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5b3y

Crystal structure of hPin1 WW domain (5-23) fused with maltose-binding protein

Method: X-RAY DIFFRACTION Dmax: 77.0 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1,Maltose-binding periplasmic protein

Escherichia coli K-12

UniProt P0AEX9

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Monomer Protein × 1 其他Polymer 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain A； UniProt 27–393 Fragment：UNP(Q13526) residues 5-23,UNP(P0AEX9) residues 27-393 Mutation：R390N alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；1.6M Ammonium citrate Resolution 1.90 Å R-free 0.189

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 5B3Y Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
21DH Crystal structure of MBP-fused Monobody P' in complex with HPPU Deposited 2025-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 31–392（362 aa）
Mutation：A324V A1MC1 1-(4-hydroxyphenyl)-3-phenyl-urea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% (w/v) PEG 4000, 0.1M sodium acetate, 0.28M ammonium sulfate
Resolution 2.57 Å R-free 0.247
21DH Crystal structure of MBP-fused Monobody P' in complex with HPPU Deposited 2025-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain B 31–392（362 aa）
Mutation：A324V A1MC1 1-(4-hydroxyphenyl)-3-phenyl-urea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% (w/v) PEG 4000, 0.1M sodium acetate, 0.28M ammonium sulfate
Resolution 2.57 Å R-free 0.247
21DH Crystal structure of MBP-fused Monobody P' in complex with HPPU Deposited 2025-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain C 31–392（362 aa）
Mutation：A324V A1MC1 1-(4-hydroxyphenyl)-3-phenyl-urea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% (w/v) PEG 4000, 0.1M sodium acetate, 0.28M ammonium sulfate
Resolution 2.57 Å R-free 0.247
21DH Crystal structure of MBP-fused Monobody P' in complex with HPPU Deposited 2025-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain D 31–392（362 aa）
Mutation：A324V A1MC1 1-(4-hydroxyphenyl)-3-phenyl-urea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% (w/v) PEG 4000, 0.1M sodium acetate, 0.28M ammonium sulfate
Resolution 2.57 Å R-free 0.247
21DH Crystal structure of MBP-fused Monobody P' in complex with HPPU Deposited 2025-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain E 31–392（362 aa）
Mutation：A324V A1MC1 1-(4-hydroxyphenyl)-3-phenyl-urea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% (w/v) PEG 4000, 0.1M sodium acetate, 0.28M ammonium sulfate
Resolution 2.57 Å R-free 0.247
21DH Crystal structure of MBP-fused Monobody P' in complex with HPPU Deposited 2025-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain F 31–392（362 aa）
Mutation：A324V A1MC1 1-(4-hydroxyphenyl)-3-phenyl-urea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% (w/v) PEG 4000, 0.1M sodium acetate, 0.28M ammonium sulfate
Resolution 2.57 Å R-free 0.247
2D21 NMR Structure of stereo-array isotope labelled (SAIL) maltodextrin-binding protein (MBP) Deposited 2005-09-02 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 27–396（370 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.2；310 K；Ionic strength (raw mmCIF value) 20mM sodium phosphate；Pressure AMBIENT
NMR sample composition 0.33mM SAIL-MBP, 3.3mM beta-cyclodextrin, 20mM sodium phosphate, 3mM NaN3, CompleteMini protease inhibitor mix | 90% H2O/10% D2O
Resolution not provided
2H25 Solution Structure of Maltose Binding Protein complexed with beta-cyclodextrin Deposited 2006-05-18 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 27–396（370 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；303 K；Ionic strength (raw mmCIF value) 20mM sodium phosphates；Pressure ambient
NMR sample composition 1.2mM MBP, PH 7; 10% D2O | 10% D2O
Resolution not provided
2KLF PERE NMR structure of maltodextrin-binding protein Deposited 2009-07-02 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 27–396（370 aa）
Mutation：I2T No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.2；310 K；Ionic strength (raw mmCIF value) 0.02；Pressure ambient
NMR sample composition 20mM potassium phosphate-1, 2mM beta-cyclodextrin-2, 3mM sodium azide-3, 100mM EDTA-4, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2MV0 Solution NMR Structure of Maltose-binding protein from Escherichia coli, Northeast Structural Genomics Consortium (NESG) Target ER690 Deposited 2014-09-18 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 27–396（370 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.2；310 K；Pressure ambient
NMR sample composition 1.05 mM ER690.005, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2N44 EC-NMR Structure of Escherichia coli Maltose-binding protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data. Northeast Structural Genomics Consortium target ER690 Deposited 2015-06-16 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 27–396（370 aa） Fragment：UNP residues 27-396
Not recorded No recorded non-water small molecule SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
2N45 EC-NMR Structure of Escherichia coli Maltose-binding protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data with a second set of RDC data simulated for an alternative alignment tensor. Northeast Structural Genomics Consortium target ER690 Deposited 2015-06-17 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 27–396（370 aa） Fragment：UNP RESIDUES 27-396
Not recorded No recorded non-water small molecule SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
2OBG Crystal Structure of Monobody MBP-74/Maltose Binding Protein Fusion Complex Deposited 2006-12-19 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 31–396（366 aa） Fragment：MBP (residues 5-370), MBP-74 (residues 1001-1093)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；292 K；20% PEG-1000, 0.1 M Na/K phosphate, 0.2 M NaCl, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K
Resolution 2.35 Å R-free 0.250
2OK2 MutS C-terminal domain fused to Maltose Binding Protein Deposited 2007-01-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 28–392（365 aa） Fragment：MBP/MutS C-terminal fusion
Chain B 28–392（365 aa） Fragment：MBP/MutS C-terminal fusion
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；15% PEG 4K, 100 mM sodium citrate, 100 mM lithium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.277
2R6G The Crystal Structure of the E. coli Maltose Transporter Deposited 2007-09-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 27–396（370 aa）
Not recorded ATP ADENOSINE-5'-TRIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；27% PEG 400, 500mM NaCl, 100mM Sodium Hepes pH 7.5, 10mM betaine hydrochloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.80 Å R-free 0.271
2ZXT Crystal structure of Tim40/MIA40, a disulfide relay system in mitochondria, solved as MBP fusion protein Deposited 2009-01-07 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：MBPTim40C4
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；100mM KOAc, 200 mM NH4OAc, 30 % PEG 4000, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.00 Å R-free 0.278
3A3C Crystal structure of TIM40/MIA40 fusing MBP, C296S and C298S mutant Deposited 2009-06-11 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–392（364 aa）
Mutation：C296S, C298S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；100mM K-acetate, 200 mM NH4-acetate, 30% PEG 4000, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.50 Å R-free 0.316
3C4M Structure of human parathyroid hormone in complex with the extracellular domain of its G-protein-coupled receptor (PTH1R) Deposited 2008-01-30 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 26–392（367 aa） Fragment：extracellular domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；30% PPG P400, 0.1 M NaCacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.95 Å R-free 0.227
3C4M Structure of human parathyroid hormone in complex with the extracellular domain of its G-protein-coupled receptor (PTH1R) Deposited 2008-01-30 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 26–392（367 aa） Fragment：extracellular domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；30% PPG P400, 0.1 M NaCacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.95 Å R-free 0.227
3CSB Crystal Structure of Monobody YSX1/Maltose Binding Protein Fusion Complex Deposited 2008-04-09 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 31–396（366 aa）
Not recorded MN MANGANESE (II) ION × 4 EDO 1,2-ETHANEDIOL × 2 PGE TRIETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 1PE PENTAETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 9 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；41% polyethelyeneglycol-400, 2% 2-methyl-2,4-pentanediol, 50 mM MnCl2, 0.1 M 2-(N-morpholino)ethanesulfonic acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.00 Å R-free 0.236
3CSG Crystal Structure of Monobody YS1(MBP-74)/Maltose Binding Protein Fusion Complex Deposited 2008-04-09 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 31–396（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；292 K；20% polyethyleneglycol-1000, 0.1 M Na/K phosphate, 0.2 M NaCl, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.80 Å R-free 0.235
3D4C ZP-N domain of mammalian sperm receptor ZP3 (crystal form I) Deposited 2008-05-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N CD CADMIUM ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M tris-HCL, PH7.2, 0.001M maltose. Reservoir: 1.0M sodium acetate, 0,1M sodium HEPES, PH7.5, 0.05M cadmium sulfate. Sample to reservoir ratio in drop: 1:1, pH7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.90 Å R-free 0.227
3D4G ZP-N domain of mammalian sperm receptor ZP3 (crystal form II) Deposited 2008-05-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M Tris-HCL, PH7.2, 0.001M maltose. Reservoir: 10% PEG6000, 0.2M calcium chloride, 0.1M Tris-HCL, PH7.0. Sample to reservoir ratio in drop: 1:1, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.30 Å R-free 0.227
3D4G ZP-N domain of mammalian sperm receptor ZP3 (crystal form II) Deposited 2008-05-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M Tris-HCL, PH7.2, 0.001M maltose. Reservoir: 10% PEG6000, 0.2M calcium chloride, 0.1M Tris-HCL, PH7.0. Sample to reservoir ratio in drop: 1:1, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.30 Å R-free 0.227
3D4G ZP-N domain of mammalian sperm receptor ZP3 (crystal form II) Deposited 2008-05-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M Tris-HCL, PH7.2, 0.001M maltose. Reservoir: 10% PEG6000, 0.2M calcium chloride, 0.1M Tris-HCL, PH7.0. Sample to reservoir ratio in drop: 1:1, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.30 Å R-free 0.227
3D4G ZP-N domain of mammalian sperm receptor ZP3 (crystal form II) Deposited 2008-05-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain D 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M Tris-HCL, PH7.2, 0.001M maltose. Reservoir: 10% PEG6000, 0.2M calcium chloride, 0.1M Tris-HCL, PH7.0. Sample to reservoir ratio in drop: 1:1, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.30 Å R-free 0.227
3D4G ZP-N domain of mammalian sperm receptor ZP3 (crystal form II) Deposited 2008-05-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain E 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M Tris-HCL, PH7.2, 0.001M maltose. Reservoir: 10% PEG6000, 0.2M calcium chloride, 0.1M Tris-HCL, PH7.0. Sample to reservoir ratio in drop: 1:1, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.30 Å R-free 0.227
3D4G ZP-N domain of mammalian sperm receptor ZP3 (crystal form II) Deposited 2008-05-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain F 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M Tris-HCL, PH7.2, 0.001M maltose. Reservoir: 10% PEG6000, 0.2M calcium chloride, 0.1M Tris-HCL, PH7.0. Sample to reservoir ratio in drop: 1:1, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.30 Å R-free 0.227
3D4G ZP-N domain of mammalian sperm receptor ZP3 (crystal form II) Deposited 2008-05-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 7 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain G 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M Tris-HCL, PH7.2, 0.001M maltose. Reservoir: 10% PEG6000, 0.2M calcium chloride, 0.1M Tris-HCL, PH7.0. Sample to reservoir ratio in drop: 1:1, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.30 Å R-free 0.227
3D4G ZP-N domain of mammalian sperm receptor ZP3 (crystal form II) Deposited 2008-05-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain H 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M Tris-HCL, PH7.2, 0.001M maltose. Reservoir: 10% PEG6000, 0.2M calcium chloride, 0.1M Tris-HCL, PH7.0. Sample to reservoir ratio in drop: 1:1, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.30 Å R-free 0.227
3DM0 Maltose Binding Protein fusion with RACK1 from A. thaliana Deposited 2008-06-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–387（361 aa） Fragment：Fusion protein of MBP (UNP residues 27 to 387 ) and RACK1 (UNP residues 4 to 327)
Mutation：D82A, K83A, K239A, E359A EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；278 K；100mM HEPES pH 7.5 20% w/v PEG 10,000, VAPOR DIFFUSION, SITTING DROP, temperature 278K
Resolution 2.40 Å R-free 0.250
3EF7 ZP-N domain of mammalian sperm receptor ZP3 (crystal form III) Deposited 2008-09-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N ZN ZINC ION × 5 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M Tris-HCL, PH7.2, 0.001M Maltose. Reservoir: 12% PEG6000, 0.15M calcium chloride, 0.0025M zinc chloride, 0.1M Tris-HCL, PH8.2. Sample to reservoir ratio in drop: 1:1, PH8.2, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293.0K, pH7.8
Resolution 3.10 Å R-free 0.256
3EF7 ZP-N domain of mammalian sperm receptor ZP3 (crystal form III) Deposited 2008-09-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N ZN ZINC ION × 8 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M Tris-HCL, PH7.2, 0.001M Maltose. Reservoir: 12% PEG6000, 0.15M calcium chloride, 0.0025M zinc chloride, 0.1M Tris-HCL, PH8.2. Sample to reservoir ratio in drop: 1:1, PH8.2, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293.0K, pH7.8
Resolution 3.10 Å R-free 0.256
3EF7 ZP-N domain of mammalian sperm receptor ZP3 (crystal form III) Deposited 2008-09-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Chain B 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N Mutation：I3T, E360A, K363A, D364A, R368N ZN ZINC ION × 26 CA CALCIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M Tris-HCL, PH7.2, 0.001M Maltose. Reservoir: 12% PEG6000, 0.15M calcium chloride, 0.0025M zinc chloride, 0.1M Tris-HCL, PH8.2. Sample to reservoir ratio in drop: 1:1, PH8.2, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293.0K, pH7.8
Resolution 3.10 Å R-free 0.256
3EHS Crystal structure of the extracellular domain of human corticotropin releasing factor receptor type 1 (CRFR1) Deposited 2008-09-14 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–392（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4.7；293 K；NaCl, sucrose, sodium acetate, pH 4.7, vapor diffusion, temperature 293K
Resolution 2.76 Å R-free 0.240
3EHT Crystal structure of the extracellular domain of human corticotropin releasing factor receptor type 1 (CRFR1) in complex with CRF Deposited 2008-09-14 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 26–392（367 aa）
Mutation：F(-257)E No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.25；293 K；PEG 3350, Lithium sulfate, Bis-Tris, pH 6.25, VAPOR DIFFUSION, temperature 293K
Resolution 3.40 Å R-free 0.252
3EHU Crystal structure of the extracellular domain of human corticotropin releasing factor receptor type 1 (CRFR1) in complex with CRF Deposited 2008-09-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 26–392（367 aa）
Mutation：A(-25)E CA CALCIUM ION × 1 BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.75；293 K；PEG MME 550, calcium chloride, tert-butanol, Bis-Tris, pH 6.75, VAPOR DIFFUSION, temperature 293K
Resolution 1.96 Å R-free 0.256
3EHU Crystal structure of the extracellular domain of human corticotropin releasing factor receptor type 1 (CRFR1) in complex with CRF Deposited 2008-09-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 26–392（367 aa）
Mutation：A(-25)E CA CALCIUM ION × 1 BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.75；293 K；PEG MME 550, calcium chloride, tert-butanol, Bis-Tris, pH 6.75, VAPOR DIFFUSION, temperature 293K
Resolution 1.96 Å R-free 0.256
3F5F Crystal structure of heparan sulfate 2-O-sulfotransferase from gallus gallus as a maltose binding protein fusion. Deposited 2008-11-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–387（361 aa） Fragment：P0AEX9 residues 27-392, Q76KB1 residues 69-356
Mutation：E359A A3P ADENOSINE-3'-5'-DIPHOSPHATE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；Ammonium Citrate, Bis-tris-propane, Phenol, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.65 Å R-free 0.243
3G7V Islet Amyloid Polypeptide (IAPP or Amylin) fused to Maltose Binding Protein Deposited 2009-02-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded SO4 SULFATE ION × 7 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；2.0 M Ammonium Sulfate, 0.1M Sodium Acetate pH 4.6, vapor diffusion, hanging drop, temperature 298K
Resolution 1.86 Å R-free 0.205
3G7V Islet Amyloid Polypeptide (IAPP or Amylin) fused to Maltose Binding Protein Deposited 2009-02-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded SO4 SULFATE ION × 8 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；2.0 M Ammonium Sulfate, 0.1M Sodium Acetate pH 4.6, vapor diffusion, hanging drop, temperature 298K
Resolution 1.86 Å R-free 0.205
3G7W Islet Amyloid Polypeptide (IAPP or Amylin) Residues 1 to 22 fused to Maltose Binding Protein Deposited 2009-02-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded SO4 SULFATE ION × 20 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；2.0 M Ammonium Sulfate, 0.1M Sodium Acetate pH 4.6, vapor diffusion, hanging drop, temperature 298K
Resolution 1.75 Å R-free 0.194
3G7W Islet Amyloid Polypeptide (IAPP or Amylin) Residues 1 to 22 fused to Maltose Binding Protein Deposited 2009-02-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Not recorded SO4 SULFATE ION × 40 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；2.0 M Ammonium Sulfate, 0.1M Sodium Acetate pH 4.6, vapor diffusion, hanging drop, temperature 298K
Resolution 1.75 Å R-free 0.194
3H3G Crystal structure of the extracellular domain of the human parathyroid hormone receptor (PTH1R) in complex with parathyroid hormone-related protein (PTHrP) Deposited 2009-04-16 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 26–392（367 aa） Fragment：extracellular domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；7.5% PEG 2000, 13% PEG 400, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 1.94 Å R-free 0.233
3H4Z Crystal Structure of an MBP-Der p 7 fusion protein Deposited 2009-04-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–387（361 aa）
Not recorded NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；85mM Lithium sulfate, 42mM Tris pH 8.5, 12.75% PEG4K, 7.5% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.35 Å R-free 0.293
3H4Z Crystal Structure of an MBP-Der p 7 fusion protein Deposited 2009-04-21 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–387（361 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；85mM Lithium sulfate, 42mM Tris pH 8.5, 12.75% PEG4K, 7.5% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.35 Å R-free 0.293
3H4Z Crystal Structure of an MBP-Der p 7 fusion protein Deposited 2009-04-21 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–387（361 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；85mM Lithium sulfate, 42mM Tris pH 8.5, 12.75% PEG4K, 7.5% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.35 Å R-free 0.293
3HPI Crystal structure of maltose-binding protein mutant with bound sucrose Deposited 2009-06-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–396（370 aa）
Mutation：D14L, K15F, W62Y, E111Y ZN ZINC ION × 2 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.2；289 K；PEG MME 5000, Sodium acetate, Sucrose, Magnesium chloride, Zinc chloride, pH 6.2, VAPOR DIFFUSION, temperature 289K
Resolution 2.00 Å R-free 0.284
3HPI Crystal structure of maltose-binding protein mutant with bound sucrose Deposited 2009-06-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–396（370 aa）
Mutation：D14L, K15F, W62Y, E111Y ZN ZINC ION × 4 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.2；289 K；PEG MME 5000, Sodium acetate, Sucrose, Magnesium chloride, Zinc chloride, pH 6.2, VAPOR DIFFUSION, temperature 289K
Resolution 2.00 Å R-free 0.284
3HST N-Terminal RNASE H domain of rv2228c from mycobacterium tuberculosis as a fusion protein with maltose binding protein Deposited 2009-06-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；20% PEG2000, 0.2M Ammounium tartrate, pH pH7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.25 Å R-free 0.239
3HST N-Terminal RNASE H domain of rv2228c from mycobacterium tuberculosis as a fusion protein with maltose binding protein Deposited 2009-06-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–392（366 aa）
Not recorded EDO 1,2-ETHANEDIOL × 2 TAR D(-)-TARTARIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；20% PEG2000, 0.2M Ammounium tartrate, pH pH7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.25 Å R-free 0.239
3IOR Huntingtin amino-terminal region with 17 Gln residues - crystal C95 Deposited 2009-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–384（358 aa） Fragment：Fusion protein, see remark 999
Chain B 27–384（358 aa） Fragment：Fusion protein, see remark 999
Chain C 27–384（358 aa） Fragment：Fusion protein, see remark 999
Not recorded ZN ZINC ION × 6 CA CALCIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；12% PEG 4000, 200 mM Zn acetate, 200 mM Sodium acetate, 100 mM Sodium Cacodylate pH 6.5-7.4 , VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 3.60 Å R-free 0.267
3IOT Huntingtin amino-terminal region with 17 Gln residues - crystal C92-b Deposited 2009-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Chain B 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Chain C 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Not recorded ZN ZINC ION × 9 CA CALCIUM ION × 9 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；12% PEG 4000, 200 mM Zn acetate, 200 mM Sodium acetate, 100 mM Sodium Cacodylate pH 6.5-7.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 3.50 Å R-free 0.295
3IOU Huntingtin amino-terminal region with 17 Gln residues - crystal C94 Deposited 2009-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Chain B 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Chain C 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Not recorded ZN ZINC ION × 8 CA CALCIUM ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；12% PEG 4000, 200 mM Zn acetate, 200 mM Sodium acetate, 100 mM Sodium Cacodylate pH 6.5-7.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 3.70 Å R-free 0.299
3IOV Huntingtin amino-terminal region with 17 Gln residues - crystal C99 Deposited 2009-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Chain B 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Chain C 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Not recorded ZN ZINC ION × 6 CA CALCIUM ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；12% PEG 4000, 200 mM Zn acetate, 200 mM Sodium acetate, 100 mM Sodium Cacodylate pH 6.5-7.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 3.70 Å R-free 0.280
3IOW Huntingtin amino-terminal region with 17 Gln residues - crystal C99-Hg Deposited 2009-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Chain B 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Chain C 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Not recorded ZN ZINC ION × 7 CA CALCIUM ION × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；12% PEG 4000, 200 mM Zn acetate, 200 mM Sodium acetate, 100 mM Sodium Cacodylate pH 6.5-7.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 3.50 Å R-free 0.281
3J9P Structure of the TRPA1 ion channel determined by electron cryo-microscopy Deposited 2015-02-14 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa） Fragment：SEE REMARK 999
Chain B 27–392（366 aa） Fragment：SEE REMARK 999
Chain C 27–392（366 aa） Fragment：SEE REMARK 999
Chain D 27–392（366 aa） Fragment：SEE REMARK 999
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer 20 mM HEPES, 150 mM NaCl, 1 mM DTT, 1 mM IP6；pH 8；20 mM HEPES, 150 mM NaCl, 1 mM DTT, 1 mM IP6
cryo-EM vitrification conditions Blot for 7 seconds before plunging.；120 K；Cryogen ETHANE；Blot for 7 seconds before plunging into liquid ethane (FEI VITROBOT MARK I).
