-oxa-10,20,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,21,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methylazetidine-3-carboxamide (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；25% PEG 3350, 0.1M Bis Tris, pH 5.5
Resolution 1.20 Å R-free 0.147
9BFX Tri-complex of Elironrasib (RMC-6291), KRAS G12C, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AOD 1-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-N-[(2R)-1-{[(2S,6S,8S,10R,14S,21M)-22-ethyl-21-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-5,16-dioxa-2,10,22,28-tetraazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),20,23,26-tetraen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-4-fluoro-N-methylpiperidine-4-carboxamide (non-preferred name) × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；25% PEG3350, 0.1 M Bis-Tris, pH 5.5, 150 mM sodium chloride
Resolution 1.40 Å R-free 0.209
9BFX Tri-complex of Elironrasib (RMC-6291), KRAS G12C, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AOD 1-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-N-[(2R)-1-{[(2S,6S,8S,10R,14S,21M)-22-ethyl-21-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-5,16-dioxa-2,10,22,28-tetraazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),20,23,26-tetraen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-4-fluoro-N-methylpiperidine-4-carboxamide (non-preferred name) × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；25% PEG3350, 0.1 M Bis-Tris, pH 5.5, 150 mM sodium chloride
Resolution 1.40 Å R-free 0.209
9BFY Tri-complex of Compound-14, KRAS G12C, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 A1AOL (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name) × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；25% PEG 3350, 0.1M Bis Tris, pH 5.5, 150 mM NaCl
Resolution 1.26 Å R-free 0.189
9BFY Tri-complex of Compound-14, KRAS G12C, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 A1AOL (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name) × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；25% PEG 3350, 0.1M Bis Tris, pH 5.5, 150 mM NaCl
Resolution 1.26 Å R-free 0.189
9BFZ Tri-complex of Compound-5, KRAS G12C, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AOK (3R)-N-[(2S)-1-{[(1M,8R,10S,14S,21M)-22-ethyl-4-hydroxy-21-[2-(2-methoxyethyl)phenyl]-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；25% PEG 3350, 0.1M Bis-Tris, pH 5.5, 150 mM NaCl
Resolution 1.80 Å R-free 0.222
9BFZ Tri-complex of Compound-5, KRAS G12C, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AOK (3R)-N-[(2S)-1-{[(1M,8R,10S,14S,21M)-22-ethyl-4-hydroxy-21-[2-(2-methoxyethyl)phenyl]-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；25% PEG 3350, 0.1M Bis-Tris, pH 5.5, 150 mM NaCl
Resolution 1.80 Å R-free 0.222
9BG1 Tri-complex of Compound-3, KRAS G12V, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AOH (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；28% PEG 3350, 0.1M Bis Tris, pH 5.5, 150 mM NaCl
Resolution 1.51 Å R-free 0.226
9BG1 Tri-complex of Compound-3, KRAS G12V, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AOH (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；28% PEG 3350, 0.1M Bis Tris, pH 5.5, 150 mM NaCl
Resolution 1.51 Å R-free 0.226
9BG2 Tri-complex of Compound-10, KRAS G12V, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AOJ (1S,2R)-N-[(1P,7S,9S,13S,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；28% PEG 3350, 0.1M Bis Tris, pH 5.5, 150 mM NaCl
Resolution 1.64 Å R-free 0.228
9BG2 Tri-complex of Compound-10, KRAS G12V, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AOJ (1S,2R)-N-[(1P,7S,9S,13S,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；28% PEG 3350, 0.1M Bis Tris, pH 5.5, 150 mM NaCl
Resolution 1.64 Å R-free 0.228
9BG4 Tri-complex of Compound-2, KRAS G12V, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: dimeric
Chain A 1–169（169 aa）
Chain B 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 A1AOG (2R)-N-[(1P,8S,10S,14S,21M)-22-ethyl-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name) × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；28% PEG 3350, 0.1M Bis Tris, pH 5.5, 150 nM NaCl
Resolution 1.14 Å R-free 0.177
9BG4 Tri-complex of Compound-2, KRAS G12V, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: dimeric
Chain A 1–169（169 aa）
Chain B 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 A1AOG (2R)-N-[(1P,8S,10S,14S,21M)-22-ethyl-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name) × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；28% PEG 3350, 0.1M Bis Tris, pH 5.5, 150 nM NaCl
Resolution 1.14 Å R-free 0.177
9BG5 Tri-complex of Daraxonrasib (RMC-6236), KRAS G13D, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–164（164 aa）
Mutation：G13D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AHB (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；24% PEG4000, 0.1 M imidazole, pH 7
Resolution 1.67 Å R-free 0.266
9BG5 Tri-complex of Daraxonrasib (RMC-6236), KRAS G13D, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–164（164 aa）
Mutation：G13D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AHB (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；24% PEG4000, 0.1 M imidazole, pH 7
Resolution 1.67 Å R-free 0.266
9BG6 Tri-complex of Daraxonrasib (RMC-6236), KRAS G12V, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G12V GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AHB (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；25% PEG6000, 0.1 M imidazole, pH 7
Resolution 1.66 Å R-free 0.240
9BG6 Tri-complex of Daraxonrasib (RMC-6236), KRAS G12V, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：G12V GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AHB (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；25% PEG6000, 0.1 M imidazole, pH 7
Resolution 1.66 Å R-free 0.240
9BG7 Tri-complex of Compound-6, KRAS G12V, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G12V GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AOI N-[(2R)-1-{[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]amino}-3-methyl-1-oxobutan-2-yl]-3-methoxy-N-methylazetidine-1-carboxamide (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；28% PEG 3350, 0.1M Bis Tris, pH 5.5, 150 mM NaCl
Resolution 1.60 Å R-free 0.203
9BG7 Tri-complex of Compound-6, KRAS G12V, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：G12V GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AOI N-[(2R)-1-{[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]amino}-3-methyl-1-oxobutan-2-yl]-3-methoxy-N-methylazetidine-1-carboxamide (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；28% PEG 3350, 0.1M Bis Tris, pH 5.5, 150 mM NaCl
Resolution 1.60 Å R-free 0.203
9BG9 Tri-complex of Daraxonrasib (RMC-6236), KRAS WT, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–164（164 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AHB (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；25% PEG6000, 0.1 M imidazole, pH 7
Resolution 1.58 Å R-free 0.231
9BG9 Tri-complex of Daraxonrasib (RMC-6236), KRAS WT, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–164（164 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AHB (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；25% PEG6000, 0.1 M imidazole, pH 7
Resolution 1.58 Å R-free 0.231
9BGA Tri-complex of Daraxonrasib (RMC-6236), KRAS G12C, and CypA Deposited 2024-04-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G12C GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AHB (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；28% PEG4000, 0.1 M Tris, pH 8
Resolution 1.41 Å R-free 0.229
9BGA Tri-complex of Daraxonrasib (RMC-6236), KRAS G12C, and CypA Deposited 2024-04-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：G12C GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AHB (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；28% PEG4000, 0.1 M Tris, pH 8
Resolution 1.41 Å R-free 0.229
9BGB Tri-complex of Daraxonrasib (RMC-6236), KRAS Q61H, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–164（164 aa）
Mutation：Q61H GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AHB (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；29% PEG4000, 0.1 M Tris, pH 8
Resolution 1.68 Å R-free 0.230
9BGB Tri-complex of Daraxonrasib (RMC-6236), KRAS Q61H, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–164（164 aa）
Mutation：Q61H GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AHB (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；29% PEG4000, 0.1 M Tris, pH 8
Resolution 1.68 Å R-free 0.230
9BGC Tri-complex of Daraxonrasib (RMC-6236), KRAS G12R, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G12R GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AHB (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；22% PEG2000 MME, 0.10 M Tris, pH 8
Resolution 1.87 Å R-free 0.272
9BGC Tri-complex of Daraxonrasib (RMC-6236), KRAS G12R, and CypA Deposited 2024-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：G12R GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AHB (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；22% PEG2000 MME, 0.10 M Tris, pH 8
Resolution 1.87 Å R-free 0.272
9BHO Crystal structure of KRAS G12S in a transition state mimetic complex with CYPA and RMC-7977 Deposited 2024-04-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–169（169 aa）
Chain C 1–169（169 aa）
Mutation：G12S Mutation：G12S ZNI (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide × 2 AF3 ALUMINUM FLUORIDE × 2 MG MAGNESIUM ION × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；100 mM Tris pH 8.5, 15% PEG 20000
Resolution 1.89 Å R-free 0.218
9BHP Crystal structure of KRAS G12C in a transition state mimetic complex with CYPA and RMC-7977 Deposited 2024-04-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–169（169 aa）
Chain C 1–169（169 aa）
Mutation：G12C Mutation：G12C ZNI (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide × 2 AF3 ALUMINUM FLUORIDE × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；100 mM Tris-HCl pH 8.5, 20% PEG 10000
Resolution 2.10 Å R-free 0.253
9BHQ Crystal structure of KRAS G12A in a transition state mimetic complex with CYPA and RMC-7977 Deposited 2024-04-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–169（169 aa）
Chain C 1–169（169 aa）
Mutation：G12A Mutation：G12A ZNI (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 2 AF3 ALUMINUM FLUORIDE × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；100 mM Tris pH 8.5, 15% PEG 10000
Resolution 1.90 Å R-free 0.232
9BI1 Crystal structure of GMPPNP bound KRAS G12D in complex with CYPA and RMC-7977 Deposited 2024-04-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–169（169 aa）
Chain C 1–169（169 aa）
Mutation：G12D Mutation：G12D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 2 MG MAGNESIUM ION × 2 ZNI (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；100 mM Tris-HCl pH 8.5, 24% PEG 10000
Resolution 1.65 Å R-free 0.260
9BI2 Crystal structure of GMPPNP bound KRAS G12C in complex with CYPA and RMC-7977 Deposited 2024-04-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–169（169 aa）