Resolution 4.24 Å
3KJT Stimulation of the maltose transporter by a mutant sucrose binding protein gives insights into ABC transporter coupling Deposited 2009-11-03 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 27–396（370 aa） Fragment：UNP residues 27-396
Mutation：D14L, K15F, W62Y, E111Y No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；289 K；PEG MME 5000, 0.1M Sodium acetate, 60mM MgCl2, 10mM ZnCl2, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K
Resolution 1.50 Å R-free 0.242
3L2J Dimeric structure of the ligand-free extracellular domain of the human parathyroid hormone receptor (PTH1R) Deposited 2009-12-15 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 29–392（364 aa）
Chain B 29–392（364 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；ammonium sulfate, HEPES, sodium acetate, PEG400, cadaverine dihydrochloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.24 Å R-free 0.258
3LBS Crystal structure of the cytoplasmic tail of (pro)renin receptor as a MBP fusion (Maltose-bound form) Deposited 2010-01-08 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 29–390（362 aa） Fragment：Maltose-binding periplasmic protein, residues 29-390, Renin receptor, residues 332-350
Chain B 29–390（362 aa） Fragment：Maltose-binding periplasmic protein, residues 29-390, Renin receptor, residues 332-350
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；293 K；28% PEG4000, 0.2M Magnesium Chloride, 0.1 M Cacodylate, pH 6.5, EVAPORATION, temperature 293K
Resolution 2.15 Å R-free 0.278
3LC8 Crystal structure of the cytoplasmic tail of (pro)renin receptor as a MBP fusion (Maltose-free form) Deposited 2010-01-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 29–390（362 aa） Fragment：Maltose-binding periplasmic protein, residues 29-390, Renin receptor, residues 332-350
Chain B 29–390（362 aa） Fragment：Maltose-binding periplasmic protein, residues 29-390, Renin receptor, residues 332-350
Not recorded PG4 TETRAETHYLENE GLYCOL × 2 GOL GLYCEROL × 3 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8.5；293 K；20% PEG 4000, 0.2M Magnesium Chloride, 0.1M Tris, pH 8.5, EVAPORATION, temperature 293K
Resolution 2.00 Å R-free 0.257
3MP1 Complex structure of Sgf29 and trimethylated H3K4 Deposited 2010-04-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–387（361 aa）
Not recorded ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；281 K；25% PEG3350, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 281K
Resolution 2.60 Å R-free 0.260
3MP6 Complex Structure of Sgf29 and dimethylated H3K4 Deposited 2010-04-25 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–387（361 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；281 K；25% PEG3350, 0.1M sodium acetate, pH 4.5, vapor diffusion, hanging drop, temperature 281K
Resolution 1.48 Å R-free 0.205
3MP8 Crystal structure of Sgf29 tudor domain Deposited 2010-04-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–387（361 aa）
Not recorded GOL GLYCEROL × 9 SO4 SULFATE ION × 6 NA SODIUM ION × 5 ACY ACETIC ACID × 3 4BZ 4-(HYDROXYMETHYL)BENZAMIDINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；281 K；2.0M ammonium sulfate, 0.1M sodium acetate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 281K
Resolution 1.92 Å R-free 0.216
3MQ9 Crystal Structure of Ectodomain Mutant of BST-2/Tetherin/CD317 Fused to MBP Deposited 2010-04-27 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–395（369 aa） Fragment：MBP residues 27-395 fused to BST-2 residues 66-139
Chain B 27–395（369 aa） Fragment：MBP residues 27-395 fused to BST-2 residues 66-139
Chain C 27–395（369 aa） Fragment：MBP residues 27-395 fused to BST-2 residues 66-139
Chain D 27–395（369 aa） Fragment：MBP residues 27-395 fused to BST-2 residues 66-139
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 5；298 K；Crystals were grown at 25C by using microbatch under oil by mixing protein with crystallization buffer containing 100 mM sodium acetate (pH 5.0), 200 mM NaCl, 20% PEG 6000. Micro batch under oil, pH 5.0, EVAPORATION, temperature 298.0K
Resolution 2.80 Å R-free 0.279
3MQ9 Crystal Structure of Ectodomain Mutant of BST-2/Tetherin/CD317 Fused to MBP Deposited 2010-04-27 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain E 27–395（369 aa） Fragment：MBP residues 27-395 fused to BST-2 residues 66-139
Chain F 27–395（369 aa） Fragment：MBP residues 27-395 fused to BST-2 residues 66-139
Chain G 27–395（369 aa） Fragment：MBP residues 27-395 fused to BST-2 residues 66-139
Chain H 27–395（369 aa） Fragment：MBP residues 27-395 fused to BST-2 residues 66-139
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 5；298 K；Crystals were grown at 25C by using microbatch under oil by mixing protein with crystallization buffer containing 100 mM sodium acetate (pH 5.0), 200 mM NaCl, 20% PEG 6000. Micro batch under oil, pH 5.0, EVAPORATION, temperature 298.0K
Resolution 2.80 Å R-free 0.279
3N94 Crystal structure of human pituitary adenylate cyclase 1 Receptor-short N-terminal extracellular domain Deposited 2010-05-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–392（367 aa） Fragment：UNP 26-119
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293.15 K；25.5% PEG 4000, 15% Glycerol, 170mM Ammonium sulphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
Resolution 1.80 Å R-free 0.216
3O3U Crystal Structure of Human Receptor for Advanced Glycation Endproducts (RAGE) Deposited 2010-07-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain N 28–384（357 aa） Fragment：MBP: UNP residues 28-384, RAGE: UNP residues 23-231
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；200 mM Li sulfate, 100 mM Tris-HCl, pH 7.5 and 10% (w/v) polyethylene glycol 4,000 , VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.50 Å R-free 0.184
3PGF Crystal structure of maltose bound MBP with a conformationally specific synthetic antigen binder (sAB) Deposited 2010-11-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 27–393（367 aa）
Mutation：r367n delta (368-370) IMD IMIDAZOLE × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；292 K；19% PEG 3400, 8% Tacsimate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.10 Å R-free 0.227
3PUV Crystal Structure of an outward-facing MBP-Maltose transporter complex bound to ADP-VO4 Deposited 2010-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 27–396（370 aa） Fragment：unp residues 27-396
Not recorded PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 10 UMQ UNDECYL-MALTOSIDE × 1 MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 VO4 VANADATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；27% PEG 400, 0.1M HEPES, 10 mM magnesium chloride, 50 mM sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 7.5
Resolution 2.40 Å R-free 0.253
3PUW Crystal Structure of an outward-facing MBP-Maltose transporter complex bound to ADP-AlF4 Deposited 2010-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 27–396（370 aa） Fragment：unp residues 27-396
Not recorded PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 10 UMQ UNDECYL-MALTOSIDE × 1 MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ALF TETRAFLUOROALUMINATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；27 % PEG 400, 0.1 M HEPES, 10 mM magnesium chloride, 50 mM sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 7.5
Resolution 2.30 Å R-free 0.255
3PUX Crystal Structure of an outward-facing MBP-Maltose transporter complex bound to ADP-BeF3 Deposited 2010-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 27–396（370 aa） Fragment：unp residues 27-396
Not recorded UMQ UNDECYL-MALTOSIDE × 1 PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 10 MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 BEF BERYLLIUM TRIFLUORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；293 K；27% PEG 400, 0.1 M HEPES, 10 mM magnesium chloride, 50 mM sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 7.5
Resolution 2.30 Å R-free 0.265
3PY7 Crystal structure of full-length Bovine Papillomavirus oncoprotein E6 in complex with LD1 motif of paxillin at 2.3A resolution Deposited 2010-12-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：D108A,K109A,K265A,E385A,K388A,D389A (maltose-binding periplasmic protein) ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；290 K；1.6 M ammonium sulfate, 2% PEG2000 MME 0.1 M HEPES sodium, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K
Resolution 2.29 Å R-free 0.225
3Q25 Crystal structure of human alpha-synuclein (1-19) fused to maltose binding protein (MBP) Deposited 2010-12-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded SO4 SULFATE ION × 10 GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；2.2 M AMMONIUM SULFATE, 20% (w/v) GLYCEROL, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.90 Å R-free 0.196
3Q25 Crystal structure of human alpha-synuclein (1-19) fused to maltose binding protein (MBP) Deposited 2010-12-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Not recorded SO4 SULFATE ION × 20 GOL GLYCEROL × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；2.2 M AMMONIUM SULFATE, 20% (w/v) GLYCEROL, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.90 Å R-free 0.196
3Q26 Cyrstal structure of human alpha-synuclein (10-42) fused to maltose binding protein (MBP) Deposited 2010-12-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded GOL GLYCEROL × 6 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.2M tri-lithium citrate, 2.2 M ammonium sulfate, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.54 Å R-free 0.183
3Q27 Cyrstal structure of human alpha-synuclein (32-57) fused to maltose binding protein (MBP) Deposited 2010-12-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded SO4 SULFATE ION × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；290 K；0.1M bicine pH 9.0, 2.4 M ammonium sulfate, vapor diffusion, hanging drop, temperature 290K
Resolution 1.30 Å R-free 0.156
3Q28 Cyrstal structure of human alpha-synuclein (58-79) fused to maltose binding protein (MBP) Deposited 2010-12-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；290 K；0.1M BICINE pH 9.0, 3.2 M AMMONIUM SULFATE, vapor diffusion, hanging drop, temperature 290K
Resolution 1.60 Å R-free 0.173
3Q29 Cyrstal structure of human alpha-synuclein (1-19) fused to maltose binding protein (MBP) Deposited 2010-12-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain C 27–392（366 aa）
Not recorded GOL GLYCEROL × 4 SO4 SULFATE ION × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M TRIS pH 8.0, 2.4 M AMMONIUM SULFATE, vapor diffusion, hanging drop, temperature 290K
Resolution 2.30 Å R-free 0.232
3Q29 Cyrstal structure of human alpha-synuclein (1-19) fused to maltose binding protein (MBP) Deposited 2010-12-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain C 27–392（366 aa）
Not recorded GOL GLYCEROL × 4 SO4 SULFATE ION × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M TRIS pH 8.0, 2.4 M AMMONIUM SULFATE, vapor diffusion, hanging drop, temperature 290K
Resolution 2.30 Å R-free 0.232
3RLF Crystal structure of the maltose-binding protein/maltose transporter complex in an outward-facing conformation bound to MgAMPPNP Deposited 2011-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 27–396（370 aa）
Not recorded UMQ UNDECYL-MALTOSIDE × 1 PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 4 MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；28% PEG 4000, 0.1M sodium hepes pH 7.5, 0.2M sodium chloride, 0.05M magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.20 Å R-free 0.254
3RUM New strategy to analyze structures of glycopeptide antibiotic-target complexes Deposited 2011-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 27–392（366 aa） Fragment：UNP RESIDUES 27-392
Non-standard monomer：Yes (specific site not provided by mmCIF) IPA ISOPROPYL ALCOHOL × 3 SO4 SULFATE ION × 4 RST 3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose × 2 MAN alpha-D-mannopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；5% isopropanol, 2M ammonium sulfate, vapor diffusion, sitting drop, temperature 291K
Resolution 1.85 Å R-free 0.219
3SER Zn-mediated Polymer of Maltose-binding Protein K26H/K30H by Synthetic Symmetrization Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa）
Mutation：K26H, K30H CL CHLORIDE ION × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M MES, 0.2M CALCIUM ACETATE, 20% (W/V) PEG 8000, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 2.35 Å R-free 0.222
3SER Zn-mediated Polymer of Maltose-binding Protein K26H/K30H by Synthetic Symmetrization Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–384（358 aa）
Mutation：K26H, K30H CL CHLORIDE ION × 2 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M MES, 0.2M CALCIUM ACETATE, 20% (W/V) PEG 8000, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 2.35 Å R-free 0.222
3SES Cu-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–384（358 aa）
Chain C 27–384（358 aa）
Mutation：A216H, K220H Mutation：A216H, K220H CU COPPER (II) ION × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M TRIS, 0.2M MAGNESIUM CHLORIDE, 20% (W/V) PEG 8000, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.90 Å R-free 0.205
3SES Cu-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa）
Mutation：A216H, K220H CU COPPER (II) ION × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M TRIS, 0.2M MAGNESIUM CHLORIDE, 20% (W/V) PEG 8000, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.90 Å R-free 0.205
3SES Cu-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–384（358 aa）
Mutation：A216H, K220H No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M TRIS, 0.2M MAGNESIUM CHLORIDE, 20% (W/V) PEG 8000, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.90 Å R-free 0.205
3SET Ni-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form I) Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–384（358 aa）
Chain C 27–384（358 aa）
Mutation：A216H, K220H Mutation：A216H, K220H NI NICKEL (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M TRIS, 25% (W/V) PEG 3350, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.90 Å R-free 0.282
3SET Ni-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form I) Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa）
Mutation：A216H, K220H NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M TRIS, 25% (W/V) PEG 3350, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.90 Å R-free 0.282
3SET Ni-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form I) Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–384（358 aa）
Mutation：A216H, K220H NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M TRIS, 25% (W/V) PEG 3350, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.90 Å R-free 0.282
3SEU Zn-mediated Polymer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form III) Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa）
Mutation：A216H, K220H ZN ZINC ION × 8 ACT ACETATE ION × 6 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M IMIDAZOLE, 0.2M ZINC ACETATE, 20% (W/V) PEG 3000, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.85 Å R-free 0.191
3SEV Zn-mediated Trimer of Maltose-binding Protein E310H/K314H by Synthetic Symmetrization Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–384（358 aa）
Chain C 27–384（358 aa）
Chain E 27–384（358 aa）
Mutation：E310H, K314H Mutation：E310H, K314H Mutation：E310H, K314H ZN ZINC ION × 3 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M HEPES, 2.4M AMMONIUM SULFATE, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 3.05 Å R-free 0.263
3SEW Zn-mediated Polymer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form I) Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa）
Mutation：A216H, K220H ZN ZINC ION × 1 CL CHLORIDE ION × 4 GOL GLYCEROL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M TRIS, 0.2M SODIUM CHLORIDE, 30% (W/V) PEG 3000, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.55 Å R-free 0.188
3SEX Ni-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form II) Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–384（358 aa）
Chain C 27–384（358 aa）
Mutation：A216H, K220H Mutation：A216H, K220H IOD IODIDE ION × 26 NI NICKEL (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.2M SODIUM IODIDE, 2.2M AMMONIUM SULFATE, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.95 Å R-free 0.238
3SEY Zn-mediated Polymer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form II) Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–384（358 aa）
Mutation：A216H, K220H ZN ZINC ION × 20 ACT ACETATE ION × 6 GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M MES, 0.2M ZINC ACETATE, 10% (W/V) PEG 8000, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.85 Å R-free 0.247
3SEY Zn-mediated Polymer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form II) Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 27–384（358 aa）
Chain E 27–384（358 aa）
Mutation：A216H, K220H Mutation：A216H, K220H ZN ZINC ION × 13 ACT ACETATE ION × 5 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M MES, 0.2M ZINC ACETATE, 10% (W/V) PEG 8000, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.85 Å R-free 0.247
3VFJ The structure of monodechloro-teicoplanin in complex with its ligand, using MBP as a ligand carrier Deposited 2012-01-09 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 27–392（366 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 8 ACT ACETATE ION × 2 CAC CACODYLATE ION × 2 GCS 2-amino-2-deoxy-beta-D-glucopyranose × 1 T55 8-METHYLNONANOIC ACID × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 MAN alpha-D-mannopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.2 M zinc acetate, 0.1 M sodium cacodylate 6.5, 16% PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.05 Å R-free 0.231
3W15 Structure of peroxisomal targeting signal 2 (PTS2) of Saccharomyces cerevisiae 3-ketoacyl-CoA thiolase in complex with Pex7p and Pex21p Deposited 2012-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 27–396（370 aa） Fragment：UNP residue 1-15, UNP residues 27-396
Not recorded NO3 NITRATE ION × 9 MG MAGNESIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；293 K；25% PEG2000, 0.3M Magnesium nitrate, 0.1M Tris-HCl, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.224
3WAI Crystal structure of the C-terminal globular domain of oligosaccharyltransferase (AfAglB-L, O29867_ARCFU) from Archaeoglobus fulgidus as a MBP fusion Deposited 2013-05-03 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：UNP residues of MBP 27-392, C-terminal globular domain residues 500-868
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.4；293 K；0.1M CAPSO, 33% PEG 3350, pH 9.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.90 Å R-free 0.202
3WOA Crystal structure of lambda repressor (1-45) fused with maltose-binding protein Deposited 2013-12-25 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa）
Mutation：N416R No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；1.6M DL-Malic acid, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.00 Å R-free 0.194
4B3N Crystal structure of rhesus TRIM5alpha PRY/SPRY domain Deposited 2012-07-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–395（369 aa） Fragment：MBP RESIDUES 27-395, TRIM5ALPHA PRY/SPRY DOMAIN RESIDUES 275-493
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.2；6% (W/V) GLUCOSE, 6% (W/V) TREHALOSE, 100 MM MES PH 6.2 AND 25% PEG 3350
Resolution 3.30 Å R-free 0.248
4B3N Crystal structure of rhesus TRIM5alpha PRY/SPRY domain Deposited 2012-07-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–395（369 aa） Fragment：MBP RESIDUES 27-395, TRIM5ALPHA PRY/SPRY DOMAIN RESIDUES 275-493
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.2；6% (W/V) GLUCOSE, 6% (W/V) TREHALOSE, 100 MM MES PH 6.2 AND 25% PEG 3350
Resolution 3.30 Å R-free 0.248
4BL8 Crystal structure of full-length human Suppressor of fused (SUFU) Deposited 2013-05-02 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa） Fragment：MBPP RESIDUES 29-387,SUFUH RESIDUES 32-278,361-483
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；PROTEIN (12 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS CRYSTALLISED AT 4OC BY HANGING DROP VAPOUR DIFFUSION WITH 0.2 M K/NA TARTRATE, 0.1 M BIS-TRIS PROPANE PH 8.5 AND 16% (V/V) PEG 3350 (AT A PROTEIN:MOTHER LIQUOR RATIO OF 2:1)
Resolution 3.04 Å R-free 0.246
4BL8 Crystal structure of full-length human Suppressor of fused (SUFU) Deposited 2013-05-02 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–393（367 aa） Fragment：MBPP RESIDUES 29-387,SUFUH RESIDUES 32-278,361-483
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；PROTEIN (12 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS CRYSTALLISED AT 4OC BY HANGING DROP VAPOUR DIFFUSION WITH 0.2 M K/NA TARTRATE, 0.1 M BIS-TRIS PROPANE PH 8.5 AND 16% (V/V) PEG 3350 (AT A PROTEIN:MOTHER LIQUOR RATIO OF 2:1)
Resolution 3.04 Å R-free 0.246
4BL9 Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form I) Deposited 2013-05-02 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa） Fragment：MBPP RESIDUES 29-387,SUFUH RESIDUES 32-278,361-483
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；277 K；PROTEIN (6.5 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS CRYSTALLISED AT 4C BY HANGING DROP VAPOUR DIFFUSION WITH 0.08 M NA-CACODYLATE (PH 6.6), 20% (V/V) GLYCEROL, 160 MM CA(OAC)2 AND 9% (V/V) PEG 8000
Resolution 2.80 Å R-free 0.234
4BL9 Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form I) Deposited 2013-05-02 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–393（367 aa） Fragment：MBPP RESIDUES 29-387,SUFUH RESIDUES 32-278,361-483
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；277 K；PROTEIN (6.5 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS CRYSTALLISED AT 4C BY HANGING DROP VAPOUR DIFFUSION WITH 0.08 M NA-CACODYLATE (PH 6.6), 20% (V/V) GLYCEROL, 160 MM CA(OAC)2 AND 9% (V/V) PEG 8000
Resolution 2.80 Å R-free 0.234
4BL9 Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form I) Deposited 2013-05-02 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–393（367 aa） Fragment：MBPP RESIDUES 29-387,SUFUH RESIDUES 32-278,361-483
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；277 K；PROTEIN (6.5 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS CRYSTALLISED AT 4C BY HANGING DROP VAPOUR DIFFUSION WITH 0.08 M NA-CACODYLATE (PH 6.6), 20% (V/V) GLYCEROL, 160 MM CA(OAC)2 AND 9% (V/V) PEG 8000
Resolution 2.80 Å R-free 0.234
4BL9 Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form I) Deposited 2013-05-02 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain D 27–393（367 aa） Fragment：MBPP RESIDUES 29-387,SUFUH RESIDUES 32-278,361-483
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；277 K；PROTEIN (6.5 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS CRYSTALLISED AT 4C BY HANGING DROP VAPOUR DIFFUSION WITH 0.08 M NA-CACODYLATE (PH 6.6), 20% (V/V) GLYCEROL, 160 MM CA(OAC)2 AND 9% (V/V) PEG 8000
Resolution 2.80 Å R-free 0.234
4BLA Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form II) Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa） Fragment：MBPP RESIDUES 29-387,SUFUH RESIDUES 32-278,361-483
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (11.6 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT) WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 0.1 M NA-HEPES PH 7.5, 17% (V/V) PEG 3350, 0.2 M NACL.