Chain C 1–169（169 aa）
Mutation：G12C Mutation：G12C GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 2 MG MAGNESIUM ION × 2 ZNI (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；100 mM Tris-HCl pH 8.5, 24% PEG 10000
Resolution 2.15 Å R-free 0.236
9BL0 KRAS G12D Mutant KRAS 1-169 at 298 K bound to MRTX-1133 Deposited 2024-04-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D, C51S, C80L, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 6IC 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；24% PEG 8000,100 mM Sodium Citrate, 100 mM Ammonium Acetate pH 5.0
Resolution 1.66 Å R-free 0.195
9BL0 KRAS G12D Mutant KRAS 1-169 at 298 K bound to MRTX-1133 Deposited 2024-04-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D, C51S, C80L, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 6IC 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；24% PEG 8000,100 mM Sodium Citrate, 100 mM Ammonium Acetate pH 5.0
Resolution 1.66 Å R-free 0.195
9C15 Crystal structure of the KRAS-p110alpha complex with molecular glue D927 Deposited 2024-05-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Not recorded A1ATF 2-[3-fluoro-4-({(7P)-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl}amino)phenyl]acetamide × 1 MG MAGNESIUM ION × 2 IPA ISOPROPYL ALCOHOL × 2 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1 M Tris, 0.1 M NaCl, 15% PEG 20K
Resolution 2.81 Å R-free 0.234
9C3K Crystal structure of GDP-bound KRAS G12D/M67R: Suppressing G12D oncogenicity via second-site M67R mutation Deposited 2024-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D, M67R GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M NH4 Acetate; 2.2 M (NH4)2SO4
Resolution 1.70 Å R-free 0.209
9C3K Crystal structure of GDP-bound KRAS G12D/M67R: Suppressing G12D oncogenicity via second-site M67R mutation Deposited 2024-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D, M67R GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M NH4 Acetate; 2.2 M (NH4)2SO4
Resolution 1.70 Å R-free 0.209
9C3M Crystal structure of GDP-bound KRAS G12D/F28K: Suppressing G12D oncogenicity via second-site F28K mutation Deposited 2024-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D, F28K GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；3.2 M (NH4)2SO4; 0.1 M Na3Cit pH 5
Resolution 1.74 Å R-free 0.222
9C3M Crystal structure of GDP-bound KRAS G12D/F28K: Suppressing G12D oncogenicity via second-site F28K mutation Deposited 2024-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D, F28K GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；3.2 M (NH4)2SO4; 0.1 M Na3Cit pH 5
Resolution 1.74 Å R-free 0.222
9C3N Crystal structure of GDP-bound KRAS G12D/P34R: Suppressing G12D oncogenicity via second-site P34R mutation Deposited 2024-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D, P34R MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Sodium Malonate, 2.2 M (NH4)2SO4
Resolution 1.50 Å R-free 0.217
9C3N Crystal structure of GDP-bound KRAS G12D/P34R: Suppressing G12D oncogenicity via second-site P34R mutation Deposited 2024-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D, P34R MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Sodium Malonate, 2.2 M (NH4)2SO4
Resolution 1.50 Å R-free 0.217
9C3Q Crystal structure of GDP-bound KRAS G12D/R41Q: Suppressing G12D oncogenicity via second-site R41Q mutation Deposited 2024-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D, R41Q GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；30% PEG MME 2K; 0.1 M KSCN
Resolution 1.22 Å R-free 0.190
9C3R Crystal structure of GDP-bound KRAS G12D/V45E: Suppressing G12D oncogenicity via second-site V45E mutation Deposited 2024-06-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D, V45E GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Potassium Iodide, 2.2 M Ammonium Sulfate
Resolution 2.20 Å R-free 0.209
9C3R Crystal structure of GDP-bound KRAS G12D/V45E: Suppressing G12D oncogenicity via second-site V45E mutation Deposited 2024-06-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D, V45E GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Potassium Iodide, 2.2 M Ammonium Sulfate
Resolution 2.20 Å R-free 0.209
9C3V Crystal structure of GDP-bound KRAS G12D/D54R: Suppressing G12D oncogenicity via second-site D54R mutation Deposited 2024-06-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D, D54R GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Di-sodium Phosphate, 2.2 M Ammonium Sulfate
Resolution 2.51 Å R-free 0.268
9C3V Crystal structure of GDP-bound KRAS G12D/D54R: Suppressing G12D oncogenicity via second-site D54R mutation Deposited 2024-06-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D, D54R GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Di-sodium Phosphate, 2.2 M Ammonium Sulfate
Resolution 2.51 Å R-free 0.268
9C3Z Crystal structure of GDP-bound KRAS G12D/G60R: Suppressing G12D oncogenicity via second-site G60R mutation Deposited 2024-06-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D, G60R MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Lithium acetate, 2.2 M Ammonium sulfate
Resolution 1.80 Å R-free 0.174
9C3Z Crystal structure of GDP-bound KRAS G12D/G60R: Suppressing G12D oncogenicity via second-site G60R mutation Deposited 2024-06-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D, G60R MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Lithium acetate, 2.2 M Ammonium sulfate
Resolution 1.80 Å R-free 0.174
9C40 Crystal structure of GDP-bound KRAS G12D/V103Y: Suppressing G12D oncogenicity via second-site V103Y mutation Deposited 2024-06-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D, V103Y MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Potassium Nitrate, 2.2 M Ammonium Sulfate
Resolution 1.80 Å R-free 0.208
9C40 Crystal structure of GDP-bound KRAS G12D/V103Y: Suppressing G12D oncogenicity via second-site V103Y mutation Deposited 2024-06-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D, V103Y MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Potassium Nitrate, 2.2 M Ammonium Sulfate
Resolution 1.80 Å R-free 0.208
9C41 Crystal structure of GDP-bound KRAS G12D/E62Q: Suppressing G12D oncogenicity via second-site E62Q mutation Deposited 2024-06-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D, E62Q MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Sodium Formate, 2.2 M Ammonium Sulfate
Resolution 1.94 Å R-free 0.161
9C41 Crystal structure of GDP-bound KRAS G12D/E62Q: Suppressing G12D oncogenicity via second-site E62Q mutation Deposited 2024-06-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D, E62Q MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Sodium Formate, 2.2 M Ammonium Sulfate
Resolution 1.94 Å R-free 0.161
9C43 Crystal structure of GDP-bound KRAS E3K/G12D: Suppressing G12D oncogenicity via second-site E3K mutation Deposited 2024-06-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D, E3K MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.2 M (NH4)2SO4; 0.2 NH4NO3
Resolution 1.87 Å R-free 0.160
9C43 Crystal structure of GDP-bound KRAS E3K/G12D: Suppressing G12D oncogenicity via second-site E3K mutation Deposited 2024-06-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D, E3K GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.2 M (NH4)2SO4; 0.2 NH4NO3
Resolution 1.87 Å R-free 0.160
9CMV Crystal structure of the KRAS-p110alpha complex in the presence of molecular glue D223 Deposited 2024-07-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Not recorded A1AZD tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate × 1 GOL GLYCEROL × 2 MG MAGNESIUM ION × 2 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1 M Tris, 0.1 M NaCl, 10 % PEG 20K
Resolution 3.01 Å R-free 0.268
9CT7 Tricomplex of Compound 1, KRAS G12D, and CypA Deposited 2024-07-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G12D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 A1AZV (2R)-2-cyclopentyl-N-[(1M,8S,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-2-(N-methylacetamido)acetamide (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；18-23% PEG3350 + 0.11-0.2M NaCl + 0.10M Bis Tris pH 5.5
Resolution 1.42 Å R-free 0.204
9CT7 Tricomplex of Compound 1, KRAS G12D, and CypA Deposited 2024-07-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：G12D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 A1AZV (2R)-2-cyclopentyl-N-[(1M,8S,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-2-(N-methylacetamido)acetamide (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；18-23% PEG3350 + 0.11-0.2M NaCl + 0.10M Bis Tris pH 5.5
Resolution 1.42 Å R-free 0.204
9CT8 Tricomplex of Compound 2, KRAS G12D, and CypA Deposited 2024-07-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G12D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AZX (2R)-2-amino-N-(2-{[(1R)-1-cyclopentyl-2-{[(1M,8S,10S,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-2-oxoethyl](methyl)amino}-2-oxoethyl)-N-methylpropanamide (non-preferred name) × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；22-27% PEG3350 + 0.11-0.20M NaCl + 0.10M MES pH 5.5
Resolution 1.28 Å R-free 0.190
9CT8 Tricomplex of Compound 2, KRAS G12D, and CypA Deposited 2024-07-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：G12D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AZX (2R)-2-amino-N-(2-{[(1R)-1-cyclopentyl-2-{[(1M,8S,10S,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-2-oxoethyl](methyl)amino}-2-oxoethyl)-N-methylpropanamide (non-preferred name) × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；22-27% PEG3350 + 0.11-0.20M NaCl + 0.10M MES pH 5.5
Resolution 1.28 Å R-free 0.190
9CT9 Tricomplex of Compound 3, KRAS G12D, and CypA Deposited 2024-07-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G12D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 A1AZY (2R)-2-{(5S)-7-[(2R)-2-aminopropanoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-2-cyclopentyl-N-[(1M,8S,10S,14R,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]acetamide (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；20% PEG 3350 + 0.20M Sodium chloride + 0.10M MES pH 5.5 + 1.25% Glycerol
Resolution 1.35 Å R-free 0.185
9CT9 Tricomplex of Compound 3, KRAS G12D, and CypA Deposited 2024-07-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：G12D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 A1AZY (2R)-2-{(5S)-7-[(2R)-2-aminopropanoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-2-cyclopentyl-N-[(1M,8S,10S,14R,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]acetamide (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；20% PEG 3350 + 0.20M Sodium chloride + 0.10M MES pH 5.5 + 1.25% Glycerol
Resolution 1.35 Å R-free 0.185
9CTA Tricomplex of RMC-9945, KRAS G12D, and CypA Deposited 2024-07-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G12D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AZW (2R)-2-{(5S)-7-[(2R)-3-cyclopropyl-2-(methylamino)propanoyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-21-(2,2,2-trifluoroethyl)-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methylbutanamide (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；MES 5.5, NaCl, PEG3350