Resolution 3.50 Å R-free 0.293
4BLA Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form II) Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–393（367 aa） Fragment：MBPP RESIDUES 29-387,SUFUH RESIDUES 32-278,361-483
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (11.6 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT) WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 0.1 M NA-HEPES PH 7.5, 17% (V/V) PEG 3350, 0.2 M NACL.
Resolution 3.50 Å R-free 0.293
4BLA Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form II) Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–393（367 aa） Fragment：MBPP RESIDUES 29-387,SUFUH RESIDUES 32-278,361-483
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (11.6 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT) WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 0.1 M NA-HEPES PH 7.5, 17% (V/V) PEG 3350, 0.2 M NACL.
Resolution 3.50 Å R-free 0.293
4BLA Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form II) Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain not uniquely mapped Reference range not declared Fragment：MBPP RESIDUES 29-387,SUFUH RESIDUES 32-278,361-483
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (11.6 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT) WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 0.1 M NA-HEPES PH 7.5, 17% (V/V) PEG 3350, 0.2 M NACL.
Resolution 3.50 Å R-free 0.293
4BLB Crystal structure of a human Suppressor of fused (SUFU)-GLI1p complex Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 27–393（367 aa） Fragment：MBPP RESIDUES 29-392,SUFUH RESIDUES 32-278,361-483
Mutation：YES ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (10 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS MIXED IN A 1:1 MOLAR RATIO WITH ZN(OAC)2 AND A 1:4 MOLAR RATIO WITH GLI1 PEPTIDE. THE COMPLEX WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 1:1 OR 2:1 DROPS OF PROTEIN:WELL SOLUTION (14-18% (V/V) PEG 3350, AND 0.2 M NA FORMATE)
Resolution 2.80 Å R-free 0.234
4BLB Crystal structure of a human Suppressor of fused (SUFU)-GLI1p complex Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–393（367 aa） Fragment：MBPP RESIDUES 29-392,SUFUH RESIDUES 32-278,361-483
Mutation：YES ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (10 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS MIXED IN A 1:1 MOLAR RATIO WITH ZN(OAC)2 AND A 1:4 MOLAR RATIO WITH GLI1 PEPTIDE. THE COMPLEX WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 1:1 OR 2:1 DROPS OF PROTEIN:WELL SOLUTION (14-18% (V/V) PEG 3350, AND 0.2 M NA FORMATE)
Resolution 2.80 Å R-free 0.234
4BLB Crystal structure of a human Suppressor of fused (SUFU)-GLI1p complex Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 27–393（367 aa） Fragment：MBPP RESIDUES 29-392,SUFUH RESIDUES 32-278,361-483
Mutation：YES ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (10 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS MIXED IN A 1:1 MOLAR RATIO WITH ZN(OAC)2 AND A 1:4 MOLAR RATIO WITH GLI1 PEPTIDE. THE COMPLEX WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 1:1 OR 2:1 DROPS OF PROTEIN:WELL SOLUTION (14-18% (V/V) PEG 3350, AND 0.2 M NA FORMATE)
Resolution 2.80 Å R-free 0.234
4BLB Crystal structure of a human Suppressor of fused (SUFU)-GLI1p complex Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–396（370 aa） Fragment：MBPP RESIDUES 29-392,SUFUH RESIDUES 32-278,361-483
Mutation：YES ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (10 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS MIXED IN A 1:1 MOLAR RATIO WITH ZN(OAC)2 AND A 1:4 MOLAR RATIO WITH GLI1 PEPTIDE. THE COMPLEX WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 1:1 OR 2:1 DROPS OF PROTEIN:WELL SOLUTION (14-18% (V/V) PEG 3350, AND 0.2 M NA FORMATE)
Resolution 2.80 Å R-free 0.234
4BLD Crystal structure of a human Suppressor of fused (SUFU)-GLI3p complex Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–393（367 aa） Fragment：MBPP RESIDUES 29-392,SUFUH RESIDUES 32-278,361-483
Mutation：YES ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (10 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS MIXED IN A 1:1 MOLAR RATIO WITH ZN(OAC)2 AND A 1:4 MOLAR RATIO WITH GLI3 PEPTIDE. THE COMPLEX WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 1:1 OR 2:1 DROPS OF PROTEIN:WELL SOLUTION (14-18% (V/V) PEG 3350 AND 0.2 M NA FORMATE)
Resolution 2.80 Å R-free 0.234
4BLD Crystal structure of a human Suppressor of fused (SUFU)-GLI3p complex Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 27–393（367 aa） Fragment：MBPP RESIDUES 29-392,SUFUH RESIDUES 32-278,361-483
Mutation：YES ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (10 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS MIXED IN A 1:1 MOLAR RATIO WITH ZN(OAC)2 AND A 1:4 MOLAR RATIO WITH GLI3 PEPTIDE. THE COMPLEX WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 1:1 OR 2:1 DROPS OF PROTEIN:WELL SOLUTION (14-18% (V/V) PEG 3350 AND 0.2 M NA FORMATE)
Resolution 2.80 Å R-free 0.234
4BLD Crystal structure of a human Suppressor of fused (SUFU)-GLI3p complex Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–393（367 aa） Fragment：MBPP RESIDUES 29-392,SUFUH RESIDUES 32-278,361-483
Mutation：YES ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (10 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS MIXED IN A 1:1 MOLAR RATIO WITH ZN(OAC)2 AND A 1:4 MOLAR RATIO WITH GLI3 PEPTIDE. THE COMPLEX WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 1:1 OR 2:1 DROPS OF PROTEIN:WELL SOLUTION (14-18% (V/V) PEG 3350 AND 0.2 M NA FORMATE)
Resolution 2.80 Å R-free 0.234
4BLD Crystal structure of a human Suppressor of fused (SUFU)-GLI3p complex Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 27–393（367 aa） Fragment：MBPP RESIDUES 29-392,SUFUH RESIDUES 32-278,361-483
Mutation：YES ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (10 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS MIXED IN A 1:1 MOLAR RATIO WITH ZN(OAC)2 AND A 1:4 MOLAR RATIO WITH GLI3 PEPTIDE. THE COMPLEX WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 1:1 OR 2:1 DROPS OF PROTEIN:WELL SOLUTION (14-18% (V/V) PEG 3350 AND 0.2 M NA FORMATE)
Resolution 2.80 Å R-free 0.234
4DXB 2.29A structure of the engineered MBP TEM-1 fusion protein RG13 in complex with zinc, P1 space group Deposited 2012-02-27 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 27–342（316 aa） Fragment：SEE REMARK 999
Chain A 345–396（52 aa） Fragment：SEE REMARK 999
Not recorded ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；A 1.0 uL drop was prepared using 0.5 uL protein mixture (13.8 mg/mL RG13, 2.5 mM zinc chloride) and 0.5 uL reservoir solution (0.2 M ammonium acetate, 0.1 M Tris, pH 8.5-9.5, 15-30% PEG3350) and equilibrated over a 1 ml reservoir solution, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K
Resolution 2.29 Å R-free 0.292
4DXB 2.29A structure of the engineered MBP TEM-1 fusion protein RG13 in complex with zinc, P1 space group Deposited 2012-02-27 Different construct Different mutation/modification 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 27–342（316 aa） Fragment：SEE REMARK 999
Chain B 345–396（52 aa） Fragment：SEE REMARK 999
Not recorded ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；A 1.0 uL drop was prepared using 0.5 uL protein mixture (13.8 mg/mL RG13, 2.5 mM zinc chloride) and 0.5 uL reservoir solution (0.2 M ammonium acetate, 0.1 M Tris, pH 8.5-9.5, 15-30% PEG3350) and equilibrated over a 1 ml reservoir solution, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K
Resolution 2.29 Å R-free 0.292
4DXC Crystal structure of the engineered MBP TEM-1 fusion protein RG13, C2 space group Deposited 2012-02-27 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 27–342（316 aa） Fragment：SEE REMARK 999
Chain A 345–396（52 aa） Fragment：SEE REMARK 999
Not recorded ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；A 1.0 uL drop was prepared using 0.5 uL protein mixture (13.8 mg/mL RG13, 2.5 mM zinc chloride) and 0.5 uL reservoir solution (0.2 M ammonium acetate, 0.1 M Tris, pH 8.5-9.5, 15-30% PEG3350) and equilibrated over a 1 ml reservoir solution, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K
Resolution 2.30 Å R-free 0.291
4EDQ MBP-fusion protein of myosin-binding protein c residues 149-269 Deposited 2012-03-27 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa） Fragment：UNP P0AEX9 residues 27-384 and UNP O70468 residues 149-269
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；290 K；20% PEG 5K MME 0.1 M Bicine pH 9.0 2.9mM 1-s-Nonyl- -D-thioglucoside, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 1.64 Å R-free 0.214
4EDQ MBP-fusion protein of myosin-binding protein c residues 149-269 Deposited 2012-03-27 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–384（358 aa） Fragment：UNP P0AEX9 residues 27-384 and UNP O70468 residues 149-269
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；290 K；20% PEG 5K MME 0.1 M Bicine pH 9.0 2.9mM 1-s-Nonyl- -D-thioglucoside, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 1.64 Å R-free 0.214
4EGC Crystal Structure of MBP-fused Human Six1 Bound to Human Eya2 Eya Domain Deposited 2012-03-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa） Fragment：SEE REMARK 999
Mutation：E172A,N173A,E359A,K362A,D363A MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.1；291 K；13.75% PEG8000, 0.01 M magnesium chloride, 0.05 M MES, pH 5.1, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.99 Å R-free 0.224
4EXK A chimera protein containing MBP fused to the C-terminal domain of the uncharacterized protein STM14_2015 from Salmonella enterica Deposited 2012-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 26–392（367 aa）
Not recorded PGE TRIETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；0.2 M Ammonium Acetate, 25 % peg 3320, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.28 Å R-free 0.178
4FE8 Crystal Structure of Htt36Q3H-EX1-X1-C1(Alpha) Deposited 2012-05-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–384（358 aa） Fragment：Huntingtin protein exon1 domain (UNP residues 1-164),Huntingtin protein exon1 domain (UNP residues 1-164)
Chain B 27–384（358 aa） Fragment：Huntingtin protein exon1 domain (UNP residues 1-164),Huntingtin protein exon1 domain (UNP residues 1-164)
Chain C 27–384（358 aa） Fragment：Huntingtin protein exon1 domain (UNP residues 1-164),Huntingtin protein exon1 domain (UNP residues 1-164)
Mutation：HQHQH,HQHQH Mutation：HQHQH,HQHQH Mutation：HQHQH,HQHQH ZN ZINC ION × 31 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；278 K；PEG12K, Na Acetate, Zn Acetate, Na Cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 3.00 Å R-free 0.275
4FEC Crystal Structure of Htt36Q3H Deposited 2012-05-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–384（358 aa） Fragment：Huntingtin protein exon1 domain
Chain B 27–384（358 aa） Fragment：Huntingtin protein exon1 domain
Chain C 27–384（358 aa） Fragment：Huntingtin protein exon1 domain
Mutation：HQHQH,HQHQH Mutation：HQHQH,HQHQH Mutation：HQHQH,HQHQH ZN ZINC ION × 31 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；278 K；PEG12K, Na Acetate, Zn Acetate, Na Cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 3.00 Å R-free 0.275
4FED Crystal Structure of Htt36Q3H Deposited 2012-05-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–384（358 aa） Fragment：Huntingtin protein exon1 domain,Huntingtin protein exon1 domain
Chain B 27–384（358 aa） Fragment：Huntingtin protein exon1 domain,Huntingtin protein exon1 domain
Chain C 27–384（358 aa） Fragment：Huntingtin protein exon1 domain,Huntingtin protein exon1 domain
Mutation：HQHQH Mutation：HQHQH Mutation：HQHQH ZN ZINC ION × 35 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；278 K；PEG12K, Na Acetate, Zn Acetate, Na Cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.81 Å R-free 0.269
4GIZ Crystal structure of full-length human papillomavirus oncoprotein E6 in complex with LXXLL peptide of ubiquitin ligase E6AP at 2.55 A resolution Deposited 2012-08-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa） Fragment：unp residues 27-392/403-414
Mutation：D83A,K84A,K240A,E360A,D364A,K363A ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；290 K；10% peg8000, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K
Resolution 2.55 Å R-free 0.196
4GIZ Crystal structure of full-length human papillomavirus oncoprotein E6 in complex with LXXLL peptide of ubiquitin ligase E6AP at 2.55 A resolution Deposited 2012-08-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–392（366 aa） Fragment：unp residues 27-392/403-414
Mutation：D83A,K84A,K240A,E360A,D364A,K363A ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；290 K；10% peg8000, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K
Resolution 2.55 Å R-free 0.196
4GLI Crystal Structure of Human SMN YG-Dimer Deposited 2012-08-14 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–395（369 aa） Fragment：SEE REMARK 999
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；294.15 K；0.1 M Tris-HCl, pH 8.0, 14% w/v PEG3350, 10 mM calcium chloride, 0.1 M potassium chloride, 0.1 M ammonium sulfate, 18% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 294.15K
Resolution 1.90 Å R-free 0.247
4IFP X-ray Crystal Structure of Human NLRP1 CARD Domain Deposited 2012-12-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：NLRP1-CARD
Not recorded MLI MALONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；1.4 M Malonate, 100 mM HEPES 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.99 Å R-free 0.208
4IFP X-ray Crystal Structure of Human NLRP1 CARD Domain Deposited 2012-12-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–392（366 aa） Fragment：NLRP1-CARD
Not recorded MLI MALONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；1.4 M Malonate, 100 mM HEPES 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.99 Å R-free 0.208
4IFP X-ray Crystal Structure of Human NLRP1 CARD Domain Deposited 2012-12-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–392（366 aa） Fragment：NLRP1-CARD
Not recorded MLI MALONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；1.4 M Malonate, 100 mM HEPES 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.99 Å R-free 0.208
4IKM X-ray structure of CARD8 CARD domain Deposited 2012-12-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：MBP tagged human CARD8 CARD domain
Non-standard monomer：Yes (specific site not provided by mmCIF) IOD IODIDE ION × 2 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.2；298 K；16% PEG8000, 0.1 M NaI, 0.1 M NaAc, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.46 Å R-free 0.253
4IRL X-ray structure of the CARD domain of zebrafish GBP-NLRP1 like protein Deposited 2013-01-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa） Fragment：Zebrafish GBP-NLRP1 CARD domain
Not recorded MLI MALONATE ION × 1 EDO 1,2-ETHANEDIOL × 1 ACT ACETATE ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；20% PEG1000, 0.2 M Sodium Malonate, 0.1 M MES 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.47 Å R-free 0.224
4IRL X-ray structure of the CARD domain of zebrafish GBP-NLRP1 like protein Deposited 2013-01-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–384（358 aa） Fragment：Zebrafish GBP-NLRP1 CARD domain
Not recorded MLI MALONATE ION × 1 EDO 1,2-ETHANEDIOL × 3 ACT ACETATE ION × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；20% PEG1000, 0.2 M Sodium Malonate, 0.1 M MES 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.47 Å R-free 0.224
4IRL X-ray structure of the CARD domain of zebrafish GBP-NLRP1 like protein Deposited 2013-01-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–384（358 aa） Fragment：Zebrafish GBP-NLRP1 CARD domain
Not recorded MLI MALONATE ION × 1 EDO 1,2-ETHANEDIOL × 1 ACT ACETATE ION × 1 NA SODIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；20% PEG1000, 0.2 M Sodium Malonate, 0.1 M MES 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.47 Å R-free 0.224
4JBZ Structure of Mcm10 coiled-coil region Deposited 2013-02-20 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–392（366 aa） Fragment：MALTOSE-BINDING PERIPLASMIC PROTEIN: unp residues 27-392, XENOPUS LAEVIS MCM10 COILED-COIL REGION (RESIDUES 95-124)
Chain B 27–392（366 aa） Fragment：MALTOSE-BINDING PERIPLASMIC PROTEIN: unp residues 27-392, XENOPUS LAEVIS MCM10 COILED-COIL REGION (RESIDUES 95-124)
Chain C 27–392（366 aa） Fragment：MALTOSE-BINDING PERIPLASMIC PROTEIN: unp residues 27-392, XENOPUS LAEVIS MCM10 COILED-COIL REGION (RESIDUES 95-124)
Mutation：D82A, K83A, E172A, N173A, K239A Mutation：D82A, K83A, E172A, N173A, K239A Mutation：D82A, K83A, E172A, N173A, K239A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.8；289.15 K；0.1M sodium acetate, 0.1M NaCl, 0.1M CaCl2, 15% PEG 2K,5% (w/v) N-dodecyl-beta-D-maltoside, pH 4.8, VAPOR DIFFUSION, SITTING DROP, temperature 289.15K
Resolution 2.40 Å R-free 0.205
4JKM Crystal Structure of Clostridium perfringens beta-glucuronidase Deposited 2013-03-09 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 C 27–392（366 aa）
Chain D 27–392（366 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 MES pH 6.0-6.5, 28-36% PEG 400, 0.02% sodium azide, vapor diffusion, hanging drop, temperature 289.15K
Resolution 2.26 Å R-free 0.234
4KEG Crystal Structure of MBP Fused Human SPLUNC1 Deposited 2013-04-25 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 27–387（361 aa） Fragment：UNP P0AEX9 residues 27-387, UNP Q9NP55 residues 43-256
Not recorded BOG octyl beta-D-glucopyranoside × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；25% PEG 550 MME, 0.05M HEPES, 0.02M magnesium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.50 Å R-free 0.259
4KEG Crystal Structure of MBP Fused Human SPLUNC1 Deposited 2013-04-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–387（361 aa） Fragment：UNP P0AEX9 residues 27-387, UNP Q9NP55 residues 43-256
Not recorded BOG octyl beta-D-glucopyranoside × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；25% PEG 550 MME, 0.05M HEPES, 0.02M magnesium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.50 Å R-free 0.259
4KHZ Crystal structure of the maltose-binding protein/maltose transporter complex in an pre-translocation conformation bound to maltoheptaose Deposited 2013-05-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 27–396（370 aa）
Not recorded PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；30% poly-ethylene glycol 400, 100 mM NaCl, 10 mM MgCl2, 100 mM sodium HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.90 Å R-free 0.283
4KI0 Crystal structure of the maltose-binding protein/maltose transporter complex in an outward-facing conformation bound to maltohexaose Deposited 2013-05-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 27–396（370 aa） Fragment：UNP residues 27-396
Not recorded MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 UMQ UNDECYL-MALTOSIDE × 11 PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；27% poly-ethylene glycol 400, 200 mM NaCl, 50 mM MgCl2, 100 mM sodium HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.38 Å R-free 0.228
4KV3 Ubiquitin-like domain of the Mycobacterium tuberculosis type VII secretion system protein EccD1 as maltose-binding protein fusion Deposited 2013-05-22 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1M HEPES PH 7.5, 1.4M SODIUM CITRATE, vapor diffusion, sitting drop, temperature 295K
Resolution 2.20 Å R-free 0.205
4KYC Structure of the C-terminal domain of the Menangle virus phosphoprotein, fused to MBP. Deposited 2013-05-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：unprot P0AEX9 residues 27-392, unprot Q91MK1 residues 339-388
Mutation：E172A, N173A, E359A, K362A, D363A, C352S EDO 1,2-ETHANEDIOL × 1 BO3 BORIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.1；291.15 K；24 %(w/v) PEG8000, 0.2 M Boric acid/KOH, pH 9.1, VAPOR DIFFUSION, SITTING DROP, temperature 291.15K
Resolution 1.95 Å R-free 0.213
4KYD Partial Structure of the C-terminal domain of the HPIV4B phosphoprotein, fused to MBP. Deposited 2013-05-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：unp P0AEX9 residues 27-392, unp P21738 residues 351-399
Mutation：D82A,K83A, E359A, K362A, D363A, C368S MPO 3[N-MORPHOLINO]PROPANE SULFONIC ACID × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；277.15 K；24 %(w/v) PEG 2000 0.2 M MOPS/KOH, pH 7.30, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.21 Å R-free 0.222
4KYD Partial Structure of the C-terminal domain of the HPIV4B phosphoprotein, fused to MBP. Deposited 2013-05-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–392（366 aa） Fragment：unp P0AEX9 residues 27-392, unp P21738 residues 351-399
Mutation：D82A,K83A, E359A, K362A, D363A, C368S MPO 3[N-MORPHOLINO]PROPANE SULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；277.15 K；24 %(w/v) PEG 2000 0.2 M MOPS/KOH, pH 7.30, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.21 Å R-free 0.222
4KYD Partial Structure of the C-terminal domain of the HPIV4B phosphoprotein, fused to MBP. Deposited 2013-05-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa） Fragment：unp P0AEX9 residues 27-392, unp P21738 residues 351-399
Chain B 27–392（366 aa） Fragment：unp P0AEX9 residues 27-392, unp P21738 residues 351-399
Mutation：D82A,K83A, E359A, K362A, D363A, C368S Mutation：D82A,K83A, E359A, K362A, D363A, C368S MPO 3[N-MORPHOLINO]PROPANE SULFONIC ACID × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；277.15 K；24 %(w/v) PEG 2000 0.2 M MOPS/KOH, pH 7.30, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.21 Å R-free 0.222