Resolution 1.29 Å R-free 0.194
9CTA Tricomplex of RMC-9945, KRAS G12D, and CypA Deposited 2024-07-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：G12D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 A1AZW (2R)-2-{(5S)-7-[(2R)-3-cyclopropyl-2-(methylamino)propanoyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-21-(2,2,2-trifluoroethyl)-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methylbutanamide (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；MES 5.5, NaCl, PEG3350
Resolution 1.29 Å R-free 0.194
9CTB Tri-complex of zoldonrasib (RMC-9805), KRAS G12D, and CypA Deposited 2024-07-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G12D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 A1AZZ (2R)-2-cyclopentyl-2-{(5S)-7-[(2R)-3-cyclopropyl-2-(methylamino)propanoyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(2S,6R,8S,10R,14S,21M)-21-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-22-(2,2,2-trifluoroethyl)-5,16-dioxa-2,10,22,28-tetraazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),20,23,26-tetraen-8-yl]acetamide (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M MES 5.5, 20% PEG3350, 0.1 M NaCl
Resolution 1.29 Å R-free 0.194
9CTB Tri-complex of zoldonrasib (RMC-9805), KRAS G12D, and CypA Deposited 2024-07-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：G12D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 A1AZZ (2R)-2-cyclopentyl-2-{(5S)-7-[(2R)-3-cyclopropyl-2-(methylamino)propanoyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(2S,6R,8S,10R,14S,21M)-21-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-22-(2,2,2-trifluoroethyl)-5,16-dioxa-2,10,22,28-tetraazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),20,23,26-tetraen-8-yl]acetamide (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M MES 5.5, 20% PEG3350, 0.1 M NaCl
Resolution 1.29 Å R-free 0.194
9DMM Crystal structure of human KRAS G12C covalently bound to Divarasib (GDC6036) Deposited 2024-09-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：C-terminus (residues 170-188) deleted
Mutation：G12C, C51S, C80S, C118S A1AWR 1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}propan-1-one × 1 MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1mM MgCl2, 0.1M MES, 30% PEG4000
Resolution 1.90 Å R-free 0.228
9E3S Tricomplex of RMC-9945, KRAS G12N, and CypA Deposited 2024-10-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 A1BEA (2R)-2-{(5S)-7-[(2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-21-(2,2,2-trifluoroethyl)-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methylbutanamide (non-preferred name) × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M MES 6 pH, 0.1-0.2 M NaCl, 21-26 %w/v PEG 3350
Resolution 1.08 Å R-free 0.178
9E3S Tricomplex of RMC-9945, KRAS G12N, and CypA Deposited 2024-10-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 A1BEA (2R)-2-{(5S)-7-[(2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-21-(2,2,2-trifluoroethyl)-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methylbutanamide (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M MES 6 pH, 0.1-0.2 M NaCl, 21-26 %w/v PEG 3350
Resolution 1.08 Å R-free 0.178
9E5D Discovery of an Orally Biovailable KRAS G12D Inhibitor Deposited 2024-10-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：residues 1-169
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 A1BEI methyl 3-[(7M)-1-[(1R,4R,5S)-2-azabicyclo[2.1.1]hexan-5-yl]-8-(2-cyanoethyl)-4-[3-(dimethylamino)azetidin-1-yl]-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-1H-imidazo[4,5-c]quinolin-2-yl]propanoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M (NH4)3 Citrate, 20% (w/v) PEG 3350
Resolution 1.36 Å R-free 0.193
9E5F Discovery of an Orally Bioavailable KRAS G12D Inhibitor Deposited 2024-10-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa） Fragment：residues 1-169
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 A1BEJ (4P)-4-{1-[(1R,4R,5S)-2-azabicyclo[2.1.1]hexan-5-yl]-8-chloro-4-[3-(dimethylamino)azetidin-1-yl]-6-fluoro-1H-imidazo[4,5-c]quinolin-7-yl}naphthalen-2-ol × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Sodium acetate, pH 4.6,30% PEG 4000 and 0.2M ammonium acetate
Resolution 1.35 Å R-free 0.178
9E9H Crystal structure of human KRAS G12C covalently bound to DEL triazine compound 5 Deposited 2024-11-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C51S,C80L,C118S CA CALCIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 A1BH6 (3S)-N,5-dimethyl-3-({4-[3-(morpholin-4-yl)phenyl]-6-(2-propanoyl-2,6-diazaspiro[3.4]octan-6-yl)-1,3,5-triazin-2-yl}amino)hexanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.001M calcium chloride, 0.1M MES pH6.5, 30% PEG 4000
Resolution 1.65 Å R-free 0.250
9E9I Crystal Structure of human KRAS G12C covalently bound to nopinone-derived naphthol compound 21 Deposited 2024-11-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C118A MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 A1BH5 1-{6-[(4P,6R,8R)-3-fluoro-4-(3-hydroxynaphthalen-1-yl)-7,7-dimethyl-5,6,7,8-tetrahydro-6,8-methanoquinolin-2-yl]-2,6-diazaspiro[3.4]octan-2-yl}propan-1-one × 1 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；0.2M ammonium acetate, 0.1M sodium citrate pH5.6, 32% PEG4000, 0.005M magnesium chloride
Resolution 1.18 Å R-free 0.199
9G0Y Human KRas4A (GDP) in complex with compound 11 Deposited 2024-07-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 A1IH1 N-(7-chloro-4-hydroxybenzo[d]thiazol-2-yl)-4-hydroxybenzenesulfonamide × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；292 K；27.5% PEG 8000, 400 mM LiCl
Resolution 1.31 Å R-free 0.169
9G4B Human KRas4A (GDP) in complex with compound 15 Deposited 2024-07-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 3 A1IIU (3Z)-7-chloro-10,21-dihydroxy-2,2-dioxo-18-(4-piperidyl)-2-lambda-6,5-dithia-3,12,18-triazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.7；292 K；25% PEG 8000, 500 mM LiCl, 100 mM bis-tris propane
Resolution 1.14 Å R-free 0.193
9GBJ KRAS G12D in complex with covalent inhibitor Deposited 2024-07-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 A1IJ7 1-[(3S)-1-[2-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]-6-[(1S)-1-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyrimidin-4-yl]pyrrolidin-3-yl]-3-[1-(methoxymethyl)cyclopropyl]urea × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.2 mM MgCl2, 15% PEG 2000, 100 mM sodium acetate pH 4.4
Resolution 1.71 Å R-free 0.223
9GGT Human KRas4A (GDP) in complex with compound 8 Deposited 2024-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 A1IK7 N-(7-chloro-1,3-benzothiazol-2-yl)-3-hydroxy-benzenesulfonamide × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.2；292 K；25% PEG 8000, 300 mM LiCl, 100 mM bis-tris propane
Resolution 1.71 Å R-free 0.263
9GGU Human KRas4A (GDP) in complex with compound 9 Deposited 2024-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 A1IMC N-(7-chloro-1,3-benzothiazol-2-yl)-2-hydroxy-benzenesulfonamide × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.2；292 K；25% PEG 8000, 300 mM LiCl, 100 mM bis-tris propane
Resolution 1.60 Å R-free 0.208
9GGV Human KRas4A (GDP) in complex with compound 14 Deposited 2024-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 2 A1IK9 5-[(7-chloranyl-3-ethyl-4-oxidanyl-1,3-benzothiazol-2-yl)sulfamoyl]-~{N}-(2-hydroxyethyl)-2-oxidanyl-~{N}-piperidin-4-yl-benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；292 K；27.5% PEG 8000, 400 mM LiCl
Resolution 1.19 Å R-free 0.178
9GGW Human KRas4A (GDP) in complex with compound 16 Deposited 2024-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 A1ILA 11-(4-aminocyclohexyl)-16-chloro-1,15-dihydroxy-10,10-dioxo-10lambda6-thia-2,11lambda6-diaza-1lambda6,15lambda6-diphospha-3-phosphoniapentacyclo[7.5.1.01,15.03,15.013,15]hexadecan-12-one × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.9；292 K；25% PEG 8000, 300 mM LiCl, 100 mM bis-tris propane
Resolution 1.82 Å R-free 0.268
9GGW Human KRas4A (GDP) in complex with compound 16 Deposited 2024-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 A1ILA 11-(4-aminocyclohexyl)-16-chloro-1,15-dihydroxy-10,10-dioxo-10lambda6-thia-2,11lambda6-diaza-1lambda6,15lambda6-diphospha-3-phosphoniapentacyclo[7.5.1.01,15.03,15.013,15]hexadecan-12-one × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.9；292 K；25% PEG 8000, 300 mM LiCl, 100 mM bis-tris propane
Resolution 1.82 Å R-free 0.268
9GGX Human KRas4A (GMPPNP) in complex with compound 19 Deposited 2024-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C118S GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CO COBALT (II) ION × 1 A1IMB (3E,15S)-17-(cis-4-aminocyclohexyl)-7-chloro-10,15,20-trihydroxy-2,2-dioxo-2-lambda-6,5-dithia-3,12,17-triazatetracyclo[17.3.1.04,12.06,11]tricosa-1(22),3,6(11),7,9,19(23),20-heptaen-18-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；24% PEG 3350, 150 mM MgCl2, 10 mM CoCl2, 100 mM HEPES
Resolution 1.30 Å R-free 0.224
9GGY Human KRas4A (GDP) in complex with compound 29 Deposited 2024-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 2 A1IK3 12-(1-aza-5-azanidaspiro[4.5]decan-8-yl)-18-[(1-chloro-3-hydroxy-1,2,3-benzothiadiazol-5-yl)-lambda4-sulfanylidene]-4-hydroxy-3,3-dioxo-3lambda6-thia-1,4,12,17-tetraza-2lambda6-thia-6,10,19-triaza-3 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；25% PEG 8000, 300 mM LiCl, 100 mM bis-tris propane
Resolution 1.27 Å R-free 0.194
9GGZ Human KRas4A (GMPPNP) in complex with compound 31 Deposited 2024-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C118S GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CO COBALT (II) ION × 2 A1IK8 (3Z)-18-(4-aminocyclohexyl)-7-chloro-10-hydroxy-2,2-dioxo-21-[[(3S)-pyrrolidin-3-yl]amino]-2-lambda-6,5-dithia-3,12,18,22-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；24% PEG 3350, 100 mM MgCl2, 10 mM CoCl2, 100 mM HEPES
Resolution 1.37 Å R-free 0.231
9GH0 Human KRas4A (GMPPNP) in complex with compound 32 Deposited 2024-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C118S GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CO COBALT (II) ION × 2 A1IMA (3Z)-18-(4-aminocyclohexyl)-7-chloro-10-hydroxy-2,2-dioxo-21-piperazin-1-yl-2-lambda-6,5-dithia-3,12,18,22-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；24% PEG 3350, 100 mM MgCl2, 10 mM CoCl2, 100 mM HEPES
Resolution 1.57 Å R-free 0.240
9GH1 Human KRas4A (GMPPNP) in complex with compound 34 Deposited 2024-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C118S GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CO COBALT (II) ION × 1 A1IK5 (3Z)-18-(4-aminocyclohexyl)-21-[[4-(2-aminoethylamino)cyclohexyl]amino]-7-chloro-10-hydroxy-2,2-dioxo-2lambda6,5-dithia-3,12,18,22-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；20% PEG 3350, 150 mM MgCl2, 10 mM CoCl2, 100 mM HEPES
Resolution 1.33 Å R-free 0.247
9GH2 Human KRas4A (GMPPNP) in complex with compound 36 Deposited 2024-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：C118S GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CO COBALT (II) ION × 2 A1ILF (3Z)-18-(4-aminocyclohexyl)-21-[4-(4-amino-1-piperidyl)-1-piperidyl]-7-chloro-10-hydroxy-2,2-dioxo-2-lambda-6,5-dithia-3,12,18,22-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；24% PEG 3350, 150 mM MgCl2, 10 mM CoCl2, 100 mM HEPES
Resolution 1.35 Å R-free 0.217
9GLU Crystal structure of KRasG12D-GDP in complex with the peptide MPB1 Deposited 2024-08-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；25% PEG 3350, 0.1 mM BisTris pH 5.5
Resolution 1.90 Å R-free 0.215
9GLU Crystal structure of KRasG12D-GDP in complex with the peptide MPB1 Deposited 2024-08-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；25% PEG 3350, 0.1 mM BisTris pH 5.5
Resolution 1.90 Å R-free 0.215
9GTK KRAS in complex with DARPin 784_F5 Deposited 2024-09-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–186（186 aa）
Not recorded EDO 1,2-ETHANEDIOL × 18 MG MAGNESIUM ION × 2 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 1PE PENTAETHYLENE GLYCOL × 1 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；Crystals grew within 25 days in 0.2 M potassium sodium tartrate, 20% w/v PEG 3350
Resolution 2.00 Å R-free 0.201
9GTK KRAS in complex with DARPin 784_F5 Deposited 2024-09-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–186（186 aa）
Not recorded EDO 1,2-ETHANEDIOL × 10 MG MAGNESIUM ION × 2 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 PGE TRIETHYLENE GLYCOL × 1 SRT S,R MESO-TARTARIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；Crystals grew within 25 days in 0.2 M potassium sodium tartrate, 20% w/v PEG 3350
Resolution 2.00 Å R-free 0.201
9GTK KRAS in complex with DARPin 784_F5 Deposited 2024-09-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1–186（186 aa）
Not recorded EDO 1,2-ETHANEDIOL × 2 MG MAGNESIUM ION × 2 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 PGE TRIETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；Crystals grew within 25 days in 0.2 M potassium sodium tartrate, 20% w/v PEG 3350
Resolution 2.00 Å R-free 0.201
9HMR KRAS-G12V-D92C covalently bound to BI-1830 Deposited 2024-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 1 A1IWE 1-[4-[2-[(4-bromanyl-2-methyl-phenyl)amino]ethanoyl]piperazin-1-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M BIS-TRIS propane pH 7.5, 10% ethylene glycol, 20% PEG 3350, 0.2 M sodium fluoride
Resolution 1.50 Å R-free 0.239
9HMR KRAS-G12V-D92C covalently bound to BI-1830 Deposited 2024-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 1 A1IWE 1-[4-[2-[(4-bromanyl-2-methyl-phenyl)amino]ethanoyl]piperazin-1-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M BIS-TRIS propane pH 7.5, 10% ethylene glycol, 20% PEG 3350, 0.2 M sodium fluoride
Resolution 1.50 Å R-free 0.239
9HMR KRAS-G12V-D92C covalently bound to BI-1830 Deposited 2024-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 1 A1IWE 1-[4-[2-[(4-bromanyl-2-methyl-phenyl)amino]ethanoyl]piperazin-1-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M BIS-TRIS propane pH 7.5, 10% ethylene glycol, 20% PEG 3350, 0.2 M sodium fluoride
Resolution 1.50 Å R-free 0.239
9HMR KRAS-G12V-D92C covalently bound to BI-1830 Deposited 2024-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 1 A1IWE 1-[4-[2-[(4-bromanyl-2-methyl-phenyl)amino]ethanoyl]piperazin-1-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M BIS-TRIS propane pH 7.5, 10% ethylene glycol, 20% PEG 3350, 0.2 M sodium fluoride
Resolution 1.50 Å R-free 0.239
9I5E A Coiled Coil Module Strategy for High-Resolution Cryo-EM Structures of Small Proteins for Drug Discovery Deposited 2025-01-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–164（164 aa）
Chain B 1–164（164 aa）
Not recorded M1X {(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2S)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 2 MG MAGNESIUM ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.77 Å
9I7Y Crystal Structure of KRasG13C in Complex with Nucleotide-based Covalent Inhibitor 7b Deposited 2025-02-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded A1I08 [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] (3~{S})-3-(propanoylamino)piperidine-1-carboxylate × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291 K；30 % PEG4000, 100 mM NaAc pH 9.0, 200 mM Tris pH 9.0 followed by shrinking of the crystal in new drop with crytallization condition, SEC buffer and 20 % glycerol for 24 h.
Resolution 1.85 Å R-free 0.228
9I7Y Crystal Structure of KRasG13C in Complex with Nucleotide-based Covalent Inhibitor 7b Deposited 2025-02-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded A1I08 [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] (3~{S})-3-(propanoylamino)piperidine-1-carboxylate × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291 K；30 % PEG4000, 100 mM NaAc pH 9.0, 200 mM Tris pH 9.0 followed by shrinking of the crystal in new drop with crytallization condition, SEC buffer and 20 % glycerol for 24 h.
Resolution 1.85 Å R-free 0.228
9I7Y Crystal Structure of KRasG13C in Complex with Nucleotide-based Covalent Inhibitor 7b Deposited 2025-02-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Not recorded A1I08 [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] (3~{S})-3-(propanoylamino)piperidine-1-carboxylate × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291 K；30 % PEG4000, 100 mM NaAc pH 9.0, 200 mM Tris pH 9.0 followed by shrinking of the crystal in new drop with crytallization condition, SEC buffer and 20 % glycerol for 24 h.
Resolution 1.85 Å R-free 0.228
9IAP Structure of 1 in complex with GDP-KRAS Deposited 2025-02-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 1 A1I1P (4~{S})-2-azanyl-4-methyl-4-[3-(3-piperazin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.2mM Magnesium Chloride, 20% PEG 2000, 100mM sodium acetate pH 4.4
Resolution 1.18 Å R-free 0.232
9IAW Structure of 5 in complex with GDP-KRAS Deposited 2025-02-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 1 A1I1R (4~{S})-2-azanyl-4-methyl-4-[3-[2-[(2~{S})-2-methylpiperazin-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.2mM Magnesium Chloride, 20% PEG 2000, 100mM sodium acetate pH 4.4
Resolution 1.00 Å R-free 0.200
9IAY Structure of 10 in complex with GDP-KRAS Deposited 2025-02-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 1 WYU (4S)-2-azanyl-4-methyl-4-[3-[2-[(2S)-2-methyl-1,4-diazepan-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.2mM Magnesium Chloride, 20% PEG 2000, 100mM sodium acetate pH 4.4
Resolution 0.95 Å R-free 0.191
9IB4 Structure of 12 in complex with GDP-KRAS Deposited 2025-02-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 2 A1I1Z (4~{S})-2-azanyl-4-methyl-4-[3-[2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.2mM Magnesium Chloride, 20% PEG 2000, 100mM sodium acetate pH 4.4
Resolution 1.06 Å R-free 0.239
9IB5 Structure of 18 (BI-2493) in complex with GDP-KRAS Deposited 2025-02-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–164（164 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 1 VU6 (7~{S})-2'-azanyl-3-[2-[(2~{S})-2-methylpiperazin-1-yl]pyrimidin-4-yl]spiro[5,6-dihydro-4~{H}-1,2-benzoxazole-7,4'-6,7-dihydro-5~{H}-1-benzothiophene]-3'-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.2mM Magnesium Chloride, 20% PEG 2000, 100mM sodium acetate pH 4.4
Resolution 1.01 Å R-free 0.191
9KFL KRAS G12V and peptide complex Deposited 2024-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 7 PDB declaration: heptameric
Chain A 1–168（168 aa）
Chain D 1–168（168 aa）
Chain E 1–168（168 aa）
Chain H 1–168（168 aa）
Chain K 1–168（168 aa）
Mutation：G12V Mutation：G12V Mutation：G12V Mutation：G12V Mutation：G12V MG MAGNESIUM ION × 5 GDP GUANOSINE-5'-DIPHOSPHATE × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；Polyethylene glycol 3350, 0.2M potassium nitrate (pH 6.8)
Resolution 3.45 Å R-free 0.233
9KPM Crystal structure of KRAS-G12C in complex with compound 16 (JAB-16) Deposited 2024-11-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12C GDP GUANOSINE-5'-DIPHOSPHATE × 1 A1L6C 7-[2-azanyl-3,5-bis(chloranyl)-6-fluoranyl-phenyl]-6-chloranyl-1-(4-methyl-2-propan-2-yl-pyridin-3-yl)-2-oxidanylidene-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；277 K；0.2 M Magnesium Chloride, 0.1 M Tris pH 8.3, 25% w/v PEG 3350
Resolution 1.41 Å R-free 0.194
9KPN Crystal structure of KRAS-G12C in complex with Compound 20 (JAB-20) Deposited 2024-11-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12C GDP GUANOSINE-5'-DIPHOSPHATE × 1 A1L6B Glecirasib bound form × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.3；277 K；0.1 M Sodium cacodylate, pH 5.3, 25% w/v PEG 4000
Resolution 1.29 Å R-free 0.193
9KPN Crystal structure of KRAS-G12C in complex with Compound 20 (JAB-20) Deposited 2024-11-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12C GDP GUANOSINE-5'-DIPHOSPHATE × 1 A1L6B Glecirasib bound form × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.3；277 K；0.1 M Sodium cacodylate, pH 5.3, 25% w/v PEG 4000
Resolution 1.29 Å R-free 0.193
9L6A Crystal structure of KRas G12D (GDP) in complex with compound 1 Deposited 2024-12-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 A1L65 6-cyclopropyl-4-[(1~{S},4~{S})-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoranyl-5-methyl-1~{H}-indazol-4-yl)-2-(oxan-4-yloxy)-8-phenylmethoxy-quinazoline × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；Tris, magnesium chloride, NaCl, PEG3350
Resolution 1.36 Å R-free 0.245
9L6F Crystal structure of KRas G12D (GDP) in complex with ASP3082 Deposited 2024-12-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–169（169 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；bis-tris propane, sodium formate, PEG3350
Resolution 3.18 Å R-free 0.305
9L6F Crystal structure of KRas G12D (GDP) in complex with ASP3082 Deposited 2024-12-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain H 1–169（169 aa）
Mutation：G12D A1L66 ASP3082 × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；bis-tris propane, sodium formate, PEG3350
Resolution 3.18 Å R-free 0.305
9L6F Crystal structure of KRas G12D (GDP) in complex with ASP3082 Deposited 2024-12-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 1–169（169 aa）
Mutation：G12D A1L66 ASP3082 × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；bis-tris propane, sodium formate, PEG3350
Resolution 3.18 Å R-free 0.305
9L6F Crystal structure of KRas G12D (GDP) in complex with ASP3082 Deposited 2024-12-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain P 1–169（169 aa）
Mutation：G12D A1L66 ASP3082 × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；bis-tris propane, sodium formate, PEG3350
Resolution 3.18 Å R-free 0.305
9MF0 Crystal structure of KRAS(GDP) bound to LZTR1(Kelch domain) Deposited 2024-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：T35A, E62A MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；8% w/v PGA-LM. 0.3M sodium malonate dibasic monohydrate, 0.1M sodium acetate pH 5.0.