4KYE Partial Structure of the C-terminal domain of the HPIV4B phosphoprotein, fused to MBP. Deposited 2013-05-28 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：unprot P0AEX9 residues 27-392, unprot P21738 residues 351-399
Mutation：D82A,K83A,E359A,K362A,D363A, C368S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.7；277.15 K；24 %(w/v) PEG 8000, 0.2 M Bis-tris/HCl, 0.5 M Ammonium nitrate , pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.60 Å R-free 0.246
4KYE Partial Structure of the C-terminal domain of the HPIV4B phosphoprotein, fused to MBP. Deposited 2013-05-28 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa） Fragment：unprot P0AEX9 residues 27-392, unprot P21738 residues 351-399
Mutation：D82A,K83A,E359A,K362A,D363A, C368S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.7；277.15 K；24 %(w/v) PEG 8000, 0.2 M Bis-tris/HCl, 0.5 M Ammonium nitrate , pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.60 Å R-free 0.246
4N4X Crystal Structure of the MBP fused human SPLUNC1 (native form) Deposited 2013-10-08 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 27–387（361 aa） Fragment：UNP P0AEX9 residues 27-387, UNP Q9NP55 residues 43-256
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 7.5；292 K；50mM HEPES pH 7.5, 20mM MgCl2, 25% PEG 550MME, EVAPORATION, temperature 292K
Resolution 2.50 Å R-free 0.268
4N4X Crystal Structure of the MBP fused human SPLUNC1 (native form) Deposited 2013-10-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–387（361 aa） Fragment：UNP P0AEX9 residues 27-387, UNP Q9NP55 residues 43-256
Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 7.5；292 K；50mM HEPES pH 7.5, 20mM MgCl2, 25% PEG 550MME, EVAPORATION, temperature 292K
Resolution 2.50 Å R-free 0.268
4NDZ Structure of Maltose Binding Protein fusion to 2-O-Sulfotransferase with bound heptasaccharide and PAP Deposited 2013-10-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–393（367 aa）
Chain B 27–393（367 aa）
Chain C 27–393（367 aa）
Mutation：E359A, K362A, D363A, R367N Mutation：E359A, K362A, D363A, R367N Mutation：E359A, K362A, D363A, R367N A3P ADENOSINE-3'-5'-DIPHOSPHATE × 3 NPO P-NITROPHENOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；295 K；17.9% PEG 4000, 60mM sodium citrate, 120mM ammonium acetate, 10.5% glycerol, 10mM hexamine cobalt chloride, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 3.45 Å R-free 0.228
4NDZ Structure of Maltose Binding Protein fusion to 2-O-Sulfotransferase with bound heptasaccharide and PAP Deposited 2013-10-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain D 27–393（367 aa）
Chain E 27–393（367 aa）
Chain F 27–393（367 aa）
Mutation：E359A, K362A, D363A, R367N Mutation：E359A, K362A, D363A, R367N Mutation：E359A, K362A, D363A, R367N A3P ADENOSINE-3'-5'-DIPHOSPHATE × 3 NPO P-NITROPHENOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；295 K；17.9% PEG 4000, 60mM sodium citrate, 120mM ammonium acetate, 10.5% glycerol, 10mM hexamine cobalt chloride, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 3.45 Å R-free 0.228
4O2X Structure of a malarial protein Deposited 2013-12-17 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–371（371 aa） Fragment：MBP residues, malarial ClpS residues 73-192
Mutation：A83D, A84K, A1733, A174N, A240K, A360E, A363K, A364D No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5；273 K；Ammonium Sulfate 2 M, NaCl 1.8 M no buffer, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 273K
Resolution 2.70 Å R-free 0.239
4O2X Structure of a malarial protein Deposited 2013-12-17 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–371（371 aa） Fragment：MBP residues, malarial ClpS residues 73-192
Mutation：A83D, A84K, A1733, A174N, A240K, A360E, A363K, A364D No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5；273 K；Ammonium Sulfate 2 M, NaCl 1.8 M no buffer, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 273K
Resolution 2.70 Å R-free 0.239
4QSZ Crystal structure of mouse JMJd7 fused with maltose-binding protein Deposited 2014-07-06 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 27–387（361 aa） Fragment：SEE REMARK 999
Not recorded GLC alpha-D-glucopyranose × 2 FLC CITRATE ANION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8；277 K；Hampton Research PEG/ION HT (89): 20 mM sodium citrate, 80 mM Bis-Tris propane, 16% PEG3350, pH 8.0, EVAPORATION, temperature 277K
Resolution 2.86 Å R-free 0.264
4QSZ Crystal structure of mouse JMJd7 fused with maltose-binding protein Deposited 2014-07-06 Different construct Different mutation/modification 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 27–387（361 aa） Fragment：SEE REMARK 999
Not recorded GLC alpha-D-glucopyranose × 2 FLC CITRATE ANION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8；277 K；Hampton Research PEG/ION HT (89): 20 mM sodium citrate, 80 mM Bis-Tris propane, 16% PEG3350, pH 8.0, EVAPORATION, temperature 277K
Resolution 2.86 Å R-free 0.264
4QSZ Crystal structure of mouse JMJd7 fused with maltose-binding protein Deposited 2014-07-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–387（361 aa） Fragment：SEE REMARK 999
Chain B 27–387（361 aa） Fragment：SEE REMARK 999
Not recorded GLC alpha-D-glucopyranose × 4 FLC CITRATE ANION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8；277 K；Hampton Research PEG/ION HT (89): 20 mM sodium citrate, 80 mM Bis-Tris propane, 16% PEG3350, pH 8.0, EVAPORATION, temperature 277K
Resolution 2.86 Å R-free 0.264
4QVH Crystal structure of the essential Mycobacterium tuberculosis phosphopantetheinyl transferase PptT, solved as a fusion protein with maltose binding protein Deposited 2014-07-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded COA COENZYME A × 2 MG MAGNESIUM ION × 2 GOL GLYCEROL × 7 FLC CITRATE ANION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；1.6M Na citrate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.75 Å R-free 0.191
4R0Y Structure of Maltose-binding Protein Fusion with the C-terminal GH1 domain of Guanylate Kinase-associated Protein from Rattus norvegicus Deposited 2014-08-03 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–387（361 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；0.1M Sodium Citrate pH 5.0, 15% PEG 1500, 0.1M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.281
4R0Y Structure of Maltose-binding Protein Fusion with the C-terminal GH1 domain of Guanylate Kinase-associated Protein from Rattus norvegicus Deposited 2014-08-03 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–387（361 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；0.1M Sodium Citrate pH 5.0, 15% PEG 1500, 0.1M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.281
4RWF Crystal structure of the CLR:RAMP2 extracellular domain heterodimer with bound adrenomedullin Deposited 2014-12-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 26–398（373 aa）
Not recorded EDO 1,2-ETHANEDIOL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；293 K；19% PEG3350 0.1 M Tris-HCl, pH 8.3 225 mM Sodium Acetate 20% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.76 Å R-free 0.200
4RWG Crystal structure of the CLR:RAMP1 extracellular domain heterodimer with bound high affinity CGRP analog Deposited 2014-12-03 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 26–398（373 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；16% PEG3350, 8% Tacsimate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.44 Å R-free 0.243
4RWG Crystal structure of the CLR:RAMP1 extracellular domain heterodimer with bound high affinity CGRP analog Deposited 2014-12-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 26–398（373 aa）
Not recorded MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；16% PEG3350, 8% Tacsimate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.44 Å R-free 0.243
4RWG Crystal structure of the CLR:RAMP1 extracellular domain heterodimer with bound high affinity CGRP analog Deposited 2014-12-03 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 26–398（373 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；16% PEG3350, 8% Tacsimate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.44 Å R-free 0.243
4WJV Crystal structure of Rsa4 in complex with the Nsa2 binding peptide Deposited 2014-10-01 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 5 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain E 27–393（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.2M NH4SO4, 20% PEG 3350
Resolution 3.20 Å R-free 0.244
4WJV Crystal structure of Rsa4 in complex with the Nsa2 binding peptide Deposited 2014-10-01 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 6 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain F 27–393（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.2M NH4SO4, 20% PEG 3350
Resolution 3.20 Å R-free 0.244
4WJV Crystal structure of Rsa4 in complex with the Nsa2 binding peptide Deposited 2014-10-01 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 7 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain G 27–393（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.2M NH4SO4, 20% PEG 3350
Resolution 3.20 Å R-free 0.244
4WJV Crystal structure of Rsa4 in complex with the Nsa2 binding peptide Deposited 2014-10-01 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 8 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain H 27–393（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.2M NH4SO4, 20% PEG 3350
Resolution 3.20 Å R-free 0.244
4WMS STRUCTURE OF APO MBP-MCL1 AT 1.9A Deposited 2014-10-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：UNP P0AEX9 residues 27-392,UNP Q07820 residues 174-321
Mutation：K194A, K197A, R201A MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 2 FMT FORMIC ACID × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；10 MG/ML MBP-MCL1 VCID 9272, 200MM MG FORMATE, 20% PEG3350, 1MM MALTOSE, CRYOPROTECTANT 20%
Resolution 1.90 Å R-free 0.214
4WMT STRUCTURE OF MBP-MCL1 BOUND TO ligand 1 AT 2.35A Deposited 2014-10-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：UNP P0AEX9 residues 27-392,UNP Q07820 residues 174-321
Mutation：K194A, K197A, R201A 865 7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid × 1 EDO 1,2-ETHANEDIOL × 1 FMT FORMIC ACID × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；10 MG/ML MBP-MCL1, 200MM MG FORMATE, 20% PEG3350, 1MM MALTOSE, 2MM ligand
Resolution 2.35 Å R-free 0.215
4WMU STRUCTURE OF MBP-MCL1 BOUND TO ligand 2 AT 1.55A Deposited 2014-10-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：UNP P0AEX9 residues 27-392,UNP Q07820 residues 174-321
Mutation：K194A, K197A, R201A 19H 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid × 1 MG MAGNESIUM ION × 2 FMT FORMIC ACID × 13 NA SODIUM ION × 1 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；10 MG/ML MBP-MCL1, 200MM MG FORMATE, 20% PEG3350, 1MM MALTOSE, 1MM ligand 2
Resolution 1.55 Å R-free 0.190
4WMV STRUCTURE OF MBP-MCL1 BOUND TO ligand 4 AT 2.4A Deposited 2014-10-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：K194A, K197A, R201A CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 3R4 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；10 MG/ML MBP-MCL1, 200MM MG FORMATE, 20% PEG3350, 1MM MALTOSE, CRYOPROTECTANT 20% ethylene glycol, SOAKED IN 10MM ligand for 2 DAYS
Resolution 2.40 Å R-free 0.253
4WMW The structure of MBP-MCL1 bound to ligand 5 at 1.9A Deposited 2014-10-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：K194A, K197A, R201A MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 2 FMT FORMIC ACID × 7 3R6 2-hydroxy-5-(methylsulfanyl)benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；10 MG/ML MBP-MCL1 VCID 9272, 200MM MG FORMATE, 20% PEG3350, 1MM MALTOSE, 2MM ligand 5, CRYOPROTECTANT 20% ETHYLENE GLYCOL, PH 7.0
Resolution 1.90 Å R-free 0.214
4WMX The structure of MBP-MCL1 bound to ligand 6 at 2.0A Deposited 2014-10-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：UNP P0AEX9 residues 27-392,UNP Q07820 residues 174-321
Mutation：K194A, K197A, R201A 3R7 4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid × 1 FMT FORMIC ACID × 10 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；10 MG/ML MBP-MCL1, 200MM MG FORMATE, 20% PEG3350, 1MM MALTOSE, 2MM ligand 6, CRYOPROTECTANT 20% ETHYLENE GLYCOL, PH 7.0
Resolution 2.00 Å R-free 0.217
4XR8 Crystal structure of the HPV16 E6/E6AP/p53 ternary complex at 2.25 A resolution Deposited 2015-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 27–393（367 aa）
Mutation：D83A,K84A,K240A,E360A,D364A,K363A PEG DI(HYDROXYETHYL)ETHER × 2 ZN ZINC ION × 3 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；290 K；7.5 % PEG 20K, 0.05 M MES pH 6.5
Resolution 2.25 Å R-free 0.246
4XR8 Crystal structure of the HPV16 E6/E6AP/p53 ternary complex at 2.25 A resolution Deposited 2015-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 27–393（367 aa）
Mutation：D83A,K84A,K240A,E360A,D364A,K363A PEG DI(HYDROXYETHYL)ETHER × 2 ZN ZINC ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；290 K；7.5 % PEG 20K, 0.05 M MES pH 6.5
Resolution 2.25 Å R-free 0.246
4XZS Crystal Structure of TRIAP1-MBP fusion Deposited 2015-02-04 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；293 K；100 mM sodium acetate, 25% (w/v) PEG 4000, 18% (w/v) MPD, 200 mM ammonium sulphate
Resolution 2.12 Å R-free 0.242
4XZS Crystal Structure of TRIAP1-MBP fusion Deposited 2015-02-04 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；293 K；100 mM sodium acetate, 25% (w/v) PEG 4000, 18% (w/v) MPD, 200 mM ammonium sulphate
Resolution 2.12 Å R-free 0.242
4XZV Crystal Structure of SLMO1-TRIAP1 Complex Deposited 2015-02-05 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；100 mM sodium formate, 12% (w/v) PEG 3350
Resolution 3.58 Å R-free 0.309
4XZV Crystal Structure of SLMO1-TRIAP1 Complex Deposited 2015-02-05 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；100 mM sodium formate, 12% (w/v) PEG 3350
Resolution 3.58 Å R-free 0.309
4XZV Crystal Structure of SLMO1-TRIAP1 Complex Deposited 2015-02-05 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；100 mM sodium formate, 12% (w/v) PEG 3350
Resolution 3.58 Å R-free 0.309
4XZV Crystal Structure of SLMO1-TRIAP1 Complex Deposited 2015-02-05 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；100 mM sodium formate, 12% (w/v) PEG 3350
Resolution 3.58 Å R-free 0.309
5AQ9 DARPin-based Crystallization Chaperones exploit Molecular Geometry as a Screening Dimension in Protein Crystallography Deposited 2015-09-21 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 33–392（360 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.1；PEG6000 17% W/V, AMMONIUM CHLORIDE 0.2 M, HEPES 0.05 M, PH 7.1
Resolution 1.86 Å R-free 0.204
5AQ9 DARPin-based Crystallization Chaperones exploit Molecular Geometry as a Screening Dimension in Protein Crystallography Deposited 2015-09-21 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 33–392（360 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.1；PEG6000 17% W/V, AMMONIUM CHLORIDE 0.2 M, HEPES 0.05 M, PH 7.1
Resolution 1.86 Å R-free 0.204
5AZ6 Crystal structure of MBP-Tom20 fusion protein with a 2-residue spacer in the connector helix Deposited 2015-09-27 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–394（368 aa） Fragment：UNP RESIDUES 27-394,UNP RESIDUES 65-126
Mutation：A313V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；293 K；16% PEG 3350, 0.2M Disodium malonate, 0.1M HEPES (pH7.3)
Resolution 2.56 Å R-free 0.260
5AZ6 Crystal structure of MBP-Tom20 fusion protein with a 2-residue spacer in the connector helix Deposited 2015-09-27 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–394（368 aa） Fragment：UNP RESIDUES 27-394,UNP RESIDUES 65-126
Mutation：A313V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；293 K；16% PEG 3350, 0.2M Disodium malonate, 0.1M HEPES (pH7.3)
Resolution 2.56 Å R-free 0.260
5AZ7 Crystal structure of MBP-Tom20 fusion protein with a 4-residue spacer in the connector helix Deposited 2015-09-27 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–394（368 aa） Fragment：UNP RESIDUES 27-394,UNP RESIDUES 65-126
Mutation：A313V, C409S,A313V, C409S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.4；293 K；50% PEG 400, 0.1M Phosphate citrate (pH 4.4)
Resolution 1.96 Å R-free 0.242
5AZ8 Crystal structure of MBP-Tom20 fusion protein tethered with ALDH presequence via a disulfide bond Deposited 2015-09-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–394（368 aa） Fragment：UNP RESIDUES 27-394,UNP RESIDUES 65-126,UNP RESIDUES 27-394,UNP RESIDUES 65-126
Mutation：A314V AAC ACETYLAMINO-ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；24% PEG 8000, 20% Glycerol, 0.04M Potassium thiocyanate
Resolution 1.70 Å R-free 0.196
5AZ9 Crystal structure of (5-residue deleted)MBP-Tom20 fusion protein tethered with ALDH presequence via a disulfide bond Deposited 2015-09-27 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–394（368 aa） Fragment：UNP RESIDUES 27-394,UNP RESIDUES 65-126
Mutation：A308V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；20% PEG 3350, 0.2M Potassium nitrate
Resolution 1.82 Å R-free 0.227
5AZA Crystal structure of MBP-sAglB fusion protein with a 20-residue spacer in the connector helix Deposited 2015-09-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–394（368 aa） Fragment：UNP RESIDUES 27-394,UNP RESIDUES 491-967
Mutation：A312V CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；17% PEG 10000, 0.1M Ammounium phosphate, 0.1M Bis-Tris pH5.5, 1.0M Lithium chloride
Resolution 2.08 Å R-free 0.248
5B3W Crystal structure of hPin1 WW domain (5-15) fused with maltose-binding protein in C2221 form Deposited 2016-03-17 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa） Fragment：UNP(Q13526) residues 5-15,UNP(P0AEX9) residues 27-393
Mutation：R382N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.2 M DL-malic acid
Resolution 2.40 Å R-free 0.214
5B3W Crystal structure of hPin1 WW domain (5-15) fused with maltose-binding protein in C2221 form Deposited 2016-03-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–393（367 aa） Fragment：UNP(Q13526) residues 5-15,UNP(P0AEX9) residues 27-393
Mutation：R382N CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.2 M DL-malic acid
Resolution 2.40 Å R-free 0.214
5B3X Crystal structure of hPin1 WW domain (5-15) fused with maltose-binding protein in P41212 form Deposited 2016-03-17 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa） Fragment：UNP(Q13526) residues 5-15,UNP(P0AEX9) residues 27-393
Mutation：R382N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.2 M DL-malic acid
Resolution 2.40 Å R-free 0.260
5B3Z Crystal structure of hPin1 WW domain (5-39) fused with maltose-binding protein Deposited 2016-03-17 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa） Fragment：UNP(Q13526) 5-39,UNP(P0AEX9) residues 27-393
Mutation：R403N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.6M ammonium citrate
Resolution 2.30 Å R-free 0.224
5B3Z Crystal structure of hPin1 WW domain (5-39) fused with maltose-binding protein Deposited 2016-03-17 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–393（367 aa） Fragment：UNP(Q13526) 5-39,UNP(P0AEX9) residues 27-393
Mutation：R403N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.6M ammonium citrate
Resolution 2.30 Å R-free 0.224
5B3Z Crystal structure of hPin1 WW domain (5-39) fused with maltose-binding protein Deposited 2016-03-17 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–393（367 aa） Fragment：UNP(Q13526) 5-39,UNP(P0AEX9) residues 27-393
Mutation：R403N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.6M ammonium citrate
Resolution 2.30 Å R-free 0.224
5B3Z Crystal structure of hPin1 WW domain (5-39) fused with maltose-binding protein Deposited 2016-03-17 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain D 27–393（367 aa） Fragment：UNP(Q13526) 5-39,UNP(P0AEX9) residues 27-393
Mutation：R403N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.6M ammonium citrate
Resolution 2.30 Å R-free 0.224
5BK2 Crystal structure of maltose binding protein in complex with a peristeric synthetic antibody Deposited 2017-09-12 Different construct Different mutation/modification 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 27–392（366 aa）
Not recorded CL CHLORIDE ION × 3 GOL GLYCEROL × 7 PO4 PHOSPHATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M KSCN and 18% PEG 3350
Resolution 2.60 Å R-free 0.259
5BK2 Crystal structure of maltose binding protein in complex with a peristeric synthetic antibody Deposited 2017-09-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 27–392（366 aa）
Not recorded CL CHLORIDE ION × 4 GOL GLYCEROL × 4 PO4 PHOSPHATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M KSCN and 18% PEG 3350
Resolution 2.60 Å R-free 0.259
5CBN Fusion protein of mbp3-16 and B4 domain of protein A from staphylococcal aureus with chemical cross-linker EY-CBS Deposited 2015-07-01 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 B 27–392（366 aa） Fragment：UNP RESIDUES 31-392
Not recorded EYC 2,2'-ethyne-1,2-diylbis{5-[(chloroacetyl)amino]benzenesulfonic acid} × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；277 K；36% w/v PEG 2000, 0.2M magnesium chloride hexahydrate
Resolution 2.30 Å R-free 0.260
5CFV Fusion of Maltose-binding Protein and PilA from Acinetobacter nosocomialis M2 Deposited 2015-07-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 GOL GLYCEROL × 3 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；Drops were set at a ratio of 2:1 mother-liquor to protein, at 10mg/ml protein concentration. The mother-liquor consisted of 0.1M Bicine/Trizma pH 8.0, 0.06M MgCl2, 0.06M CaCl2, 25% MPD, 25% PEG3350, 25% PEG400
Resolution 1.80 Å R-free 0.228