Resolution 3.30 Å R-free 0.233
9MF0 Crystal structure of KRAS(GDP) bound to LZTR1(Kelch domain) Deposited 2024-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–169（169 aa）
Mutation：T35A, E62A MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；8% w/v PGA-LM. 0.3M sodium malonate dibasic monohydrate, 0.1M sodium acetate pH 5.0.
Resolution 3.30 Å R-free 0.233
9MF0 Crystal structure of KRAS(GDP) bound to LZTR1(Kelch domain) Deposited 2024-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–169（169 aa）
Mutation：T35A, E62A MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；8% w/v PGA-LM. 0.3M sodium malonate dibasic monohydrate, 0.1M sodium acetate pH 5.0.
Resolution 3.30 Å R-free 0.233
9MF0 Crystal structure of KRAS(GDP) bound to LZTR1(Kelch domain) Deposited 2024-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 1–169（169 aa）
Mutation：T35A, E62A MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；8% w/v PGA-LM. 0.3M sodium malonate dibasic monohydrate, 0.1M sodium acetate pH 5.0.
Resolution 3.30 Å R-free 0.233
9MF0 Crystal structure of KRAS(GDP) bound to LZTR1(Kelch domain) Deposited 2024-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain I 1–169（169 aa）
Mutation：T35A, E62A MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；8% w/v PGA-LM. 0.3M sodium malonate dibasic monohydrate, 0.1M sodium acetate pH 5.0.
Resolution 3.30 Å R-free 0.233
9N44 Crystal structure of human KRAS-G12C covalent bound to Olomorasib Deposited 2025-02-01 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12C GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 3 A1BV7 Olomorasib Bound Form × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；100mM Tris HCl pH 7.5 + 26.7% PEG 4K + 200mM Calcium Chloride
Resolution 1.11 Å R-free 0.189
9N9N Crystal structure of KRAS(G12C) bound to the cyclic peptide UNC10415730A Deposited 2025-02-11 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G12C GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.15 M Potassium Bromide, 30 % (w/v) PEG 2000 MME
Resolution 1.24 Å R-free 0.198
9N9N Crystal structure of KRAS(G12C) bound to the cyclic peptide UNC10415730A Deposited 2025-02-11 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Mutation：G12C GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.15 M Potassium Bromide, 30 % (w/v) PEG 2000 MME
Resolution 1.24 Å R-free 0.198
9NF2 KRAS G12D Mutant KRAS 1-169 at 298 K bound to MRTX-1133 and GMPPNP Deposited 2025-02-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D, C51S, C80L, C118S 6IC 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG4000, Bis-Tris, pH 5.5, sodium acetate, 2-propanol
Resolution 1.70 Å R-free 0.213
9NFB Structure of the cross-HLA supertype antibody R302 bound to a class I MHC presenting a divarasib-modified KRAS-G12C peptide on HLA-A*02 Deposited 2025-02-21 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain C 5–14（10 aa）
Mutation：G12C A1AWR 1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}propan-1-one × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE；blot time 4 s blot force 5
Resolution 3.23 Å
9NFC Structure of the cross-HLA supertype antibody R302 bound to a class I MHC presenting a divarasib-modified KRAS-G12C peptide on HLA-A*03 Deposited 2025-02-21 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain C 7–16（10 aa）
Mutation：G12C A1AWR 1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}propan-1-one × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE；blot time 4 s blot force 5
Resolution 2.58 Å
9NI3 Cryo-EM structure of the PI3K alpha/KRas complex on POPC/POPS/PIP2 nanodiscs Deposited 2025-02-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–188（188 aa）
Not recorded PBU (2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1 ,2-DIYL DIBUTANOATE × 1 A1AZD tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate × 1 MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；50 mM Tris-HCL, 150 mM NaCl, 1mM TCEP
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.82 Å
9NI4 Cryo-EM structure of the PI3K alpha/KRas/HER3 phosphopeptide complex dimer on POPC/POPS/PIP2 nanodiscs Deposited 2025-02-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1–188（188 aa）
Chain D 1–188（188 aa）
Not recorded A1AZD tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate × 2 MG MAGNESIUM ION × 2 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；50 mM Tris-HCL, 150 mM NaCl, 1mM TCEP
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.61 Å
9NI5 Cryo-EM structure of the PI3K alpha/KRas/HER3 phosphopeptide complex on POPC/POPS/PIP2 nanodiscs Deposited 2025-02-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–188（188 aa）
Not recorded A1AZD tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate × 1 MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；50 mM Tris-HCL, 150 mM NaCl, 1mM TCEP
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.89 Å
9NI6 Cryo-EM structure of the Class 1 PI3K alpha/KRas complex on POPC/POPS nanodiscs Deposited 2025-02-25 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–188（188 aa）
Not recorded A1AZD tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate × 1 MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；50 mM Tris-HCL, 150 mM NaCl, 1mM TCEP
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.01 Å
9NI7 Cryo-EM structure of the Class 3 PI3K alpha/KRas complex on POPC/POPS nanodiscs Deposited 2025-02-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–188（188 aa）
Not recorded A1AZD tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate × 1 MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；50 mM Tris-HCL, 150 mM NaCl, 1mM TCEP
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.05 Å
9NI8 Cryo-EM structure of the Class 2 PI3K alpha/KRas complex on POPC/POPS nanodiscs Deposited 2025-02-25 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–188（188 aa）
Not recorded A1AZD tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate × 1 MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；50 mM Tris-HCL, 150 mM NaCl, 1mM TCEP
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.23 Å
9NID Cryo-EM structure of the PI3K alpha/KRas/HER3 phosphopeptide complex dimer on POPC/POPS/PIP2 nanodiscs low-pass filtered to 5 angstroms Deposited 2025-02-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1–188（188 aa）
Chain D 1–188（188 aa）
Not recorded A1AZD tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate × 2 MG MAGNESIUM ION × 2 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；50 mM Tris-HCL, 150 mM NaCl, 1mM TCEP
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 5.00 Å
9NIE Cryo-EM structure of the PI3K alpha/KRas/HER3 phosphopeptide complex on POPC/POPS/PIP2 nanodiscs low-pass filtered to 5 angstroms Deposited 2025-02-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–188（188 aa）
Not recorded A1AZD tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate × 1 MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；50 mM Tris-HCL, 150 mM NaCl, 1mM TCEP
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 5.00 Å
9NIF Cryo-EM structure of the PI3K alpha/KRas complex on POPC/POPS/PIP2 nanodiscs low-pass filtered to 5 angstroms Deposited 2025-02-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–188（188 aa）
Not recorded PBU (2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1 ,2-DIYL DIBUTANOATE × 1 A1AZD tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate × 1 MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；50 mM Tris-HCL, 150 mM NaCl, 1mM TCEP
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 5.00 Å
9NLC Cryo-EM structure of the Class 1 PI3K alpha/KRas complex on POPC/POPS nanodiscs low-pass filtered to 10 angstroms Deposited 2025-03-03 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–188（188 aa）
Not recorded A1AZD tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate × 1 MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；50 mM Tris-HCL, 150 mM NaCl, 1mM TCEP
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 10.00 Å
9NZM Crystal Structure of Kirsten Rat Sarcoma G12C Complexed with GMPPNP and Covalently Bound to an Adduct of {(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2Z)-2-fluoro-3-(pyridin-2-yl)prop-2-enoyl]piperazin-2-yl}acetonitrile Deposited 2025-04-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12C, C51S, C80L, C121S GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 A1B7P {(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(3R)-3-fluoro-3-(pyridin-2-yl)propanoyl]piperazin-2-yl}acetonitrile × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；100 MM Sodium cacodylate, pH 6.5, 1 M tri-sodium citrate dihydrate
Resolution 1.59 Å R-free 0.229
9NZM Crystal Structure of Kirsten Rat Sarcoma G12C Complexed with GMPPNP and Covalently Bound to an Adduct of {(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2Z)-2-fluoro-3-(pyridin-2-yl)prop-2-enoyl]piperazin-2-yl}acetonitrile Deposited 2025-04-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12C, C51S, C80L, C121S GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 A1B7P {(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(3R)-3-fluoro-3-(pyridin-2-yl)propanoyl]piperazin-2-yl}acetonitrile × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；100 MM Sodium cacodylate, pH 6.5, 1 M tri-sodium citrate dihydrate
Resolution 1.59 Å R-free 0.229
9NZN Crystal Structure of Kirsten Rat Sarcoma G12C Complexed with GDP and Covalently Bound to an Adduct of (2S)-1-{4-[(7P)-7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-fluoro-3-(1,3-thiazol-2-yl)propan-1-one Deposited 2025-04-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 A1B7Q (2S)-1-{4-[(7P)-7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-fluoro-3-(1,3-thiazol-2-yl)propan-1-one × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；100 MM Sodium acetate anhydrous, pH 4.6, 200 MM ammonium sulfate, 25% (w/v) PEG 4000
Resolution 1.50 Å R-free 0.224
9O0N Crystal structure of GDP-bound wild type KRAS in complex with MRTX1133 Deposited 2025-04-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 6IC 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；25% PEG 1500, 30% MPD, 0.1M sodium acetate, pH 4.5
Resolution 1.40 Å R-free 0.198