5DIS Crystal structure of a CRM1-RanGTP-SPN1 export complex bound to a 113 amino acid FG-repeat containing fragment of Nup214 Deposited 2015-09-01 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 D 32–387（356 aa）
Not recorded PRO PROLINE × 2 GTP GUANOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；5% PEG 8000, 0.2M L-proline, 0.1M Tris pH 7.5, 4 mM D-maltose, 180 mM LiCl
Resolution 2.85 Å R-free 0.249
5FSG Structure of the hantavirus nucleoprotein provides insights into the mechanism of RNA encapsidation and a template for drug design Deposited 2016-01-05 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–384（359 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5；17% PEG3350 0.2M AMMONIUM CITRATE PH 5.0
Resolution 3.21 Å R-free 0.299
5GRU Structure of mono-specific diabody Deposited 2016-08-12 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 27–392（366 aa） Fragment：UNP RESIDUES 27-392
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；296 K；0.1 M Sodium citrate tribasic pH 5.6, 27.5% PEG 12000, 0.1 M Sodium iodide
Resolution 1.96 Å R-free 0.237
5GS2 Crystal structure of diabody complex with repebody and MBP Deposited 2016-08-13 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 27–393（367 aa） Fragment：UNP RESIDUES 27-393
Mutation：R367N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；296 K；0.1 M Sodium acetate pH 4.2, 2 M Ammonium sulfate
Resolution 3.59 Å R-free 0.278
5GXT Crystal structure of PigG Deposited 2016-09-20 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 27–392（366 aa）
Not recorded MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；MgCl2, Tris-HCl, pH 8.5, PEG 4000
Resolution 2.25 Å R-free 0.296
5GXV Crystal structure of PigG Deposited 2016-09-20 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 27–392（366 aa）
Not recorded MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；MgCl2,Tris-HCl, pH 8.5, PEG 4000
Resolution 2.10 Å R-free 0.232
5HZV Crystal structure of the zona pellucida module of human endoglin/CD105 Deposited 2016-02-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa）
Mutation：;D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N ; GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；11.5% equal mixture of MPD, PEG 1000 and PEG 3350 (1:1:1), MES/imidazole mix
Resolution 2.70 Å R-free 0.272
5HZW Crystal structure of the orphan region of human endoglin/CD105 in complex with BMP9 Deposited 2016-02-03 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 27–393（367 aa） Fragment：UNP Residues 27-393,UNP Residues 25-337,UNP Residues 27-393,UNP Residues 25-337
Mutation：;I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N ; NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；1.1 M AMMONIUM TARTRATE
Resolution 4.45 Å R-free 0.318
5I04 Crystal structure of the orphan region of human endoglin/CD105 Deposited 2016-02-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa）
Mutation：;I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N ; NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PGE TRIETHYLENE GLYCOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；30% PEG 1000, 0.1 M TRIS-HCL
Resolution 2.42 Å R-free 0.263
5I69 MBP-MamC magnetite-interaction component mutant-D70A Deposited 2016-02-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–389（363 aa）
Chain A 390–396（7 aa）
Mutation：D70A Mutation：D70A SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2M ammonium sulfate and 0.1M sodium citrate pH 4.5
Resolution 2.70 Å R-free 0.293
5IHJ Fusion of Maltose-binding Protein and PilA from Acinetobacter baumannii BIDMC57 Deposited 2016-02-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 GOL GLYCEROL × 4 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；0.1M Bicine/Trizma pH 8.0 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD 0.06M CaCl 0.06M MgCl 50 mM NaCl 3% EtOH
Resolution 2.20 Å R-free 0.244
5II5 Crystal structure of red abalone VERL repeat 1 at 1.8 A resolution Deposited 2016-03-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa）
Mutation：N4115Q, N4122T, N4142Y,N4115Q, N4122T, N4142Y,N4115Q, N4122T, N4142Y,N4115Q, N4122T, N4142Y PGE TRIETHYLENE GLYCOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.5；293 K；40% PEG 600, 0.1M CHES
Resolution 1.80 Å R-free 0.233
5IIC Crystal structure of red abalone VERL repeat 3 at 2.9 A resolution Deposited 2016-03-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–393（367 aa）
Chain B 27–393（367 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；20% PEG 4000, 20% isopropanol, 0.1M tri-sodium citrate
Resolution 2.90 Å R-free 0.310
5JST MBP fused MDV1 coiled coil Deposited 2016-05-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa） Fragment：UNP RESIDUES 27-392,UNP RESIDUES 230-300
Chain B 27–392（366 aa） Fragment：UNP RESIDUES 27-392,UNP RESIDUES 230-300
Not recorded ACT ACETATE ION × 5 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；1.3~1.7 M Sodium formate, 25% PEG 3350, 0.1 M CaCl2, 0.1 M Sodium acetate/Acetic acid, pH 4.5
Resolution 2.20 Å R-free 0.274
5M13 Synthetic nanobody in complex with MBP Deposited 2016-10-07 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 27–392（366 aa）
Not recorded EDO 1,2-ETHANEDIOL × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；100 mM Tris pH 8.5, 25 % PEG3350
Resolution 1.37 Å R-free 0.186
5M14 Synthetic nanobody in complex with MBP Deposited 2016-10-07 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；100 mM Potassium thiocyanate, 30 % PEG2000MME
Resolution 1.60 Å R-free 0.216
5M14 Synthetic nanobody in complex with MBP Deposited 2016-10-07 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；100 mM Potassium thiocyanate, 30 % PEG2000MME
Resolution 1.60 Å R-free 0.216
5M14 Synthetic nanobody in complex with MBP Deposited 2016-10-07 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；100 mM Potassium thiocyanate, 30 % PEG2000MME
Resolution 1.60 Å R-free 0.216
5M15 Synthetic nanobody in complex with MBP Deposited 2016-10-07 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；100 mM Sodium acetate, 200 mM Ammonium acetate, 30 % PEG4000, pH 4.6
Resolution 1.90 Å R-free 0.257
5M15 Synthetic nanobody in complex with MBP Deposited 2016-10-07 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；100 mM Sodium acetate, 200 mM Ammonium acetate, 30 % PEG4000, pH 4.6
Resolution 1.90 Å R-free 0.257
5M15 Synthetic nanobody in complex with MBP Deposited 2016-10-07 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；100 mM Sodium acetate, 200 mM Ammonium acetate, 30 % PEG4000, pH 4.6
Resolution 1.90 Å R-free 0.257
5OSQ ZP-N domain of mammalian sperm receptor ZP3 (crystal form II, processed in P21221) Deposited 2017-08-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa） Fragment：UNP RESIDUES 27-393,ZP3 ZP-N domain, UNP residues 42-143
Mutation：I28T, E385A, K388A, D389A, R393N CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；SAMPLE: 15MG/ML PROTEIN IN 0.05M SODIUM CHLORIDE, 0.01M TRIS-HCL, PH7.2, 0.001M MALTOSE. RESERVOIR: 10% PEG6000, 0.2M CALCIUM CHLORIDE, 0.1M TRIS-HCL, PH7.0. SAMPLE TO RESERVOIR RATIO IN DROP: 1:1, PH7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293.0K
Resolution 2.05 Å R-free 0.241
5OSQ ZP-N domain of mammalian sperm receptor ZP3 (crystal form II, processed in P21221) Deposited 2017-08-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–393（367 aa） Fragment：UNP RESIDUES 27-393,ZP3 ZP-N domain, UNP residues 42-143
Mutation：I28T, E385A, K388A, D389A, R393N CA CALCIUM ION × 3 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；SAMPLE: 15MG/ML PROTEIN IN 0.05M SODIUM CHLORIDE, 0.01M TRIS-HCL, PH7.2, 0.001M MALTOSE. RESERVOIR: 10% PEG6000, 0.2M CALCIUM CHLORIDE, 0.1M TRIS-HCL, PH7.0. SAMPLE TO RESERVOIR RATIO IN DROP: 1:1, PH7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293.0K
Resolution 2.05 Å R-free 0.241
5WVM Crystal structure of baeS cocrystallized with 2 mM indole Deposited 2016-12-26 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 27–392（366 aa）
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；Citric Acid: NaOH , 2.0M Ammonium Sulfate
Resolution 2.90 Å R-free 0.247
5WVN Crystal structure of MBS-BaeS fusion protein Deposited 2016-12-26 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 27–392（366 aa）
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；Citric Acid: NaOH , Ammonium Sulfate
Resolution 2.80 Å R-free 0.270
5Y2G Structure of MBP tagged GBS CAMP Deposited 2017-07-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：UNP RESIDUES 27-392,UNP RESIDUES 1-226
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.5 M Ammonium Sulfate, 0.1 M HEPES, pH 7.0
Resolution 3.00 Å R-free 0.315
5ZCA Crystal structure of lambda repressor (1-20) fused with maltose-binding protein Deposited 2018-02-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.6 M triammonium citrate
Resolution 1.80 Å R-free 0.215
5ZNY Structure of mDR3_DD-C363G with MBP tag Deposited 2018-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A,I387V Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A,I387V Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A,I387V Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A,I387V SO4 SULFATE ION × 27 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；2.2 M ammonium sulfate, 0.1 M MES pH 5.5
Resolution 2.74 Å R-free 0.248
5ZNZ Structure of mDR3 DD with MBP tag mutant-I387V Deposited 2018-04-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A,I387V Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A,I387V Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A,I387V Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A,I387V SO4 SULFATE ION × 26 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；2.5 M ammonium sulfate, 0.1 M MES 5.5
Resolution 2.55 Å R-free 0.274
5ZR0 Solution structure of peptidyl-prolyl cis/trans isomerase domain of Trigger Factor in complex with MBP Deposited 2018-04-21 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 238–266（29 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；295 K；Ionic strength (raw mmCIF value) 100；Pressure 1
NMR sample composition 1 mM [U-99% 13C; U-99% 15N] MBP238-266-PPD fusion, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
6APX Crystal structure of human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the monobody YSX1 Deposited 2017-08-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Mutation：D82A, K83A, E172A, N173A, K239A, K362A, E359A, D363A, C258S SO4 SULFATE ION × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.9；292 K；75 mM MES pH 5.9 2.4 M ammonium sulfate
Resolution 2.49 Å R-free 0.236
6CXS Crystal Structure of Clostridium perfringens beta-glucuronidase bound with a novel, potent inhibitor 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine Deposited 2018-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 27–392（366 aa） Fragment：residues 27-392
Chain D 27–392（366 aa） Fragment：residues 27-392
Not recorded FJV 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；0.1 M MES, 28-36% PEG 400
Resolution 2.80 Å R-free 0.236
6D65 Crystal structure of the human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the designed AR protein off7 Deposited 2018-04-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–391（365 aa）
Mutation：D82A, K83A, E172A, N173A, K239A, E362A, D363A, C258S GOL GLYCEROL × 4 SO4 SULFATE ION × 11 EOH ETHANOL × 9 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；292 K；0.15 M NaCl 0.1 M sodium cacodylate 2.0 M ammonium sulfate
Resolution 2.35 Å R-free 0.241
6D65 Crystal structure of the human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the designed AR protein off7 Deposited 2018-04-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 27–391（365 aa）
Mutation：D82A, K83A, E172A, N173A, K239A, E362A, D363A, C258S GOL GLYCEROL × 2 SO4 SULFATE ION × 12 EOH ETHANOL × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；292 K；0.15 M NaCl 0.1 M sodium cacodylate 2.0 M ammonium sulfate
Resolution 2.35 Å R-free 0.241
6D66 Crystal structure of the human dual specificity 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the designed AR protein mbp3_16 Deposited 2018-04-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–391（365 aa）
Mutation：D82A, K83A, E172A, N173A, K239A, E362A, D363A, C258S,D82A, K83A, E172A, N173A, K239A, E362A, D363A, C258S PEG DI(HYDROXYETHYL)ETHER × 3 PO4 PHOSPHATE ION × 1 GLY GLYCINE × 3 PGE TRIETHYLENE GLYCOL × 3 EDO 1,2-ETHANEDIOL × 12 PG4 TETRAETHYLENE GLYCOL × 1 DAL D-ALANINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；292 K；0.2 M DL-glutamic acid 0.2 M DL-alanine 0.2 M -glycine 0.2 M-DL-lysine 0.2 M DL-serine 0.1 M Tris: Bicine 25% MPD 25% PEG1000 25% PEG3350
Resolution 2.23 Å R-free 0.202
6D67 Crystal structure of the human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion (maltose bound form) in complex with the designed AR protein mbp3_16 Deposited 2018-04-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–391（365 aa）
Mutation：D82A, K83A, E172A, N173A, K239A, E359A, K362A, D363A,D82A, K83A, E172A, N173A, C258S, K239A, E359A, K362A, D363A PEG DI(HYDROXYETHYL)ETHER × 1 PO4 PHOSPHATE ION × 1 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；292 K；0.2 M DL-GLUTAMIC ACID 0.2 M DL-ALANINE 0.2 M GLYCINE 0.2 M DL-LYSINE 0.2 M DL-SERINE 0.1 M TRIS; BICINE 25% MPD 25% PEG1000 25% PEG3350
Resolution 2.55 Å R-free 0.252
6DBI Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS nicked DNA intermediates Deposited 2018-05-03 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 × 4 PDB declaration: decameric
Chain A 29–392（364 aa）
Chain C 29–392（364 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Solutions were made fresh from concentrated to avoid microbial contamination.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å R-free 0.478
6DBJ Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS nicked DNA intermediates Deposited 2018-05-03 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 × 4 PDB declaration: decameric
Chain A 29–392（364 aa）
Chain C 29–392（364 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Solutions were made fresh from concentrated to avoid microbial contamination.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å R-free 0.384
6DBL Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs Deposited 2018-05-03 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 × 4 PDB declaration: octameric
Chain A 29–392（364 aa）
Chain C 29–392（364 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Solutions were made fresh from concentrated to avoid microbial contamination.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 5.00 Å R-free 0.410
6DBO Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs Deposited 2018-05-03 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 × 4 PDB declaration: octameric
Chain A 29–392（364 aa）
Chain C 29–392（364 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Solutions were made fresh from concentrated to avoid microbial contamination.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.40 Å R-free 0.452
6DBQ Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs Deposited 2018-05-03 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 × 4 PDB declaration: octameric
Chain A 29–392（364 aa）
Chain C 29–392（364 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Solutions were made fresh from concentrated to avoid microbial contamination.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.22 Å R-free 0.441
6DBR Cryo-EM structure of RAG in complex with one melted RSS and one unmelted RSS Deposited 2018-05-03 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 × 4 PDB declaration: octameric
Chain A 29–392（364 aa）
Chain C 29–392（364 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Solutions were made fresh from concentrated to avoid microbial contamination.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.00 Å R-free 0.417
6DBT Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs Deposited 2018-05-03 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 × 4 PDB declaration: octameric
Chain A 29–392（364 aa）
Chain C 29–392（364 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Solutions were made fresh from concentrated to avoid microbial contamination.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.30 Å R-free 0.443
6DBU Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs Deposited 2018-05-03 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 × 4 PDB declaration: octameric
Chain A 29–392（364 aa）
Chain C 29–392（364 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Solutions were made fresh from concentrated to avoid microbial contamination.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.90 Å R-free 0.451
6DBV Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs Deposited 2018-05-03 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 × 4 PDB declaration: octameric
Chain A 29–392（364 aa）
Chain C 29–392（364 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Solutions were made fresh from concentrated to avoid microbial contamination.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.29 Å R-free 0.433
6DBW Cryo-EM structure of RAG in complex with 12-RSS substrate DNA Deposited 2018-05-03 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 × 4 PDB declaration: hexameric
Chain A 29–392（364 aa）
Chain C 29–392（364 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Solutions were made fresh from concentrated to avoid microbial contamination.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.70 Å R-free 0.386
6DBX Cryo-EM structure of RAG in complex with 12-RSS substrate DNA Deposited 2018-05-03 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 × 4 PDB declaration: hexameric
Chain A 29–392（364 aa）
Chain C 29–392（364 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Solutions were made fresh from concentrated to avoid microbial contamination.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.20 Å R-free 0.421
6DM8 Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors Deposited 2018-06-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded 6AK 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；PEG6000, Bicine
Resolution 2.70 Å R-free 0.288
6DM8 Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors Deposited 2018-06-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–392（366 aa）
Not recorded 6AK 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；PEG6000, Bicine
Resolution 2.70 Å R-free 0.288
6DM8 Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors Deposited 2018-06-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–392（366 aa）
Not recorded 6AK 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；PEG6000, Bicine
Resolution 2.70 Å R-free 0.288
6DM8 Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors Deposited 2018-06-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain D 27–392（366 aa）
Not recorded 6AK 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；PEG6000, Bicine
Resolution 2.70 Å R-free 0.288
6DM8 Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors Deposited 2018-06-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain E 27–392（366 aa）
Not recorded 6AK 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；PEG6000, Bicine
Resolution 2.70 Å R-free 0.288
6DM8 Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors Deposited 2018-06-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain F 27–392（366 aa）
Not recorded 6AK 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；PEG6000, Bicine
Resolution 2.70 Å R-free 0.288
6DM8 Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors Deposited 2018-06-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 7 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain G 27–392（366 aa）
Not recorded 6AK 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；PEG6000, Bicine
Resolution 2.70 Å R-free 0.288
6DM8 Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors Deposited 2018-06-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain H 27–392（366 aa）
Not recorded 6AK 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；PEG6000, Bicine
Resolution 2.70 Å R-free 0.288
6HD8 Crystal structure of the potassium channel MtTMEM175 in complex with a Nanobody-MBP fusion protein Deposited 2018-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 8 PDB declaration: octameric
Chain A 32–392（361 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 4 K POTASSIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl pH 8.5, 150 mM NaCl, 150 mM MgCl2 and 28- 30% PEG400
Resolution 2.40 Å R-free 0.253
6HD9 Crystal structure of the potassium channel MtTMEM175 with rubidium Deposited 2018-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 8 PDB declaration: octameric
Chain A 32–392（361 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 4 RB RUBIDIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl pH 8.5, 150 mM NaCl, 150 mM MgCl2 and 28- 30% PEG400
Resolution 3.50 Å R-free 0.291
6HDA Crystal structure of the potassium channel MtTMEM175 with cesium Deposited 2018-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 8 PDB declaration: octameric
Chain A 32–392（361 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 4 CS CESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl pH 8.5, 150 mM NaCl, 150 mM MgCl2 and 28- 30% PEG400
Resolution 3.80 Å R-free 0.337
6HDB Crystal structure of the potassium channel MtTMEM175 with zinc Deposited 2018-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 8 PDB declaration: octameric
Chain A 32–392（361 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 4 K POTASSIUM ION × 8 ZN ZINC ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl pH 8.5, 150 mM NaCl, 150 mM MgCl2 and 28- 30% PEG400
Resolution 2.90 Å R-free 0.286
6HDC Crystal structure of the potassium channel MtTMEM175 T38A variant in complex with a Nanobody-MBP fusion protein Deposited 2018-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 8 PDB declaration: octameric
Chain A 32–392（361 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 4 K POTASSIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl pH 8.5, 150 mM NaCl, 150 mM MgCl2 and 28- 30% PEG400
Resolution 3.40 Å R-free 0.292
6K7D Crystal structure of MBPapo-Tim21 fusion protein with a 16-residue helical linker Deposited 2019-06-07 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–394（368 aa）
Mutation：A313V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M MMT, pH 6.0, 24% PEG 1500 (w/v), 0.01M Betaine hydrochloride (additive)
Resolution 2.00 Å R-free 0.229
6K7E Crystal structure of MBPapo-Tim21 fusion protein with a 17-residue helical linker Deposited 2019-06-07 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–394（368 aa）
Mutation：A313V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2M CaCl2, 0.1M HEPES, pH 7.0, 20% PEG 6000 (w/v)
Resolution 1.53 Å R-free 0.189
6K7F Crystal structure of MBPholo-Tim21 fusion protein with a 17-residue helical linker Deposited 2019-06-07 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–394（368 aa）
Mutation：A313V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2M K/Na Tartrate, 16% PEG 3350 (w/v), microseeds
Resolution 1.80 Å R-free 0.216
6KEA crystal structure of MBP-tagged REV7-IpaB complex Deposited 2019-07-04 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa）
Mutation：D83A/K84A/E173A/N174A/K240A/R485A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；100 mM Bistris, pH 5.6, 25% PEG3350
Resolution 2.35 Å R-free 0.226
6KEA crystal structure of MBP-tagged REV7-IpaB complex Deposited 2019-07-04 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–384（358 aa）
Mutation：D83A/K84A/E173A/N174A/K240A/R485A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；100 mM Bistris, pH 5.6, 25% PEG3350
Resolution 2.35 Å R-free 0.226
6KEA crystal structure of MBP-tagged REV7-IpaB complex Deposited 2019-07-04 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–384（358 aa）
Mutation：D83A/K84A/E173A/N174A/K240A/R485A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；100 mM Bistris, pH 5.6, 25% PEG3350
Resolution 2.35 Å R-free 0.226
6KEA crystal structure of MBP-tagged REV7-IpaB complex Deposited 2019-07-04 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain D 27–384（358 aa）
Mutation：D83A/K84A/E173A/N174A/K240A/R485A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；100 mM Bistris, pH 5.6, 25% PEG3350
Resolution 2.35 Å R-free 0.226
6KI0 Crystal Structure of Human ASC-CARD Deposited 2019-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa） Fragment：caspase recruitment domain
Mutation：D108A,K109A,E198A,N199A,K265A SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291.15 K；1.80 M Ammonium Sulfate, 0.1 M HEPES 7.0
Resolution 2.00 Å R-free 0.252
6KI0 Crystal Structure of Human ASC-CARD Deposited 2019-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–384（358 aa） Fragment：caspase recruitment domain
Mutation：D108A,K109A,E198A,N199A,K265A SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291.15 K；1.80 M Ammonium Sulfate, 0.1 M HEPES 7.0
Resolution 2.00 Å R-free 0.252
6LES 3D domain-swapped dimer of the maltose-binding protein fused to a fragment of the focal adhesion kinase Deposited 2019-11-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Mutation：surface entropy reduction mutant,D83A,K84A,E173A,N174A,K240A,E360A,K363A,D364A Mutation：surface entropy reduction mutant,D83A,K84A,E173A,N174A,K240A,E360A,K363A,D364A SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 10.5；298 K；2000mM Ammonium sulfate, 100mM CAPS/ Sodium hydroxide pH 10.5
Resolution 2.00 Å R-free 0.231
6LES 3D domain-swapped dimer of the maltose-binding protein fused to a fragment of the focal adhesion kinase Deposited 2019-11-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain X 27–392（366 aa）
Chain Y 27–392（366 aa）
Mutation：surface entropy reduction mutant,D83A,K84A,E173A,N174A,K240A,E360A,K363A,D364A Mutation：surface entropy reduction mutant,D83A,K84A,E173A,N174A,K240A,E360A,K363A,D364A SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 10.5；298 K；2000mM Ammonium sulfate, 100mM CAPS/ Sodium hydroxide pH 10.5
Resolution 2.00 Å R-free 0.231
6LF3 3D domain-swapped dimer of the maltose-binding protein fused to a fragment of the protein-tyrosine kinase 2-beta Deposited 2019-11-28 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Mutation：surface entropy reduction mutant, D83A,K84A,E173A,N174A,K240A,E360A,K363A,D364A Mutation：surface entropy reduction mutant, D83A,K84A,E173A,N174A,K240A,E360A,K363A,D364A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 10.5；298 K；30% (v/v) PEG 400, 0.1M CAPS/Sodium hydroxide
Resolution 3.20 Å R-free 0.284
6LF3 3D domain-swapped dimer of the maltose-binding protein fused to a fragment of the protein-tyrosine kinase 2-beta Deposited 2019-11-28 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Mutation：surface entropy reduction mutant, D83A,K84A,E173A,N174A,K240A,E360A,K363A,D364A Mutation：surface entropy reduction mutant, D83A,K84A,E173A,N174A,K240A,E360A,K363A,D364A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 10.5；298 K；30% (v/v) PEG 400, 0.1M CAPS/Sodium hydroxide
Resolution 3.20 Å R-free 0.284
6LF3 3D domain-swapped dimer of the maltose-binding protein fused to a fragment of the protein-tyrosine kinase 2-beta Deposited 2019-11-28 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 27–392（366 aa）
Chain F 27–392（366 aa）
Mutation：surface entropy reduction mutant, D83A,K84A,E173A,N174A,K240A,E360A,K363A,D364A Mutation：surface entropy reduction mutant, D83A,K84A,E173A,N174A,K240A,E360A,K363A,D364A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 10.5；298 K；30% (v/v) PEG 400, 0.1M CAPS/Sodium hydroxide
Resolution 3.20 Å R-free 0.284
6M4V Crystal structure of MBP fused split FKBP in complex with rapamycin Deposited 2020-03-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Mutation：K-131A, N-197A, E-198A, K-287A, D-288A RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Na-HEPES buffer (pH 7.5), 20% (w/v) PEG 8000
Resolution 2.92 Å R-free 0.298
6M4V Crystal structure of MBP fused split FKBP in complex with rapamycin Deposited 2020-03-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 27–392（366 aa）
Mutation：K-131A, N-197A, E-198A, K-287A, D-288A RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Na-HEPES buffer (pH 7.5), 20% (w/v) PEG 8000
Resolution 2.92 Å R-free 0.298
6M4W Crystal structure of MBP fused split FKBP-FRB T2098L mutant in complex with rapamycin Deposited 2020-03-09 Different construct Different mutation/modification 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 27–392（366 aa）
Mutation：D-288A, K-287A, E-198A, N-197A, K-131A RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl buffer (pH 7.0), 200 mM calcium acetate and 20% (w/v) PEG 3000
Resolution 3.11 Å R-free 0.278
6M4W Crystal structure of MBP fused split FKBP-FRB T2098L mutant in complex with rapamycin Deposited 2020-03-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 27–392（366 aa）
Mutation：D-288A, K-287A, E-198A, N-197A, K-131A RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl buffer (pH 7.0), 200 mM calcium acetate and 20% (w/v) PEG 3000
Resolution 3.11 Å R-free 0.278
6M4W Crystal structure of MBP fused split FKBP-FRB T2098L mutant in complex with rapamycin Deposited 2020-03-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 27–392（366 aa）
Mutation：D-288A, K-287A, E-198A, N-197A, K-131A RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl buffer (pH 7.0), 200 mM calcium acetate and 20% (w/v) PEG 3000
Resolution 3.11 Å R-free 0.278
6NDJ Crystal structure of human NLRP6 PYD domain with MBP fusion Deposited 2018-12-13 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–387（359 aa） Fragment：MBP (UNP residues 29-387) + PYD domain (UNP residues 14-106)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M lithium sulfate, 0.1 M Bis-Tris, pH 6.5, 25% PEG3350
Resolution 2.27 Å R-free 0.229
6NDJ Crystal structure of human NLRP6 PYD domain with MBP fusion Deposited 2018-12-13 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 29–387（359 aa） Fragment：MBP (UNP residues 29-387) + PYD domain (UNP residues 14-106)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M lithium sulfate, 0.1 M Bis-Tris, pH 6.5, 25% PEG3350
Resolution 2.27 Å R-free 0.229
6SIV Structure of HPV16 E6 oncoprotein in complex with mutant IRF3 LxxLL motif Deposited 2019-08-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 26–387（362 aa）
Mutation：;K84A,K240A,E360A,K363A,D364A,N2146E,M2147E,V2148R,K84A,K240A,E360A,K363A,D364A,N2146E,M2147E,V2148R,K84A,K240A,E360A,K363A,D364A,N2146E,M2147E,V2148R,K84A,K240A,E360A,K363A,D364A,N2146E,M2147E,V2148R ; ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；PEG 1500 30%
Resolution 1.75 Å R-free 0.220
6SJA Structure of HPV16 E6 oncoprotein in complex with IRF3 LxxLL motif Deposited 2019-08-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–387（361 aa）
Mutation：E360A,K363A,D364A,K84A,K240A ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.8；298 K；PEG 1500 30%
Resolution 1.50 Å R-free 0.191
6SLM Crystal structure of full-length HPV31 E6 oncoprotein in complex with LXXLL peptide of ubiquitin ligase E6AP Deposited 2019-08-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–396（371 aa）
Not recorded ZN ZINC ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；200mM tri-lithium citrate, 20% PEG 33350 protein concentration: 30mg/ml cryo condition: 35% glycerol
Resolution 2.80 Å R-free 0.268
6SMV Structure of HPV49 E6 protein in complex with MAML1 LxxLL motif Deposited 2019-08-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–392（367 aa）
Mutation：K84A,K240A,E360A,K363A,D364A,C1008A ZN ZINC ION × 2 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.8；277 K；Lithium Acetate 200mM, PEG 3350 22.5%
Resolution 2.14 Å R-free 0.255
6SQC Crystal structure of complex between nuclear coactivator binding domain of CBP and [1040-1086]ACTR containing alpha-methylated Leu1055 and Leu1076 Deposited 2019-09-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–396（370 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；20% PEG6000, 100 mM Tris pH 8 and 10 mM ZnCl2
Resolution 2.28 Å R-free 0.274
6SWR Crystal structure of the lysosomal potassium channel MtTMEM175 T38A mutant soaked with zinc Deposited 2019-09-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–395（395 aa）
Chain D 1–395（395 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 4 K POTASSIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl pH 8.5, 150 mM NaCl, 150 mM MgCl2 and 28-30 % PEG400
Resolution 3.20 Å R-free 0.299
6TZC Crystal Structure of African Swine Fever Virus A179L with the Autophagy Regulator Beclin Deposited 2019-08-12 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.2M Ammonium sulfate, 0.1M Bis-Tris pH 5.5, 25% PEG 3350
Resolution 2.41 Å R-free 0.253
6V2E Crystal structure of the human CLR:RAMP2 extracellular domain heterodimer with bound high-affinity adrenomedullin S45R/K46L/S48G/Q50W variant Deposited 2019-11-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 26–392（367 aa）
Mutation：L106R,RAMP2 L106R FMT FORMIC ACID × 3 NH2 AMINO GROUP × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；293 K；20% PEG MME 5000, 0.1 M sodium HEPEs pH 8.2, 150 mM sodium formate, 3% (v/v) dimethyl sulfoxide
Resolution 1.83 Å R-free 0.190
6VLS Structure of C-terminal fragment of Vip3A toxin Deposited 2020-01-25 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 27–392（366 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.2；291 K；0.1 M sodium acetate pH 4.2, 0.5 M potassium formate, 0.1 M ammonium sulfate and 11% PEG4000
Resolution 3.20 Å R-free 0.239
6VLS Structure of C-terminal fragment of Vip3A toxin Deposited 2020-01-25 Different construct Different mutation/modification 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 27–392（366 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.2；291 K；0.1 M sodium acetate pH 4.2, 0.5 M potassium formate, 0.1 M ammonium sulfate and 11% PEG4000
Resolution 3.20 Å R-free 0.239
6VLS Structure of C-terminal fragment of Vip3A toxin Deposited 2020-01-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–392（366 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.2；291 K；0.1 M sodium acetate pH 4.2, 0.5 M potassium formate, 0.1 M ammonium sulfate and 11% PEG4000
Resolution 3.20 Å R-free 0.239
6VLS Structure of C-terminal fragment of Vip3A toxin Deposited 2020-01-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain D 27–392（366 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.2；291 K；0.1 M sodium acetate pH 4.2, 0.5 M potassium formate, 0.1 M ammonium sulfate and 11% PEG4000
Resolution 3.20 Å R-free 0.239
6XRX Crystal structure of the mosquito protein AZ1 as an MBP fusion Deposited 2020-07-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa）
Mutation：surface entropy reduction mutations in MBP NA SODIUM ION × 2 EDO 1,2-ETHANEDIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；20% PEG 1000, 50mM MES, 100mM NaCl, 200mM MgCl2
Resolution 1.95 Å R-free 0.201
6YSN Human TRPC5 in complex with Pico145 (HC-608) Deposited 2020-04-22 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 Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded PJQ 7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å
6ZHO Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor Deposited 2020-06-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–392（367 aa）
Not recorded QLQ ~{N}-[(2~{R})-3-(7-methyl-2~{H}-indazol-5-yl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-2-oxidanylidene-spiro[1~{H}-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide × 1 PG4 TETRAETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M BIS-TRIS pH 5.5, 0.1 M ammonium acetate, 15 % PEG 10,000
Resolution 1.60 Å R-free 0.214
6ZIS Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor Deposited 2020-06-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–392（367 aa）
Not recorded PG4 TETRAETHYLENE GLYCOL × 3 3N6 N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide × 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 ammonium acetate, 15 % PEG 10,000
Resolution 1.73 Å R-free 0.244
7BG0 Fusion of MBP and the backbone of the long-acting amylin analog AM833. Deposited 2021-01-05 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–387（361 aa）
Chain B 27–387（361 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；20mM Tris pH 7.4, 50mM NaCl, 0.02 M magnesium chloride, 0.1 M HEPES pH 7.5, 22 %(w/v) polyacrylic acid 5100 sodium salt
Resolution 2.89 Å R-free 0.279
7BG0 Fusion of MBP and the backbone of the long-acting amylin analog AM833. Deposited 2021-01-05 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain D 27–387（361 aa）
Chain E 27–387（361 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；20mM Tris pH 7.4, 50mM NaCl, 0.02 M magnesium chloride, 0.1 M HEPES pH 7.5, 22 %(w/v) polyacrylic acid 5100 sodium salt
Resolution 2.89 Å R-free 0.279
7DD9 Cryo-EM structure of the Ams1 and Nbr1 complex Deposited 2020-10-28 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 Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain C 27–392（366 aa）
Chain E 27–392（366 aa）
Chain G 27–392（366 aa）
Not recorded ZN ZINC ION × 12 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；blot for 5 seconds before plunging
Resolution 2.40 Å
7DDE Cryo-EM structure of the Ape4 and Nbr1 complex Deposited 2020-10-28 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 Homooligomer；Protein × 12 PDB declaration: dodecameric
Chain A 27–392（366 aa）
Chain C 27–392（366 aa）
Chain E 27–392（366 aa）
Chain G 27–392（366 aa）
Chain I 27–392（366 aa）
Chain K 27–392（366 aa）
Chain M 27–392（366 aa）
Chain O 27–392（366 aa）
Chain Q 27–392（366 aa）
Chain S 27–392（366 aa）
Chain V 27–392（366 aa）
Chain X 27–392（366 aa）
Not recorded ZN ZINC ION × 48 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；blot for 5 seconds before plunging
Resolution 2.26 Å
7E29 Crystal Structure of Saccharomyces cerevisiae Ioc4 PWWP domain fused with MBP Deposited 2021-02-05 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：E385A, K388A, D389A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；Potassium thiocyanate, Polyethylene glycol monomethyl ether 2000
Resolution 2.30 Å R-free 0.229
7JTR Complex of maltose-binding protein (MBP) with single-chain Fv (scFv) Deposited 2020-08-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–395（369 aa）
Not recorded CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；277 K；0.2 M ammonium sulfate, 20% v/v PEG 4000
Resolution 2.50 Å R-free 0.237
7JTR Complex of maltose-binding protein (MBP) with single-chain Fv (scFv) Deposited 2020-08-18 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 27–395（369 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；277 K；0.2 M ammonium sulfate, 20% v/v PEG 4000
Resolution 2.50 Å R-free 0.237
7JTR Complex of maltose-binding protein (MBP) with single-chain Fv (scFv) Deposited 2020-08-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 27–395（369 aa）
Not recorded CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；277 K；0.2 M ammonium sulfate, 20% v/v PEG 4000
Resolution 2.50 Å R-free 0.237
7JTR Complex of maltose-binding protein (MBP) with single-chain Fv (scFv) Deposited 2020-08-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 27–395（369 aa）
Not recorded CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；277 K；0.2 M ammonium sulfate, 20% v/v PEG 4000
Resolution 2.50 Å R-free 0.237
7K48 Structure of NavAb/Nav1.7-VS2A chimera trapped in the resting state by tarantula toxin m3-Huwentoxin-IV Deposited 2020-09-15 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 8 PDB declaration: octameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Mutation：R398A,L506A,M513V Mutation：R398A,L506A,M513V Mutation：R398A,L506A,M513V Mutation：R398A,L506A,M513V No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；Blot for 2.5-4.0 seconds before plunging
Resolution 3.60 Å
7MHW Crystal structure of the protease inhibitor U-Omp19 from Brucella abortus fused to Maltose-binding protein Deposited 2021-04-15 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 27–392（366 aa）
Mutation：D(-233)A,K(-232)A,K(-76)A,E44A,K47A,D48A SO4 SULFATE ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；294 K；2.4 M ammonium sulfate, 0.1 M sodium citrate
Resolution 2.55 Å R-free 0.242
7MN5 Structure of the HER2/HER3/NRG1b Heterodimer Extracellular Domain Deposited 2021-04-30 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 × 3 PDB declaration: trimeric
Chain B 27–392（366 aa） Fragment：Extracellular Domain
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.93 Å
7MN6 Structure of the HER2 S310F/HER3/NRG1b Heterodimer Extracellular Domain Deposited 2021-04-30 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 × 3 PDB declaration: trimeric
Chain B 27–392（366 aa） Fragment：Extracellular Domain
Mutation：S310F NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.09 Å
7MN8 Structure of the HER2/HER3/NRG1b Heterodimer Extracellular Domain bound to Trastuzumab Fab Deposited 2021-04-30 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 × 5 PDB declaration: pentameric
Chain B 27–392（366 aa）
Mutation：S310F NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.45 Å
7NZM Cryo-EM structure of pre-dephosphorylation complex of phosphorylated eIF2alpha with trapped holophosphatase (PP1A_D64A/PPP1R15A/G-actin/DNase I) Deposited 2021-03-24 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 × 5 PDB declaration: pentameric
Chain C 26–396（371 aa）
Not recorded MN MANGANESE (II) ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4；0.22mM Triton X-100 was added into the solution before plunging.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.96 Å
7O2W Structure of the C9orf72-SMCR8 complex Deposited 2021-03-31 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.80 Å
7P0F Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0028125 Deposited 2021-06-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–392（367 aa）
Not recorded 7IR (1S,10R,23E)-12-methyl-10-[(7-methyl-1H-indazol-5-yl)methyl]-15,18,21-trioxa-5,9,12,27,29-pentazapentacyclo[23.5.2.11,4.13,7.028,31]tetratriaconta-3(33),4,6,23,25(32),26,28(31)-heptaene-8,11,30-trione × 1 PG4 TETRAETHYLENE GLYCOL × 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 AMMONIUM ACETATE, 15 % PEG 10,000
Resolution 1.85 Å R-free 0.249
7P0I Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor Compound 13 Deposited 2021-06-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–392（367 aa）
Not recorded PG4 TETRAETHYLENE GLYCOL × 2 7IU (1S,20E)-10-(benzofuran-3-ylmethyl)-12-methyl-15,18-dioxa-5,9,12,24,26-pentazapentacyclo[20.5.2.11,4.13,7.025,28]hentriaconta-3(30),4,6,20,22(29),23,25(28)-heptaene-8,11,27-trione × 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 ammonium acetate, 15 % PEG 10,000
Resolution 2.30 Å R-free 0.251
7P1G Structure of the P. aeruginosa ExoY-F-actin complex Deposited 2021-07-01 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 × 15 PDB declaration: pentadecameric
Chain K 27–392（366 aa）
Chain L 27–392（366 aa）
Chain M 27–392（366 aa）
Chain N 27–392（366 aa）