9O0O Crystal structure of GMPPNP-bound wild type KRAS in complex with MRTX1133 Deposited 2025-04-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 6IC 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol × 1 GOL GLYCEROL × 3 SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；2M lithium sulfate, 15mM magnesium chloride, 5mM spermidine, 50mM sodium cacodylate pH 6.0
Resolution 1.90 Å R-free 0.207
9O0R Crystal structure of wild-type KRAS (GDP-bound) in complex with MRTX849 (adagrasib) Deposited 2025-04-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 ZN ZINC ION × 3 A1B7W Adagrasib × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；45 mM zinc acetate, 18% PEG 3350, 40 mM trans-4-hydroxy-L-proline
Resolution 1.81 Å R-free 0.247
9O0R Crystal structure of wild-type KRAS (GDP-bound) in complex with MRTX849 (adagrasib) Deposited 2025-04-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 ZN ZINC ION × 3 A1B7W Adagrasib × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；45 mM zinc acetate, 18% PEG 3350, 40 mM trans-4-hydroxy-L-proline
Resolution 1.81 Å R-free 0.247
9O0S Crystal structure of KRAS-Q61R mutant, GMPPNP-bound Deposited 2025-04-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：Q61R GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG 8000, 20% PEG 400, 100 mM magnesium chloride, 100 mM Tris pH 8.5
Resolution 1.89 Å R-free 0.229
9O55 Structure of a synthetic antibody (RM010) in complex with a class I MHC presenting a hapten-peptide conjugate Deposited 2025-04-09 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 7–16（10 aa）
Not recorded A1B8E [(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.88 Å
9O65 Cryo-EM structure of SHOC2-KRAS-PP1CA (SKP) complex Deposited 2025-04-11 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–169（169 aa）
Mutation：Q61R GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 MN MANGANESE (II) ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å
9OEL KRAS Wild Type 1-169 at 293 K Deposited 2025-04-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；200 mM sodium acetate, pH 3.6-5.6, 100 mM Tris, pH 8.5, 22-28% PEG3350
Resolution 1.50 Å R-free 0.212
9OEL KRAS Wild Type 1-169 at 293 K Deposited 2025-04-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；200 mM sodium acetate, pH 3.6-5.6, 100 mM Tris, pH 8.5, 22-28% PEG3350
Resolution 1.50 Å R-free 0.212
9OEX K-Ras G12V at 293 K Deposited 2025-04-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12V GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；200 mM sodium acetate, pH 4.5-4.7, 100 mM Tris, pH 8.5, 20% PEG3350, 1 mM DTT
Resolution 1.50 Å R-free 0.221
9OEX K-Ras G12V at 293 K Deposited 2025-04-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12V GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；200 mM sodium acetate, pH 4.5-4.7, 100 mM Tris, pH 8.5, 20% PEG3350, 1 mM DTT
Resolution 1.50 Å R-free 0.221
9P44 Crystal structure of KRAS-G12D (GDP-bound) in complex with BBO-11818 Deposited 2025-06-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 A1CG4 methyl (3S)-3-{[(7P)-7-(2-amino-3-cyano-7-fluoro-1-benzothiophen-4-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-4-yl](ethyl)amino}pyrrolidine-1-carboxylate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M CHES pH 9.5, 1 M tri-sodium citrate
Resolution 1.70 Å R-free 0.213
9P44 Crystal structure of KRAS-G12D (GDP-bound) in complex with BBO-11818 Deposited 2025-06-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D, C118S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 A1CG4 methyl (3S)-3-{[(7P)-7-(2-amino-3-cyano-7-fluoro-1-benzothiophen-4-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-4-yl](ethyl)amino}pyrrolidine-1-carboxylate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M CHES pH 9.5, 1 M tri-sodium citrate
Resolution 1.70 Å R-free 0.213
9P45 Crystal structure of KRAS-G12D (GMPPNP-bound) in complex with BBO-11818 Deposited 2025-06-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D, C118S GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 2 A1CG4 methyl (3S)-3-{[(7P)-7-(2-amino-3-cyano-7-fluoro-1-benzothiophen-4-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-4-yl](ethyl)amino}pyrrolidine-1-carboxylate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M MES pH 6, 45% PEG 200, 0.05 M CaCl2
Resolution 1.35 Å R-free 0.194
9PIZ Structure of KRAS-G12C bound to 1-[(4aR,10P,13R)-10-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-11-chloro-9-fluoro-1,2,4a,5-tetrahydropyrazino[1',2':4,5][1,4]oxazino[2,3-c]quinolin-3(4H)-yl]prop-2-en-1-one (compound 15) Deposited 2025-07-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–169（169 aa）
Mutation：G12C MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 A1CII 1-[(4aR,10P,13R)-10-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-11-chloro-9-fluoro-1,2,4a,5-tetrahydropyrazino[1',2':4,5][1,4]oxazino[2,3-c]quinolin-3(4H)-yl]prop-2-en-1-one × 1 PEG DI(HYDROXYETHYL)ETHER × 7 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 3 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M sodium cacodylate, pH 6.4, 37% PEG300, 0.2 M calcium acetate, 0.4 mM TCEP
Resolution 1.94 Å R-free 0.218
9PVF KRAS complex with UM0152533 compound Deposited 2025-08-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–166（166 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.9；293.15 K；0.1 M Bis-Tris, 0.2 M MgCl2, 25 % PEG 3,350
Resolution 2.00 Å R-free 0.215
9PVF KRAS complex with UM0152533 compound Deposited 2025-08-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–166（166 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.9；293.15 K；0.1 M Bis-Tris, 0.2 M MgCl2, 25 % PEG 3,350
Resolution 2.00 Å R-free 0.215
9PVF KRAS complex with UM0152533 compound Deposited 2025-08-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–166（166 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.9；293.15 K；0.1 M Bis-Tris, 0.2 M MgCl2, 25 % PEG 3,350
Resolution 2.00 Å R-free 0.215
9PVF KRAS complex with UM0152533 compound Deposited 2025-08-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1–166（166 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.9；293.15 K；0.1 M Bis-Tris, 0.2 M MgCl2, 25 % PEG 3,350
Resolution 2.00 Å R-free 0.215
9PVF KRAS complex with UM0152533 compound Deposited 2025-08-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–166（166 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.9；293.15 K；0.1 M Bis-Tris, 0.2 M MgCl2, 25 % PEG 3,350
Resolution 2.00 Å R-free 0.215
9PVF KRAS complex with UM0152533 compound Deposited 2025-08-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 1–166（166 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.9；293.15 K；0.1 M Bis-Tris, 0.2 M MgCl2, 25 % PEG 3,350
Resolution 2.00 Å R-free 0.215
9PZF Structure of KRAS G12C bound to Compound 4 Deposited 2025-08-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–169（168 aa）
Mutation：G12C variant, C51S, C80L, C118S A1CQ2 1-(4-{(7M)-7-[6-amino-3-(trifluoromethyl)pyridin-2-yl]-6-chloroquinazolin-4-yl}piperazin-1-yl)propan-1-one × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；292 K；100mM Tris pH 8.3-8.7, 28%-32% PEG 3350, and 200mM MgCl2
Resolution 1.84 Å R-free 0.204
9PZF Structure of KRAS G12C bound to Compound 4 Deposited 2025-08-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–169（168 aa）
Mutation：G12C variant, C51S, C80L, C118S A1CQ2 1-(4-{(7M)-7-[6-amino-3-(trifluoromethyl)pyridin-2-yl]-6-chloroquinazolin-4-yl}piperazin-1-yl)propan-1-one × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；292 K；100mM Tris pH 8.3-8.7, 28%-32% PEG 3350, and 200mM MgCl2
Resolution 1.84 Å R-free 0.204
9PZY Structure of KRAS G12C bound to Divarasib (GDC6036) Deposited 2025-08-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–169（168 aa）
Mutation：G12C variant GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 4 A1AWR 1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；292 K；100mM Tris pH 8.3-8.7, 28%-32% PEG 3350, 200mM MgCl2
Resolution 2.17 Å R-free 0.212
9PZY Structure of KRAS G12C bound to Divarasib (GDC6036) Deposited 2025-08-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–169（168 aa）
Mutation：G12C variant GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 DMS DIMETHYL SULFOXIDE × 1 EDO 1,2-ETHANEDIOL × 5 A1AWR 1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}propan-1-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；292 K；100mM Tris pH 8.3-8.7, 28%-32% PEG 3350, 200mM MgCl2
Resolution 2.17 Å R-free 0.212
9QPZ KRAS-WT(1-169) - GDP IN COMPLEX WITH compound (R)-1 Deposited 2025-03-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 A1I89 (4~{R})-4-[[(1~{S},5~{R})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]carbonyl]-3,3-dimethyl-oxetan-2-one × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20 % PEG 4000, 0.2 M (NH4)2SO4
Resolution 1.31 Å R-free 0.219
9QQ0 KRAS-G12D(1-169) - GDP IN covalent COMPLEX WITH compound (3R,4R)-3 Deposited 2025-03-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 A1I9E (2~{R})-2-ethyl-4-[(1~{R},5~{S})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-methyl-4-oxidanylidene-butanoic acid × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；30 % PEG 1000, 0.2 M MgSO4
Resolution 1.55 Å R-free 0.213
9QQ1 KRAS-G12D(1-169) - GDP IN covalent COMPLEX with compound (3S,4R)-8 Deposited 2025-03-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 A1I9F (2~{S})-4-[(1~{R},5~{S})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-methyl-2-(oxan-4-ylmethyl)-4-oxidanylidene-butanoic acid × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；30 % PEG 1000 0.2 M NaH2PO4
Resolution 1.30 Å R-free 0.207
9RK8 Crystal Structure of compound 3-mediated ternary complex of KRAS G12V C118S GDP with pVHL:ElonginC:ElonginB Deposited 2025-06-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 1–169（169 aa）
Not recorded A1JH1 (2~{S},4~{R})-1-[(2~{S})-2-[[1-[4-[(3~{S})-4-[4-[5-[(4~{S})-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5~{H}-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butanoyl]cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.1 M Tris pH 7.0, 0.2 M MgCl2, 10%w/v PEG 8000
Resolution 2.63 Å R-free 0.263
9RK8 Crystal Structure of compound 3-mediated ternary complex of KRAS G12V C118S GDP with pVHL:ElonginC:ElonginB Deposited 2025-06-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 1–169（169 aa）