Chain O 27–392（366 aa）
Not recorded MG MAGNESIUM ION × 10 GH3 3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE × 5 ADP ADENOSINE-5'-DIPHOSPHATE × 5 PO4 PHOSPHATE ION × 5 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.20 Å
7P1H Structure of the V. vulnificus ExoY-G-actin-profilin complex Deposited 2021-07-01 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 × 3 PDB declaration: trimeric
Chain A 27–392（366 aa）
Not recorded CA CALCIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.90 Å
7RW6 BORF2-APOBEC3Bctd Complex Deposited 2021-08-19 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 × 4 PDB declaration: tetrameric
Chain A 27–384（358 aa）
Chain C 27–384（358 aa）
Mutation：K-131A, N -197A, E -198A, K-287A, D-288A Mutation：K-131A, N -197A, E -198A, K-287A, D-288A ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.55 Å
7T31 X-ray Structure of Clostridiodies difficile PilW Deposited 2021-12-06 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；280 K；0.1M Hepes pH 7.5, 25% Peg 3350, 0.0375M NaCl, 0.2M CsCl2, 2% ethanol
Resolution 2.30 Å R-free 0.245
7T31 X-ray Structure of Clostridiodies difficile PilW Deposited 2021-12-06 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–393（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；280 K；0.1M Hepes pH 7.5, 25% Peg 3350, 0.0375M NaCl, 0.2M CsCl2, 2% ethanol
Resolution 2.30 Å R-free 0.245
7T31 X-ray Structure of Clostridiodies difficile PilW Deposited 2021-12-06 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–393（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；280 K；0.1M Hepes pH 7.5, 25% Peg 3350, 0.0375M NaCl, 0.2M CsCl2, 2% ethanol
Resolution 2.30 Å R-free 0.245
7T31 X-ray Structure of Clostridiodies difficile PilW Deposited 2021-12-06 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain D 27–393（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；280 K；0.1M Hepes pH 7.5, 25% Peg 3350, 0.0375M NaCl, 0.2M CsCl2, 2% ethanol
Resolution 2.30 Å R-free 0.245
7TSZ BamABCDE bound to substrate EspP class 1 Deposited 2022-01-31 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric
Chain P 26–392（367 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.50 Å
7TT0 BamABCDE bound to substrate EspP class 2 Deposited 2022-01-31 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain P 26–392（367 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.30 Å
7TT1 BamABCDE bound to substrate EspP class 4 Deposited 2022-01-31 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric
Chain P 26–392（367 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.30 Å
7TT2 BamABCDE bound to substrate EspP class 3 Deposited 2022-01-31 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric
Chain P 26–392（367 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.20 Å
7TT3 BamABCDE bound to substrate EspP class 5 Deposited 2022-01-31 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric
Chain P 26–392（367 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.30 Å
7TT4 BamABCDE bound to substrate EspP class 6 Deposited 2022-01-31 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric
Chain P 26–392（367 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.20 Å
7TT5 BamABCDE bound to substrate EspP in the open-sheet EspP state Deposited 2022-01-31 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain P 26–392（367 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.30 Å
7TT6 BamABCDE bound to substrate EspP in the intermediate-open EspP state Deposited 2022-01-31 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain P 26–392（367 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.30 Å
7TT7 BamABCDE bound to substrate EspP in the barrelized EspP/continuous open BamA state Deposited 2022-01-31 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain P 26–392（367 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.80 Å
7UAJ Crystal structure of apo HPV16 E6 Deposited 2022-03-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded ZN ZINC ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M HEPES, 8% ethylene glycol and 10% PEG 8000 at pH 7.5
Resolution 3.25 Å R-free 0.282
7VGQ Cryo-EM structure of Machupo virus polymerase L in complex with matrix protein Z Deposited 2021-09-18 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 × 2 PDB declaration: dimeric
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.00 Å
7VH1 Cryo-EM structure of Machupo virus dimeric L-Z complex Deposited 2021-09-20 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 × 2 PDB declaration: dimeric
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.20 Å
7VQO Cryo-EM structure of Ams1 bound to the FW domain of Nbr1 Deposited 2021-10-20 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 Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded ZN ZINC ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；blot for 3 seconds before plunging
Resolution 2.19 Å
7WR3 Crystal structure of MBP-fused OspC3 in complex with calmodulin Deposited 2022-01-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–384（358 aa）
Not recorded SO4 SULFATE ION × 2 NCA NICOTINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG3350, 0.1 M Tris pH 8.2-8.4, 0.2 M Lithium Sulfate, 0.7% 1-Butanol
Resolution 1.87 Å R-free 0.228
7WR3 Crystal structure of MBP-fused OspC3 in complex with calmodulin Deposited 2022-01-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–384（358 aa）
Not recorded SO4 SULFATE ION × 2 NCA NICOTINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG3350, 0.1 M Tris pH 8.2-8.4, 0.2 M Lithium Sulfate, 0.7% 1-Butanol
Resolution 1.87 Å R-free 0.228
7XQC Crystal structure of N-terminal domain of Rv2908c fused with Maltose Binding Protein (MBP) Deposited 2022-05-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain C 27–392（366 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；291.15 K；20 mM Na/K Phosphate, 20% (v/v) PEG 3350
Resolution 2.80 Å R-free 0.254
7XQC Crystal structure of N-terminal domain of Rv2908c fused with Maltose Binding Protein (MBP) Deposited 2022-05-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；291.15 K；20 mM Na/K Phosphate, 20% (v/v) PEG 3350
Resolution 2.80 Å R-free 0.254
7Y5Q Structure of 1:1 PAPP-A.STC2 complex(half map) Deposited 2022-06-17 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 × 3 PDB declaration: trimeric
Chain A 29–392（364 aa）
Chain B 29–392（364 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.80 Å
7Z7H Structure of P. luminescens TccC3-F-actin complex Deposited 2022-03-15 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 × 6 PDB declaration: hexameric
Chain F 27–392（366 aa）
Not recorded ADP ADENOSINE-5'-DIPHOSPHATE × 5 MG MAGNESIUM ION × 5 APR ADENOSINE-5-DIPHOSPHORIBOSE × 1 NCA NICOTINAMIDE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.80 Å
8AG0 Crystal structure of mutant PRELID3a-TRIAP1 complex - R53E Deposited 2022-07-18 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–387（361 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；293.15 K；Sodium acetate pH 4.6, 8% (w/v) PEG 4000
Resolution 2.70 Å R-free 0.304
8AX5 Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0029881 Deposited 2022-08-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–392（367 aa）
Not recorded OKU (1~{R},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3,5,7(30),20,22,24,28-heptaene-8,11,27-trione × 1 PG4 TETRAETHYLENE GLYCOL × 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 ammonium acetate, 15 % PEG 10,000
Resolution 2.75 Å R-free 0.277
8AX6 Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0029882 Deposited 2022-08-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–392（367 aa）
Not recorded OP9 (1~{S},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione × 1 PG4 TETRAETHYLENE GLYCOL × 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 AMMONIUM ACETATE, 15 % PEG 10,000
Resolution 1.90 Å R-free 0.244
8AX7 Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0031448 Deposited 2022-08-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–392（367 aa）
Not recorded PG4 TETRAETHYLENE GLYCOL × 1 OL0 (1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione × 1 ACT ACETATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M BIS-TRIS pH 5.5, 0.1 M ammonium acetate, 15 % PEG 10,000
Resolution 1.65 Å R-free 0.251
8AX8 Human Apolipoprotein E4 (ApoE4) N-terminal domain (space group P3121) Deposited 2022-08-31 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–392（369 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293.15 K；HEPES, PEG3350
Resolution 1.55 Å R-free 0.231
8AX9 Human Apolipoprotein E4 (ApoE4) N-terminal domain (space group P212121) Deposited 2022-08-31 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–392（369 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293.15 K；HEPES, PEG3350
Resolution 1.55 Å R-free 0.195
8C5L NR2F6 ligand binding domain in complex with NSD1 peptide Deposited 2023-01-09 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A in Maltose/maltodextrin-binding periplasmic protein (Uniprot ID P0AEX9) Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A in Maltose/maltodextrin-binding periplasmic protein (Uniprot ID P0AEX9) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；90 mM SPG pH 8.0, 22.5% w/v PEG1500, 100 mM potassium chloride
Resolution 2.60 Å R-free 0.233
8CR9 Cryo-EM structure of PcrV/Fab(30-B8) Deposited 2023-03-08 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 29–384（356 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4；1xPBS
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 4.20 Å
8CRB Cryo-EM structure of PcrV/Fab(11-E5) Deposited 2023-03-08 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 29–384（356 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4；1xPBS
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 4.60 Å
8EKX Structure of MBP-Mcl-1 in complex with MIK665 Deposited 2022-09-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：K194A,K197A,R201A OK5 (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；290 K；30% (w/v) PEG 3350, 0.1 M magnesium formate
Resolution 1.55 Å R-free 0.214
8EL0 Structure of MBP-Mcl-1 in complex with a macrocyclic compound Deposited 2022-09-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：K194A,K197A,R201A WLW (7R,20P)-18-chloro-1-(4-fluorophenyl)-10-{[(2M)-2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}-19-methyl-15-[2-(4-methylpiperazin-1-yl)ethyl]-7,8,15,16-tetrahydro-14H-17,20-etheno-9,13-(metheno)-6-oxa-2-thia-3,5,15-triazacyclooctadeca[1,2,3-cd]indene-7-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；290 K；26% (w/v) PEG 3350, 0.05 M magnesium formate
Resolution 1.92 Å R-free 0.224
8EL1 Structure of MBP-Mcl-1 in complex with ABBV-467 Deposited 2022-09-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：K194A,K197A,R201A WME (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；290 K；25% (w/v) PEG 1500, 0.1 M MIB pH 6.0 (MIB is sodium malonate dibasic monohydrate, imidazole, boric acid)
Resolution 2.41 Å R-free 0.291
8EL1 Structure of MBP-Mcl-1 in complex with ABBV-467 Deposited 2022-09-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–392（366 aa）
Mutation：K194A,K197A,R201A WME (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；290 K；25% (w/v) PEG 1500, 0.1 M MIB pH 6.0 (MIB is sodium malonate dibasic monohydrate, imidazole, boric acid)
Resolution 2.41 Å R-free 0.291
8EL1 Structure of MBP-Mcl-1 in complex with ABBV-467 Deposited 2022-09-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–392（366 aa）
Mutation：K194A,K197A,R201A WME (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；290 K；25% (w/v) PEG 1500, 0.1 M MIB pH 6.0 (MIB is sodium malonate dibasic monohydrate, imidazole, boric acid)
Resolution 2.41 Å R-free 0.291
8EL1 Structure of MBP-Mcl-1 in complex with ABBV-467 Deposited 2022-09-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain D 27–392（366 aa）
Mutation：K194A,K197A,R201A WME (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；290 K；25% (w/v) PEG 1500, 0.1 M MIB pH 6.0 (MIB is sodium malonate dibasic monohydrate, imidazole, boric acid)
Resolution 2.41 Å R-free 0.291
8FNE phiPA3 PhuN Tetramer, p2 Deposited 2022-12-27 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 8 PDB declaration: octameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Chain E 27–392（366 aa）
Chain F 27–392（366 aa）
Chain G 27–392（366 aa）
Chain H 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 6.5；0.25 cOmplete Protease Inhibitor Tablet also included
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.90 Å
8FV5 Representation of 16-mer phiPA3 PhuN Lattice, p2 Deposited 2023-01-18 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 32 PDB declaration: 32-meric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Chain E 27–392（366 aa）
Chain F 27–392（366 aa）
Chain G 27–392（366 aa）
Chain H 27–392（366 aa）
Chain I 27–392（366 aa）
Chain J 27–392（366 aa）
Chain K 27–392（366 aa）
Chain L 27–392（366 aa）
Chain M 27–392（366 aa）
Chain N 27–392（366 aa）
Chain O 27–392（366 aa）
Chain P 27–392（366 aa）
Chain Q 27–392（366 aa）
Chain R 27–392（366 aa）
Chain S 27–392（366 aa）
Chain T 27–392（366 aa）
Chain U 27–392（366 aa）
Chain V 27–392（366 aa）
Chain W 27–392（366 aa）
Chain X 27–392（366 aa）
Chain Y 27–392（366 aa）
Chain Z 27–392（366 aa）
Chain a 27–392（366 aa）
Chain b 27–392（366 aa）
Chain c 27–392（366 aa）
Chain d 27–392（366 aa）
Chain e 27–392（366 aa）
Chain f 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 6.5；0.25 cOmplete Protease Inhibitor Tablet also included
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.21 Å
8G8W Molecular mechanism of nucleotide inhibition of human uncoupling protein 1 Deposited 2023-02-20 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 × 3 PDB declaration: trimeric
Chain B 33–392（360 aa）
Chain C 33–392（360 aa）
Not recorded GTP GUANOSINE-5'-TRIPHOSPHATE × 1 CDL CARDIOLIPIN × 3 ELECTRON MICROSCOPY
cryo-EM buffer pH 6
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.80 Å
8HGH Structure of 2:2 PAPP-A.STC2 complex Deposited 2022-11-14 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 × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.16 Å
8HLB Cryo-EM structure of biparatopic antibody Bp109-92 in complex with TNFR2 Deposited 2022-11-29 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 27–391（365 aa）
Mutation：A490V No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4；1x PBS
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.63 Å
8J25 Crystal structure of PML B-box2 mutant Deposited 2023-04-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：C213A,A216V ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；22% PEG 3350
Resolution 2.60 Å R-free 0.248
8J2P Crystal structure of PML B-box2 Deposited 2023-04-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain E 27–392（366 aa）
Not recorded ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；20% PEG 3350
Resolution 2.09 Å R-free 0.235
8J2P Crystal structure of PML B-box2 Deposited 2023-04-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；20% PEG 3350
Resolution 2.09 Å R-free 0.235
8JI0 Cryo-EM structure of the TcsH-CROP in complex with TMPRSS2 Deposited 2023-05-25 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å
8JXR Structure of nanobody-bound DRD1_LSD complex Deposited 2023-07-01 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 × 5 PDB declaration: pentameric
Chain C 27–394（368 aa）
Mutation：E360Q,K363A,D364F,T367I,R368L 7LD (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.57 Å
8JXS Structure of nanobody-bound DRD1_PF-6142 complex Deposited 2023-07-01 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 × 5 PDB declaration: pentameric
Chain C 27–394（368 aa）
Mutation：E360Q,K363A,D364F,T367I,R368L,D404E,A405H V6X 4-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]furo[3,2-c]pyridine × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å
8QSO Crystal structure of human Mcl-1 in complex with compound 1 Deposited 2023-10-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded WXW (13S,16R,19S)-16-benzyl-43-ethoxy-N-methyl-7,11,14,17-tetraoxo-13-phenyl-5-oxa-2,8,12,15,18-pentaaza-1(1,4),4(1,2)-dibenzena-9(1,4)-cyclohexanacycloicosaphane-19-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；1.94 M Ammonium Citrate pH 7.0
Resolution 2.11 Å R-free 0.250
8SBU Crystal structure of MBP fusion with HPPK from Methanocaldococcus jannaschii Deposited 2023-04-04 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–396（396 aa）
Mutation：D89A,K90A,E179A,N180A,K246A,E366A,K369A,D370A,R374N,I375A,T376A,K377A,I376A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；Lithium sulphate, PEG400
Resolution 2.20 Å R-free 0.274
8SBU Crystal structure of MBP fusion with HPPK from Methanocaldococcus jannaschii Deposited 2023-04-04 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–396（396 aa）
Mutation：D89A,K90A,E179A,N180A,K246A,E366A,K369A,D370A,R374N,I375A,T376A,K377A,I376A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；Lithium sulphate, PEG400
Resolution 2.20 Å R-free 0.274
8T6F Crystal structure of human MBP-Myeloid cell leukemia 1 (Mcl-1) in complex with BRD810 inhibitor Deposited 2023-06-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded MG MAGNESIUM ION × 1 YI7 (3aM,9S,15R)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)oxy]propyl}-2-methyl-15-[2-(morpholin-4-yl)ethyl]-2,10,11,12,13,15-hexahydropyrazolo[4',3':9,10][1,6]oxazacycloundecino[8,7,6-hi]indole-8-carboxylic acid × 1 DMS DIMETHYL SULFOXIDE × 1 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；3.75 mg/mL MBP-MCL1, 17.5 mM HEPES pH 7.5, 8% PEG 3350, 5% MPD, 5% DMSO, 2.5% PEG400, 75mM NaCl, 25mM Magnesium Formate, 0.75mM DTT, 0.75 mM Maltose, 0.5mM ANJ810, 0.375% glycerol, ~10-4 diluted microseeds, equilibrated against 1.5M NaCl in a EasyXtal 15-Well DropGuard Crystallization Tool
Resolution 1.56 Å R-free 0.218
8TLV Crystal structure of MBP and AF9 AHD fusion protein 4AQK in complex with peptidomimetic inhibitor 28 Deposited 2023-07-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Not recorded GSH Glutathione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20-30% PEG3350, 0.1 M HEPES pH 7.5, and 0.2 M ammonium acetate
Resolution 2.66 Å R-free 0.246
8TLW Crystal structure of MBP and AF9 AHD fusion protein 3AQA in complex with peptidomimetic inhibitor 28 Deposited 2023-07-27 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20-30% PEG3350, 0.1 M Bis-Tris pH 5.5
Resolution 2.11 Å R-free 0.213
8TLX Crystal structure of MBP and AF9 AHD fusion protein 3AQA in complex with peptidomimetic inhibitor 21a Deposited 2023-07-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20-30% PEG3350 and 0.1 M Bis-Tris pH 5.5
Resolution 2.10 Å R-free 0.227
8TNP Cryo-EM structure of DDB1dB:CRBN:Pomalidomide:SD40 Deposited 2023-08-02 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 × 3 PDB declaration: trimeric
Chain C 27–396（370 aa）
Mutation：engineered to enhance binding of cereblon/DDB1 in the presence of IMiD derivatives ZN ZINC ION × 2 Y70 S-Pomalidomide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7；20 mM HEPES/NaOH pH 7.0, 150 mM NaCl, and 3 mM TCEP. DMSO concentrations were kept below 2% (v/v)
cryo-EM vitrification conditions Cryogen ETHANE；Leica EM-GP plunge freezer with chamber conditions of 10 C and 90% relative humidity. Grids were first pre-incubated with 4 uL of 10 uM CRBN-agnostic IKZF1_140-196_Q146A,G151N for 1 minute and then blotted from behind for 4 s. Immediately, 4 uL of mixture 1 diluted 10-fold--with the dilution buffer during the 1-minute incubation time--was applied to the grids before blotting for 4 s and plunging into liquid ethane at -181 C.
Resolution 3.30 Å
8TNQ Cryo-EM structure of DDB1dB:CRBN:PT-179:SD40, conformation 1 Deposited 2023-08-02 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 × 3 PDB declaration: trimeric
Chain C 27–396（370 aa）
Mutation：engineered to enhance binding of cereblon/DDB1 in the presence of IMiD derivatives ZN ZINC ION × 2 MIQ 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7；20 mM HEPES/NaOH pH 7.0, 150 mM NaCl, and 3 mM TCEP. DMSO concentrations were kept below 2% (v/v)
cryo-EM vitrification conditions Cryogen ETHANE；Leica EM-GP plunge freezer with chamber conditions of 10 C and 90% relative humidity. Grids were first pre-incubated with 4 uL of 10 uM CRBN-agnostic IKZF1_140-196_Q146A,G151N for 1 minute and then blotted from behind for 4 s. Immediately, 4 uL of mixture 1 diluted 10-fold--with the dilution buffer during the 1-minute incubation time--was applied to the grids before blotting for 4 s and plunging into liquid ethane at -181 C.
Resolution 2.41 Å
8TNR Cryo-EM structure of DDB1dB:CRBN:PT-179:SD40, conformation 2 Deposited 2023-08-02 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 × 3 PDB declaration: trimeric
Chain C 27–396（370 aa）
Mutation：engineered to enhance binding of cereblon/DDB1 in the presence of IMiD derivatives ZN ZINC ION × 2 MIQ 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7；20 mM HEPES/NaOH pH 7.0, 150 mM NaCl, and 3 mM TCEP. DMSO concentrations were kept below 2% (v/v)
cryo-EM vitrification conditions Cryogen ETHANE；Leica EM-GP plunge freezer with chamber conditions of 10 C and 90% relative humidity. Grids were first pre-incubated with 4 uL of 10 uM CRBN-agnostic IKZF1_140-196_Q146A,G151N for 1 minute and then blotted from behind for 4 s. Immediately, 4 uL of mixture 1 diluted 10-fold--with the dilution buffer during the 1-minute incubation time--was applied to the grids before blotting for 4 s and plunging into liquid ethane at -181 C.