Not recorded A1JH1 (2~{S},4~{R})-1-[(2~{S})-2-[[1-[4-[(3~{S})-4-[4-[5-[(4~{S})-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5~{H}-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butanoyl]cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.1 M Tris pH 7.0, 0.2 M MgCl2, 10%w/v PEG 8000
Resolution 2.63 Å R-free 0.263
9RKC Crystal Structure of ACBI4-mediated ternary complex of KRAS G12D C118S GDP with pVHL:ElonginC:ElonginB Deposited 2025-06-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 1–169（169 aa）
Not recorded A1JHI (2~{S},4~{R})-1-[(2~{S})-2-[(5~{S})-5-[3-[(3~{S})-4-[4-[5-[(4~{S})-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5~{H}-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]propyl]-4,5,6,7-tetrahydrobenzotriazol-1-yl]-3-methyl-butanoyl]-~{N}-[(1-methylindazol-6-yl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.2 M Na2SO4, 15% w/v PEG 3,350, 0.1 M BIS-TRIS propane pH 7.79
Resolution 2.19 Å R-free 0.275
9RKC Crystal Structure of ACBI4-mediated ternary complex of KRAS G12D C118S GDP with pVHL:ElonginC:ElonginB Deposited 2025-06-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 1–169（169 aa）
Not recorded A1JHI (2~{S},4~{R})-1-[(2~{S})-2-[(5~{S})-5-[3-[(3~{S})-4-[4-[5-[(4~{S})-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5~{H}-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]propyl]-4,5,6,7-tetrahydrobenzotriazol-1-yl]-3-methyl-butanoyl]-~{N}-[(1-methylindazol-6-yl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.2 M Na2SO4, 15% w/v PEG 3,350, 0.1 M BIS-TRIS propane pH 7.79
Resolution 2.19 Å R-free 0.275
9RKE Crystal Structure of compound 1-mediated ternary complex of KRAS G12R GCP with pVHL:ElonginC:ElonginB Deposited 2025-06-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 1–169（169 aa）
Not recorded GOL GLYCEROL × 1 X53 (2S,4R)-1-[(2R)-2-[3-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide × 1 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FLC CITRATE ANION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.1 M Bis Tris pH 7.3, 0.3 M trisodium citrate, 20% PEG 3350
Resolution 2.83 Å R-free 0.286
9RKE Crystal Structure of compound 1-mediated ternary complex of KRAS G12R GCP with pVHL:ElonginC:ElonginB Deposited 2025-06-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 1–169（169 aa）
Not recorded X53 (2S,4R)-1-[(2R)-2-[3-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide × 1 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FLC CITRATE ANION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.1 M Bis Tris pH 7.3, 0.3 M trisodium citrate, 20% PEG 3350
Resolution 2.83 Å R-free 0.286
9RKJ Crystal Structure of compound 3-mediated ternary complex of KRAS G12R GCP with pVHL:ElonginC:ElonginB Deposited 2025-06-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 1–169（169 aa）
Not recorded FLC CITRATE ANION × 2 A1JH1 (2~{S},4~{R})-1-[(2~{S})-2-[[1-[4-[(3~{S})-4-[4-[5-[(4~{S})-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5~{H}-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butanoyl]cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide × 1 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.1 M Bis Tris pH 7.3, 0.167 M trisodium citrate, 17%(w/v) PEG 3350
Resolution 2.89 Å R-free 0.288
9RKJ Crystal Structure of compound 3-mediated ternary complex of KRAS G12R GCP with pVHL:ElonginC:ElonginB Deposited 2025-06-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 1–169（169 aa）
Not recorded A1JH1 (2~{S},4~{R})-1-[(2~{S})-2-[[1-[4-[(3~{S})-4-[4-[5-[(4~{S})-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5~{H}-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butanoyl]cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide × 1 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.1 M Bis Tris pH 7.3, 0.167 M trisodium citrate, 17%(w/v) PEG 3350
Resolution 2.89 Å R-free 0.288
9RKN Crystal Structure of ACBI4-mediated ternary complex of KRAS G12R GCP with pVHL:ElonginC:ElonginB Deposited 2025-06-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 1–169（169 aa）
Not recorded SO4 SULFATE ION × 3 A1JHI (2~{S},4~{R})-1-[(2~{S})-2-[(5~{S})-5-[3-[(3~{S})-4-[4-[5-[(4~{S})-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5~{H}-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]propyl]-4,5,6,7-tetrahydrobenzotriazol-1-yl]-3-methyl-butanoyl]-~{N}-[(1-methylindazol-6-yl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide × 1 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.14 M Ammonium sulfate, 25% w/v Polyethylene glycol 3,350, 0.1M BIS-TRIS pH 5.8
Resolution 2.85 Å R-free 0.275
9RKN Crystal Structure of ACBI4-mediated ternary complex of KRAS G12R GCP with pVHL:ElonginC:ElonginB Deposited 2025-06-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 1–169（169 aa）
Not recorded A1JHI (2~{S},4~{R})-1-[(2~{S})-2-[(5~{S})-5-[3-[(3~{S})-4-[4-[5-[(4~{S})-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5~{H}-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]propyl]-4,5,6,7-tetrahydrobenzotriazol-1-yl]-3-methyl-butanoyl]-~{N}-[(1-methylindazol-6-yl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide × 1 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.14 M Ammonium sulfate, 25% w/v Polyethylene glycol 3,350, 0.1M BIS-TRIS pH 5.8
Resolution 2.85 Å R-free 0.275
9TBM From KRASG12D to pan-KRAS inhibitors Deposited 2025-11-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；containing 0.1M NaH2PO4/Na2HPO4 pH 9, 30.0% (w/v) PEG 3350
Resolution 1.60 Å R-free 0.254
9TBM From KRASG12D to pan-KRAS inhibitors Deposited 2025-11-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 A1JU5 4-[4-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6,8-bis(fluoranyl)quinazolin-7-yl]naphthalen-2-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；containing 0.1M NaH2PO4/Na2HPO4 pH 9, 30.0% (w/v) PEG 3350
Resolution 1.60 Å R-free 0.254
9TBM From KRASG12D to pan-KRAS inhibitors Deposited 2025-11-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Mutation：G12D MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；containing 0.1M NaH2PO4/Na2HPO4 pH 9, 30.0% (w/v) PEG 3350
Resolution 1.60 Å R-free 0.254
9TBR From KRASG12D to pan-KRAS inhibitors Deposited 2025-11-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–169（168 aa）
Not recorded GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 A1JU6 4-[6,8-bis(fluoranyl)-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1~{S},5~{R})-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；0.1M NaH2PO4/Na2HPO4 pH 9, 30.0% (w/v) PEG 3350
Resolution 1.65 Å R-free 0.212
9TBW From KRASG12D to pan-KRAS inhibitors Deposited 2025-11-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 CA CALCIUM ION × 1 A1JU7 4-[6,8-bis(fluoranyl)-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1,4-oxazepan-4-yl)quinazolin-7-yl]-5-chloranyl-naphthalen-2-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；0.1M sodium acetate pH 5.5, 30-35% PEG3350
Resolution 1.54 Å R-free 0.229
9TC0 From KRASG12D to pan-KRAS inhibitors Deposited 2025-11-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 A1JU8 (6~{S})-4-[7-(8-ethynyl-3-oxidanyl-naphthalen-1-yl)-6,8-bis(fluoranyl)-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-6-methyl-1,4-oxazepan-6-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1M sodium acetate pH 5.5, 30-35% PEG3350
Resolution 1.60 Å R-free 0.227
9TC2 From KRASG12D to pan-KRAS inhibitors Deposited 2025-11-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D Non-standard monomer：Yes (specific site not provided by mmCIF) GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 CA CALCIUM ION × 1 ACT ACETATE ION × 1 A1JU3 (6~{R})-1-[7-(8-chloranyl-3-oxidanyl-naphthalen-1-yl)-6,8-bis(fluoranyl)-2-[[(2~{R},8~{S})-2-fluoranyl-2,3,4,5,6,7-hexahydro-1~{H}-pyrrolizin-4-ium-8-yl]methoxy]quinazolin-4-yl]-6-methyl-1,4-diazepan-4-ium-6-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1M sodium acetate pH 5.5, 30-35% PEG3350
Resolution 1.30 Å R-free 0.198
9TC5 From KRASG12D to pan-KRAS inhibitors Deposited 2025-11-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 A1JU9 (1~{S},5~{S},6~{R})-3-[7-(8-ethynyl-3-oxidanyl-naphthalen-1-yl)-6,8-bis(fluoranyl)-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octan-6-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1M sodium acetate pH 5.5, 30-35% PEG3350
Resolution 1.35 Å R-free 0.212
9TC6 From KRASG12D to pan-KRAS inhibitors Deposited 2025-11-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–169（168 aa）
Mutation：G12D GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 A1JU2 4-[6,8-bis(fluoranyl)-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1~{S},5~{S},6~{R})-6-methoxy-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]-5-ethynyl-naphthalen-2-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；0.1M NaH2PO4/Na2HPO4 pH 9, 30.0-35% (w/v) PEG 3350
Resolution 1.63 Å R-free 0.222
9U50 GDP-bound KRAS G12V in complex with MCB-294 Deposited 2025-03-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 A1EN3 (3~{R})-1-[2-[[(8~{S})-6-[bis(fluoranyl)methylidene]-2,3,5,7-tetrahydro-1~{H}-pyrrolizin-8-yl]methoxy]-7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-pyrido[4,3-d]pyrimidin-4-yl]-3-methyl-piperidin-3-ol × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.2 M sodium acetate, 0.1 M Tris, pH 8.5, 26% (w/v) PEG 3350.
Resolution 1.87 Å R-free 0.228
9U50 GDP-bound KRAS G12V in complex with MCB-294 Deposited 2025-03-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 A1EN3 (3~{R})-1-[2-[[(8~{S})-6-[bis(fluoranyl)methylidene]-2,3,5,7-tetrahydro-1~{H}-pyrrolizin-8-yl]methoxy]-7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-pyrido[4,3-d]pyrimidin-4-yl]-3-methyl-piperidin-3-ol × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.2 M sodium acetate, 0.1 M Tris, pH 8.5, 26% (w/v) PEG 3350.
Resolution 1.87 Å R-free 0.228
9U50 GDP-bound KRAS G12V in complex with MCB-294 Deposited 2025-03-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 A1EN3 (3~{R})-1-[2-[[(8~{S})-6-[bis(fluoranyl)methylidene]-2,3,5,7-tetrahydro-1~{H}-pyrrolizin-8-yl]methoxy]-7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-pyrido[4,3-d]pyrimidin-4-yl]-3-methyl-piperidin-3-ol × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.2 M sodium acetate, 0.1 M Tris, pH 8.5, 26% (w/v) PEG 3350.
Resolution 1.87 Å R-free 0.228
9U5T GDP-bound KRAS G12D in complex with MCB-294 Deposited 2025-03-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 A1EN3 (3~{R})-1-[2-[[(8~{S})-6-[bis(fluoranyl)methylidene]-2,3,5,7-tetrahydro-1~{H}-pyrrolizin-8-yl]methoxy]-7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-pyrido[4,3-d]pyrimidin-4-yl]-3-methyl-piperidin-3-ol × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5, 26% (w/v) PEG 3350, 0.2 M sodium acetate
Resolution 1.80 Å R-free 0.211
9U8L Crystal structure of KRAS-G12D/Y96S mutant in complex with MRTX-1133 Deposited 2025-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D,Y96S MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 6IC 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；0.1 M SPG buffer pH 5.0, 25% (w/v) PEG 1500
Resolution 1.23 Å R-free 0.176
9U8T Crystal structure of KRAS-G12D/R68M mutant in complex with MRTX-1133 Deposited 2025-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D,R68M GDP GUANOSINE-5'-DIPHOSPHATE × 1 6IC 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；0.2 M Sodium chloride, 0.1 M Sodium acetate, pH5.0, 20% (w/v) PEG 6000
Resolution 1.40 Å R-free 0.183
9U8U Crystal structure of KRAS-G12D/Q61H mutant in complex with MRTX-1133 Deposited 2025-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D,Q61H GDP GUANOSINE-5'-DIPHOSPHATE × 1 6IC 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；0.2 M Ammonium chloride, 0.1 M Sodium acetate pH 5.0, 20% (w/v) PEG 6000
Resolution 1.32 Å R-free 0.180
9U8V Crystal structure of KRAS-G12D/Y96S mutant in complex with GDP Deposited 2025-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D,Y96S GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；0.1 M SPG buffer pH 7.0, 25% (w/v) PEG 1500
Resolution 1.57 Å R-free 0.195
9U8W Crystal structure of KRAS-G12D/Q99L mutant in complex with GDP Deposited 2025-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D,Q99L GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；0.01 M Zinc chloride, 0.1 M Sodium acetate pH 5.0, 20% (w/v) PEG 6000
Resolution 1.50 Å R-free 0.210
9U8W Crystal structure of KRAS-G12D/Q99L mutant in complex with GDP Deposited 2025-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D,Q99L GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；0.01 M Zinc chloride, 0.1 M Sodium acetate pH 5.0, 20% (w/v) PEG 6000
Resolution 1.50 Å R-free 0.210
9U8X Crystal structure of KRAS-G12D/R68M mutant in complex with GDP Deposited 2025-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D,R68M GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；0.2 M Sodium fluoride, 0.1 M Bis tris propane pH 6.5, 20% (w/v) PEG 3350
Resolution 1.65 Å R-free 0.256
9U8Y Crystal structure of KRAS-G12D/G13D mutant in complex with GDP Deposited 2025-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D,G13D GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；0.1 M MMT buffer pH 5.0, 25% (w/v) PEG 1500
Resolution 1.73 Å R-free 0.266
9U8Z Crystal structure of KRAS-G12D/Q61H mutant in complex with GDP Deposited 2025-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D,Q61H GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；0.1 M MIB buffer pH 4.0, 25% (w/v) PEG 1500
Resolution 1.20 Å R-free 0.196
9U90 Crystal structure of KRAS-G12D/E62K mutant in complex with GDP Deposited 2025-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D,E62K GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；0.1 M SPG buffer pH 7.0, 25% (w/v) PEG 1500
Resolution 1.20 Å R-free 0.202
9U95 Crystal structure of KRAS-G12D/Q99L mutant in complex with MRTX-1133 Deposited 2025-03-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D,Q99L 6IC 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol × 1 MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；0.1 M SPG buffer pH 4.0, 25% (w/v) PEG 1500
Resolution 1.75 Å R-free 0.201
9U95 Crystal structure of KRAS-G12D/Q99L mutant in complex with MRTX-1133 Deposited 2025-03-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D,Q99L 6IC 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol × 1 MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；0.1 M SPG buffer pH 4.0, 25% (w/v) PEG 1500
Resolution 1.75 Å R-free 0.201
9U97 Crystal structure of KRAS-G12D/G13D mutant in complex with MRTX-1133 Deposited 2025-03-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G12D,G13D 6IC 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 2 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；0.1 M SPG buffer pH 5.0, 25% (w/v) PEG 1500
Resolution 1.79 Å R-free 0.235
9U99 Crystal structure of KRAS-G12D/E62K mutant in complex with MRTX-1133 Deposited 2025-03-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12D,E62K 6IC 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；0.2 M Sodium chloride, 0.1 M Sodium acetate pH5.0, 20% (w/v) PEG 6000
Resolution 2.50 Å R-free 0.250
9U99 Crystal structure of KRAS-G12D/E62K mutant in complex with MRTX-1133 Deposited 2025-03-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12D,E62K 6IC 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；0.2 M Sodium chloride, 0.1 M Sodium acetate pH5.0, 20% (w/v) PEG 6000
Resolution 2.50 Å R-free 0.250
9U99 Crystal structure of KRAS-G12D/E62K mutant in complex with MRTX-1133 Deposited 2025-03-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Mutation：G12D,E62K 6IC 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；0.2 M Sodium chloride, 0.1 M Sodium acetate pH5.0, 20% (w/v) PEG 6000
Resolution 2.50 Å R-free 0.250
9U99 Crystal structure of KRAS-G12D/E62K mutant in complex with MRTX-1133 Deposited 2025-03-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–169（169 aa）
Mutation：G12D,E62K 6IC 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；0.2 M Sodium chloride, 0.1 M Sodium acetate pH5.0, 20% (w/v) PEG 6000
Resolution 2.50 Å R-free 0.250
9USB GppNHp-bound KRAS G12D in complex with MCB-294 Deposited 2025-05-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 A1EN3 (3~{R})-1-[2-[[(8~{S})-6-[bis(fluoranyl)methylidene]-2,3,5,7-tetrahydro-1~{H}-pyrrolizin-8-yl]methoxy]-7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-pyrido[4,3-d]pyrimidin-4-yl]-3-methyl-piperidin-3-ol × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.2 M sodium acetate, 0.1 M Tris, pH 8.5, 26% (w/v) PEG 3350.
Resolution 2.35 Å R-free 0.242
9USB GppNHp-bound KRAS G12D in complex with MCB-294 Deposited 2025-05-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 A1EN3 (3~{R})-1-[2-[[(8~{S})-6-[bis(fluoranyl)methylidene]-2,3,5,7-tetrahydro-1~{H}-pyrrolizin-8-yl]methoxy]-7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-pyrido[4,3-d]pyrimidin-4-yl]-3-methyl-piperidin-3-ol × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.2 M sodium acetate, 0.1 M Tris, pH 8.5, 26% (w/v) PEG 3350.
Resolution 2.35 Å R-free 0.242
9USB GppNHp-bound KRAS G12D in complex with MCB-294 Deposited 2025-05-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–169（169 aa）
Not recorded MG MAGNESIUM ION × 1 A1EN3 (3~{R})-1-[2-[[(8~{S})-6-[bis(fluoranyl)methylidene]-2,3,5,7-tetrahydro-1~{H}-pyrrolizin-8-yl]methoxy]-7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-pyrido[4,3-d]pyrimidin-4-yl]-3-methyl-piperidin-3-ol × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.2 M sodium acetate, 0.1 M Tris, pH 8.5, 26% (w/v) PEG 3350.
Resolution 2.35 Å R-free 0.242
9XZ1 KRAS(G12C)-RNK07311-HSP90(N-terminus) Deposited 2025-08-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–169（169 aa）
Not recorded BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CA CALCIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 A1CRY (5M)-4-{4-[(4-{4-[2-({7-(8-chloronaphthalen-1-yl)-4-[(3S)-3-(cyanomethyl)-4-propanoylpiperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl}oxy)ethyl]piperazine-1-carbonyl}piperidin-1-yl)methyl]phenyl}-5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4H-1,2,4-triazole-3-carboxamide × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；KRAS(G/C)-RNK07311-HSP90a complex was crystallized by sitting drop with vapor diffusion against 0.05M CaCl2, 0.1M Bis-Tris pH6.5, 30% PEGMME550 (drop size: 200 nl protein + 180nl reservoir + 20nl lysozyme seed).
Resolution 1.96 Å R-free 0.249
9YGS Crystal structure of GMPPNP bound KRAS-Y71H in complex with RBD domain of CRAF(RAF1) Deposited 2025-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：Y71H GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；100 mM Potassium thiocyanate, 30% PEG monomethyl ether 2000.
Resolution 1.68 Å R-free 0.233
9YOW Crystal structure of GMPPNP bound KRAS G12C in complex with CYPA and RMC-4791 Deposited 2025-10-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–169（169 aa）
Mutation：G12C MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 A1CYT 1-cyano-N-[(2S)-1-{[(1M,8S,10S,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methylcyclopropane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298.15 K；0.1 M Tris pH 8.0, 0.2 M NaCl, 20% PEG 6000
Resolution 1.57 Å R-free 0.245
9YOW Crystal structure of GMPPNP bound KRAS G12C in complex with CYPA and RMC-4791 Deposited 2025-10-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–169（169 aa）
Mutation：G12C MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 A1CYT 1-cyano-N-[(2S)-1-{[(1M,8S,10S,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methylcyclopropane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298.15 K；0.1 M Tris pH 8.0, 0.2 M NaCl, 20% PEG 6000
Resolution 1.57 Å R-free 0.245
9ZO9 KRAS G13D Mutant in Complex with GDP and Compound 6. Deposited 2025-12-15 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G13D, C51S, C80L, C118S No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.70 Å R-free 0.197
9ZPA KRAS G12V Mutant in Complex with GDP and Compound 12. Deposited 2025-12-16 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12V, C51S, C80L, C118S No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.68 Å R-free 0.255
9ZPA KRAS G12V Mutant in Complex with GDP and Compound 12. Deposited 2025-12-16 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12V, C51S, C80L, C118S No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.68 Å R-free 0.255
9ZPE KRAS G12V Mutant in Complex with GDP and Compound 8. Deposited 2025-12-16 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–169（169 aa）
Mutation：G12V, C51S, C80L, C118S No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.91 Å R-free 0.244
9ZPE KRAS G12V Mutant in Complex with GDP and Compound 8. Deposited 2025-12-16 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–169（169 aa）
Mutation：G12V, C51S, C80L, C118S No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.91 Å R-free 0.244

445 other PDB entries and 803 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name RASK_HUMAN
Isoform —
PDB entities 3
Chains and sequence ranges Author chain C； PDBConstruct 1–10； UniProt 7–16 Author chain F； PDBConstruct 1–10； UniProt 7–16

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 8k4t

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 8k4t
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2. Structure Basics 2. Structure Basics

Entry ID entry_id8k4t
Deposition date deposition_date2023-07-20
Structure title titleCrystal structure of HLA-A*11:01 in complex with KRAS G12C peptide (VVVGACGVGK)
Keywords keywordscancer immunotherapy, IMMUNE SYSTEM; IMMUNE SYSTEM
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier31.42 Å
Radius of gyration Rg (electron density) rg_electron30.42 Å
Forward intensity I(0) i0133902000.00
Molecular weight molecular_weight87979.0 kDa
Excluded volume excluded_volume108330 ų
Envelope volume envelope_volume142270 ų
Hydration-shell volume shell_volume38499 ų
Envelope diameter envelope_diameter106.7 Å
Shell Rg shell_rg38.15 Å
Envelope Rg envelope_rg29.99 Å
Shape Rg shape_rg30.41 Å
Total Rg total_rg31.11 Å
Total atoms total_atoms6213
Residues n_residues763
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax100.4 Å
Rg (real space) rg_real31.30 Å
Rg uncertainty (real space) rg_real_error0.78 Å
I(0) (real space) i0_real1.3390e+08
I(0) uncertainty (real space) i0_real_error2.1770e+06
Rg (reciprocal space) rg_reciprocal31.36 Å
I(0) (reciprocal space) i0_reciprocal133900000.0000
Solution quality estimate total_estimate0.9021
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary40.2 Å
Skewness Skewness skewness0.191
Kurtosis Kurtosis kurtosis-0.462
Angular range angular_range— – 0.2500 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha15440000.0000
Real-space data points n_real_points51
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.927; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.944
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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8. Citations (1)

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9. Files and Curves (10)