Resolution 2.50 Å
8VG0 Cryo-EM structure of GATA4 in complex with ALBN1 nucleosome Deposited 2023-12-22 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: undecameric
Chain T 27–392（366 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.07 Å
8VG1 Cryo-EM structure of FoxA1 and GATA4 in complex with ALBN1 nucleosome Deposited 2023-12-22 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 × 10 PDB declaration: dodecameric
Chain T 27–392（366 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.48 Å
8VRS Mucin 16 peptide fused to MBP in complex with 4H11-scFv antibody Deposited 2024-01-22 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa） Fragment：residues 14421-14446 of mucin-16
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；0.1M Sodium Citrate, pH 5.0, 10mM Barium Chloride, 27% PEG MME 5000
Resolution 2.47 Å R-free 0.237
8VRS Mucin 16 peptide fused to MBP in complex with 4H11-scFv antibody Deposited 2024-01-22 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–392（366 aa） Fragment：residues 14421-14446 of mucin-16
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；0.1M Sodium Citrate, pH 5.0, 10mM Barium Chloride, 27% PEG MME 5000
Resolution 2.47 Å R-free 0.237
8VWX Human Bcl-2 (G101V Mutant)/Bcl-xL Chimera Fused to Maltose-Binding Protein Deposited 2024-02-02 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：G101V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；100 mM Tris (pH 8.5), 25% PEG 3350, and 200 mM sodium chloride
Resolution 1.77 Å R-free 0.225
8VWZ Human Bcl-2 (G101V Mutant)/Bcl-xL Chimera Fused to MBP in Complex with Inhibitor S55746 Deposited 2024-02-02 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 27–392（366 aa）
Mutation：G101V F3Q ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；100 mM bis-tris (pH 5.5), 2 M ammonium sulfate
Resolution 2.33 Å R-free 0.256
8VXM Human Bcl-2/Bcl-xL Chimera Fused to MBP in Complex with Inhibitor S55746 Deposited 2024-02-05 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 27–392（366 aa）
Not recorded F3Q ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；100 mM Tris (pH 8.5), 25% PEG 3350, 200 mM lithium sulfate
Resolution 2.10 Å R-free 0.243
8VXN Human Bcl-2/Bcl-xL Chimera Fused to Maltose-Binding Protein Deposited 2024-02-05 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；100 mM Tris (pH 8.0), 29% PEG 3350, 200 mM sodium chloride
Resolution 2.09 Å R-free 0.264
8X2X The piccolo NuA4 bound to the H2A.Z nucleosome complex at pre-H4-acetylation state Deposited 2023-11-10 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 12 PDB declaration: tetradecameric
Chain L 1–392（392 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.80 Å
8X2Y The class1 of piccolo NuA4 bound to the H2A.Z nucleosome complex at harboring state Deposited 2023-11-10 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 12 PDB declaration: tetradecameric
Chain L 1–392（392 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.10 Å
8X2Z The class2 of piccolo NuA4 bound to the H2A.Z nucleosome complex at harboring state Deposited 2023-11-10 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 12 PDB declaration: tetradecameric
Chain L 1–392（392 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.90 Å
8X30 Structure of piccolo NuA4 and H2A.Z nucleosome 2:1 complex Deposited 2023-11-10 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 15 PDB declaration: heptadecameric
Chain P 1–392（392 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.30 Å
8X31 The piccolo NuA4 bound to the H2A.Z nucleosome complex with Ac-CoA at resetting state Deposited 2023-11-10 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 12 PDB declaration: tetradecameric
Chain L 1–392（392 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 6.20 Å
8X32 The piccolo NuA4 bound to the H2A.Z nucleosome-H4KQ Complex with Ac-CoA at resetting state Deposited 2023-11-10 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 12 PDB declaration: tetradecameric
Chain L 1–392（392 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.40 Å
8X7V Structure of human SCMC ternary complex Deposited 2023-11-26 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.01 Å
8X7W Structure of dimeric human SCMC complex Deposited 2023-11-26 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.36 Å
8XB2 Structure of radafaxine-bound state of the human Norepinephrine Transporter Deposited 2023-12-05 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 Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 YNT Radafaxine × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.04 Å
8XB3 Structural mechanism of substrate binding and inhibition of the human Norepinephrine Transporter Deposited 2023-12-05 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 Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded YMN Iobenguane × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.80 Å
8XB4 Structure of apo state of the human Norepinephrine Transporter Deposited 2023-12-05 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 Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.92 Å
8YBE Cryo-EM structure of Maltose Binding Protein Deposited 2024-02-13 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–396（370 aa）
Mutation：A338V No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.30 Å
8YRQ Cryo-EM Structure of Human Protease-Activated Receptor 4 in complex with Gq heterotrimers and ScFv16 bound to Tethered Ligand Deposited 2024-03-21 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY mmCIF provides none of the parsed conditions Resolution 2.80 Å
8ZCS Crystal structure of the MBP-MCL1 complex with highly selective and potent Cyclic peptide inhibitor Deposited 2024-04-30 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；290 K；0.2 M MgCl2, 0.1 Tris pH 8.5, 25% w/v Polyethylene glycol 3,350
Resolution 2.79 Å R-free 0.296
8ZHS Structure of Mbp-Bte1 fusion protein Deposited 2024-05-11 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 27–392（366 aa）
Chain B 27–392（366 aa）
Mutation：D108A/K109A/E198A/N199A/K265A Mutation：D108A/K109A/E198A/N199A/K265A GOL GLYCEROL × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291.15 K；10% v/v 2-Propanol, 0.1 M BICINE pH 8.5 and 30% w/v PEG1500
Resolution 2.40 Å R-free 0.238
8ZMR Vesamicol-bound VAChT Deposited 2024-05-23 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 Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–391（363 aa）
Mutation：A520E A1LWL vesamicol × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.25
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.50 Å
8ZMS Acetylcholine-bound VAChT Deposited 2024-05-23 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 Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–391（363 aa）
Mutation：A520E ACH ACETYLCHOLINE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.25
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.70 Å
9BCG Myeloid cell leukemia-1 (Mcl-1) complexed with compound Deposited 2024-04-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–392（367 aa）
Not recorded A1ALT 7-[(4R,5S,6P)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-4,5-dimethoxy-1-methyl-1H-indole-2-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；292 K；PEG 3350, Bis-Tris, Magnesium chloride
Resolution 1.90 Å R-free 0.210
9BDE Middle Region of Apolipoprotein B 100 bound to Low Density Lipoprotein Receptor Deposited 2024-04-11 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 × 6 PDB declaration: hexameric
Chain B 27–384（358 aa） Fragment：;residues 27-384 (Uniprot numbering),residues 278-327 (Uniprot numbering),103-151 (Uniprot numbering),residues 440-497 (Uniprot numbering) ;
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 CA CALCIUM ION × 7 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.18 Å
9BOI Cryo-EM structure of human Spns1 in complex with LPC (18:1) Deposited 2024-05-03 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 Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–391（363 aa）
Not recorded 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 ELECTRON MICROSCOPY
cryo-EM buffer pH 5.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.22 Å
9CER Guillardia theta Fanzor (GtFz) State 1 Deposited 2024-06-27 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 Monomer；Protein × 1 PDB declaration: dimeric
Chain P 27–392（366 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 4.70 Å
9CES Guillardia theta Fanzor (GtFz) State 2 Deposited 2024-06-27 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 Monomer；Protein × 1 PDB declaration: tetrameric
Chain P 27–392（366 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.28 Å
9CET Guillardia theta Fanzor (GtFz) State 3 Deposited 2024-06-27 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 Monomer；Protein × 1 PDB declaration: tetrameric
Chain P 27–392（366 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.00 Å
9CEU Spizellomyces punctatus Fanzor (SpuFz) State 1 Deposited 2024-06-27 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 Monomer；Protein × 1 PDB declaration: tetrameric
Chain P 27–392（366 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.29 Å
9CEV Spizellomyces punctatus Fanzor (SpuFz) State 2 Deposited 2024-06-27 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 Monomer；Protein × 1 PDB declaration: tetrameric
Chain P 27–392（366 aa）
Not recorded MG MAGNESIUM ION × 2 ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.26 Å
9CEW Spizellomyces punctatus Fanzor (SpuFz) State 3 Deposited 2024-06-27 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 Monomer；Protein × 1 PDB declaration: hexameric
Chain P 27–392（366 aa）
Not recorded MG MAGNESIUM ION × 2 ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 2.88 Å
9CEX Spizellomyces punctatus Fanzor (SpuFz) State 4 Deposited 2024-06-27 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 Monomer；Protein × 1 PDB declaration: hexameric
Chain P 27–392（366 aa）
Not recorded ZN ZINC ION × 1 MG MAGNESIUM ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.27 Å
9CEY Spizellomyces punctatus Fanzor (SpuFz) State 5 Deposited 2024-06-27 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 Monomer；Protein × 1 PDB declaration: tetrameric
Chain P 27–392（366 aa）
Not recorded MG MAGNESIUM ION × 2 ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.22 Å
9CEZ Spizellomyces punctatus Fanzor (SpuFz) State 6 Deposited 2024-06-27 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 Monomer；Protein × 1 PDB declaration: tetrameric
Chain P 27–392（366 aa）
Not recorded MG MAGNESIUM ION × 2 ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.41 Å
9CF0 Parasitella parasitica Fanzor (PpFz) State 1 Deposited 2024-06-27 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 × 2 PDB declaration: pentameric
Chain P 27–392（366 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.47 Å
9CF1 Parasitella parasitica Fanzor (PpFz) State 2 Deposited 2024-06-27 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 × 2 PDB declaration: pentameric
Chain P 27–392（366 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.52 Å
9CF2 Parasitella parasitica Fanzor (PpFz) State 3 Deposited 2024-06-27 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 × 2 PDB declaration: heptameric
Chain P 27–392（366 aa）
Not recorded ZN ZINC ION × 1 MG MAGNESIUM ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.15 Å
9CF3 Parasitella parasitica Fanzor (PpFz) State 4 Deposited 2024-06-27 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 × 2 PDB declaration: pentameric
Chain P 27–392（366 aa）
Not recorded ZN ZINC ION × 1 MG MAGNESIUM ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.20 Å
9CLC Crystal structure of maltose binding protein (Apo), mutant Trp10 to 4-Cyanotryptophan Deposited 2024-07-10 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 27–396（370 aa）
Mutation：T356A Non-standard monomer：Yes (specific site not provided by mmCIF) NA SODIUM ION × 6 CD CADMIUM ION × 3 PEG DI(HYDROXYETHYL)ETHER × 4 EDO 1,2-ETHANEDIOL × 11 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291.15 K；30% v/v PEG400, 100 mM sodium acetate (pH 4.6), 100 mM cadmium chloride
Resolution 1.48 Å R-free 0.165
9CLD Crystal structure of maltose binding protein (Apo) Deposited 2024-07-10 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 27–396（370 aa）
Mutation：T356A PEG DI(HYDROXYETHYL)ETHER × 6 EDO 1,2-ETHANEDIOL × 4 PGE TRIETHYLENE GLYCOL × 2 NA SODIUM ION × 6 CD CADMIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291.15 K；30% v/v PEG400, 100 mM sodium acetate (pH 4.6), 100 mM cadmium chloride
Resolution 1.58 Å R-free 0.174
9DH3 Cryo-EM structure of NLRP3 complex with Compound C Deposited 2024-09-03 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 Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded ADP ADENOSINE-5'-DIPHOSPHATE × 4 A1A4L 2-[(4S)-5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N-(pyrimidin-4-yl)acetamide × 4 CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.76 Å
9E0V GSDMD bound to a peptide Deposited 2024-10-19 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 29–392（364 aa） Fragment：MBP + GSD (UNP residues 276-484)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；289.15 K；0.1 M HEPES, pH 7.5, 1.25 M sodium citrate dihydrate, 20 mM TCEP
Resolution 1.64 Å R-free 0.212
9EKO A chimeric hybrid protein fused with the FGFR3 Transmembrane Domain Deposited 2024-12-03 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–387（361 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.90 Å R-free 0.287
9F5W Human condensin II - M18BP1 complex Deposited 2024-04-30 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric
Chain M 26–396（371 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 7.50 Å
9FGV Cryo-EM structure of MBP homo-dimer assembled by homo Di-Gluebody Deposited 2024-05-26 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 A 27–392（366 aa）
Chain C 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.39 Å
9FKQ Cryo-EM structure of MBP homo-dimer assembled by homo Di-Gluebody - MBP local refinement Deposited 2024-06-03 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 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.45 Å
9FYQ Cryo-EM structure of native SV2A in complex with TeNT-Hc, gangliosides and Pro-Macrobody 5 Deposited 2024-07-03 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 × 3 PDB declaration: trimeric
Chain D 33–392（360 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 6UZ omega-undecylenyl-beta-D-maltopyranoside × 1 A1IHM (2~{R},4~{R},5~{S},6~{S})-2-[(2~{R},3~{R})-3-[(2~{R},3~{S},4~{S},6~{S})-6-[(2~{S},3~{S},4~{R},5~{S},6~{S})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[2-(octadecanoylamino)-3-oxidanyl-octadec-4-enoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-5-oxidanyl-oxan-4-yl]oxy-3-azanyl-6-carboxy-4-oxidanyl-oxan-2-yl]-2,3-bis(oxidanyl)propoxy]-5-azanyl-4-oxidanyl-6-[(1~{R},2~{S})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid × 1 A1IHN (2~{S},4~{S},5~{R},6~{S})-5-acetamido-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(2~{S},4~{S},5~{S},6~{S})-5-acetamido-2-carboxy-4-oxidanyl-6-[(1~{S},2~{R})-1,2,3-tris(oxidanyl)propyl]oxan-2-yl]oxy-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-6-[2-(docosanoylamino)-3-oxidanyl-octadec-4-enoxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-3-(2-oxidanylidenepropyl)oxan-4-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；10 mM Hepes-NaOH 7.5, 150 mM NaCl, 3 mM maltose, 0.03 % n-dodecyl-beta-D-maltopyranoside, 0.006% cholesterol hemisuccinate
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.25 Å
9FYR Cryo-EM structure of native SV2A in complex with TeNT-Hc, Pro-Macrobody 5 and Levetiracetam Deposited 2024-07-03 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 × 3 PDB declaration: trimeric
Chain D 33–392（360 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 6UZ omega-undecylenyl-beta-D-maltopyranoside × 1 UKX (2S)-2-(2-oxidanylidenepyrrolidin-1-yl)butanamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；10 mM Hepes-NaOH 7.5, 150 mM NaCl, 3 mM maltose, 0.03 % n-dodecyl-beta-D-maltopyranoside, 0.006% cholesterol hemisuccinate, 250 uM Levetiracetam
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.60 Å
9HDO The Human LINE-1 ORF2p target-primed reverse transcription complex Deposited 2024-11-12 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 Monomer；Protein × 1 PDB declaration: heptameric
Chain A 29–392（364 aa）
Not recorded MG MAGNESIUM ION × 1 ZN ZINC ION × 1 D3T 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.30 Å
9HDP The Human LINE-1 ORF2p target-primed reverse transcription complex with the fingers domain in a closed conformation Deposited 2024-11-12 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 Monomer；Protein × 1 PDB declaration: heptameric
Chain A 29–392（364 aa）
Not recorded MG MAGNESIUM ION × 1 ZN ZINC ION × 1 D3T 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.50 Å
9HDQ The Human LINE-1 ORF2p target-primed reverse transcription complex with the fingers domain in an open conformation Deposited 2024-11-12 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 Monomer；Protein × 1 PDB declaration: heptameric
Chain A 29–392（364 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.45 Å
9HDR Human LINE-1 ORF2p target-primed reverse transcription complex with EN domain resolved Deposited 2024-11-12 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 Monomer；Protein × 1 PDB declaration: heptameric
Chain A 29–392（364 aa）
Not recorded MG MAGNESIUM ION × 1 ZN ZINC ION × 1 D3T 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.10 Å
9IP2 Cryo-EM structure of the RNA-dependent RNA polymerase complex from Marburg virus Deposited 2024-07-10 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 × 5 PDB declaration: pentameric
Chain A 29–392（364 aa）
Chain B 29–392（364 aa）
Chain C 29–392（364 aa）
Chain D 29–392（364 aa）
Chain E 29–392（364 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；25 mM HEPES, 500 mM NaCl, 1 mM TCEP, 6 mM MgCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.70 Å R-free 0.301
9IP3 Cryo-EM structure of the RNA-dependent RNA polymerase complex in a compact conformation from Ebola virus Deposited 2024-07-10 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 × 5 PDB declaration: pentameric
Chain A 29–392（364 aa）
Chain B 29–392（364 aa）
Chain C 29–392（364 aa）
Chain D 29–392（364 aa）
Chain E 29–392（364 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；25 mM HEPES, 300 mM NaCl, 1 mM TCEP, 6 mM MgCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.10 Å
9IP4 Cryo-EM structure of the RNA-dependent RNA polymerase complex from Marburg virus Deposited 2024-07-10 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 × 5 PDB declaration: pentameric
Chain A 29–392（364 aa）
Chain B 29–392（364 aa）
Chain C 29–392（364 aa）
Chain D 29–392（364 aa）
Chain E 29–392（364 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；25 mM HEPES, 500 mM NaCl, 1 mM TCEP, 6 mM MgCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.84 Å R-free 0.327
9J64 Cryo-EM structure of neddylated Cul2-Rbx1-EloBC-FEM1B homodimer complexed with FNIP1 degron Deposited 2024-08-14 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 × 8 PDB declaration: octameric
Chain J 27–392（366 aa）
Not recorded ZN ZINC ION × 7 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.28 Å
9J84 Structureal mechanism of human TRPM3 ion channel inhibition Deposited 2024-08-20 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 Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded A1EA5 ~{N}-[(3~{S})-3-(hydroxymethyl)piperidin-3-yl]-6-[(4-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1,4-benzoxazine-4-carboxamide × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.21 Å
9K4I Cryo-EM structure of the human TRPC1/C5 heteromer Deposited 2024-10-21 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 × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded CA CALCIUM ION × 3 Y01 CHOLESTEROL HEMISUCCINATE × 3 YZY (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.84 Å
9KP4 Crystal structure of human CASTOR1 in apo form Deposited 2024-11-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded NH4 AMMONIUM ION × 2 ACY ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；0.1 M Barium chloride, 30% v/v ethanol, 0.2 M NH4Ac, 0.1 M Tris pH 8.5, and 25% PEG 3350.
Resolution 3.08 Å R-free 0.264
9KP4 Crystal structure of human CASTOR1 in apo form Deposited 2024-11-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded NH4 AMMONIUM ION × 2 ACY ACETIC ACID × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；0.1 M Barium chloride, 30% v/v ethanol, 0.2 M NH4Ac, 0.1 M Tris pH 8.5, and 25% PEG 3350.
Resolution 3.08 Å R-free 0.264
9LN6 Structure of human NLRP14-UHRF1 complex Deposited 2025-01-20 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.49 Å
9O9S Structure of human MPC matrix-open Deposited 2025-04-18 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 × 2 PDB declaration: dimeric
Chain A 29–384（356 aa）
Not recorded I2R (E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.57 Å
9O9T Structure of human MPC IMS-open Deposited 2025-04-18 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 29–384（356 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.31 Å
9PQ5 MBP-Mcl1 in complex with ligand 8 Deposited 2025-07-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded A1CMI 17-chloranyl-5,13,14,22-tetramethyl-28-oxa-2,9-dithia-5,6,12,13,24-pentazaheptacyclo[27.7.1.1^{4,7}.0^{11,15}.0^{16,21}.0^{20,24}.0^{30,35}]octatriaconta-1(36),4(38),6,11,14,16,18,20,22,29(37),30(35),31,33-tridecaene-23-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；285 K；19% (w/v) PEG3350, 0.17M Magnesium formate
Resolution 1.28 Å R-free 0.195
9PQ6 MBP-Mcl1 in complex with ligand 12 Deposited 2025-07-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded A1CMH 17-chloranyl-33-fluoranyl-5,13,14,22-tetramethyl-28-oxa-9-thia-5,6,12,13,24-pentazaheptacyclo[27.7.1.1^{4,7}.0^{11,15}.0^{16,21}.0^{20,24}.0^{30,35}]octatriaconta-1(36),4(38),6,11,14,16,18,20,22,29(37),30(35),31,33-tridecaene-23-carboxylic acid × 1 EDO 1,2-ETHANEDIOL × 4 FMT FORMIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；285 K；19% (w/v) PEG3350, 0.17M Magnesium formate
Resolution 1.53 Å R-free 0.211
9PQ7 MBP-Mcl1 in complex with ligand 21b Deposited 2025-07-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded A1CMG 17-chloranyl-33-fluoranyl-12-[2-(2-methoxyethoxy)ethyl]-5,14,22-trimethyl-28-oxa-9-thia-5,6,12,13,24-pentazaheptacyclo[27.7.1.1^{4,7}.0^{11,15}.0^{16,21}.0^{20,24}.0^{30,35}]octatriaconta-1(36),4(38),6,11(15),13,16,18,20,22,29(37),30(35),31,33-tridecaene-23-carboxylic acid × 1 EDO 1,2-ETHANEDIOL × 1 FMT FORMIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；285 K；19% (w/v) PEG3350, 0.17M Magnesium formate
Resolution 1.24 Å R-free 0.171
9PX5 Crystal structure of Fab 7268 in complex with MBP-TREM2 Ig domain fusion Deposited 2025-08-05 Different construct Different mutation/modification 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 27–392（366 aa） Fragment：Ig domain of TREM-2
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；11% PEG 8000, 240mM ammonium sulfate, 100mM MES
Resolution 3.70 Å R-free 0.268
9SKR Cryo-EM structure of H. neapolitanus CsoSCA in oxidizing conditions, hexamer Deposited 2025-09-02 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 Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 6 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4C, 100% relative humidity, delay time 0s, blot time 3s, blot force 0
Resolution 2.13 Å
9SKR Cryo-EM structure of H. neapolitanus CsoSCA in oxidizing conditions, hexamer Deposited 2025-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4C, 100% relative humidity, delay time 0s, blot time 3s, blot force 0
Resolution 2.13 Å
9SKR Cryo-EM structure of H. neapolitanus CsoSCA in oxidizing conditions, hexamer Deposited 2025-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4C, 100% relative humidity, delay time 0s, blot time 3s, blot force 0
Resolution 2.13 Å
9SKS Cryo-EM structure of H. neapolitanus CsoSCA in oxidizing conditions, dimer, major state, active conformation Deposited 2025-09-02 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 Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4C, 100% relative humidity, delay time 0s, blot time 3s, blot force 0
Resolution 2.15 Å
9SKT Cryo-EM structure of H. neapolitanus CsoSCA in oxidizing conditions, dimer, minor state Deposited 2025-09-02 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 Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4C, 100% relative humidity, delay time 0s, blot time 3s, blot force 0
Resolution 2.45 Å
9SKU Cryo-EM structure of H. neapolitanus CsoSCA in reducing conditions, hexamer Deposited 2025-09-02 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 Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 6 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4C, 100% relative humidity, delay time 0s, blot time 3s, blot force 0
Resolution 2.06 Å
9SKV Cryo-EM structure of H. neapolitanus CsoSCA in reducing conditions, dimer, major state, inactive conformation Deposited 2025-09-02 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 Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4C, 100% relative humidity, delay time 0s, blot time 3s, blot force 0
Resolution 2.12 Å
9SKW Cryo-EM structure of H. neapolitanus CsoSCA in reducing conditions, dimer, minor state Deposited 2025-09-02 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 Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4C, 100% relative humidity, delay time 0s, blot time 3s, blot force 0
Resolution 2.27 Å
9SKX Cryo-EM structure of H. neapolitanus CsoSCA C283A/C284A inactive mutant, hexamer Deposited 2025-09-02 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 Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 6 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4C, 100% relative humidity, delay time 0s, blot time 3s, blot force 0
Resolution 2.08 Å
9SKY Cryo-EM structure of H. neapolitanus CsoSCA C283A/C284A inactive mutant, dimer, state 1 Deposited 2025-09-02 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 Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4C, 100% relative humidity, delay time 0s, blot time 3s, blot force 0
Resolution 2.18 Å
9SKZ Cryo-EM structure of H. neapolitanus CsoSCA C283A/C284A inactive mutant, dimer, state 2 Deposited 2025-09-02 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 Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4C, 100% relative humidity, delay time 0s, blot time 3s, blot force 0
Resolution 2.22 Å
9T3X cryo-EM structure of CPSF160-WDR33-ZC3H18 Deposited 2025-10-30 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；20mM HEPES pH 7.5, 150mM NaCl, 5mM MgCl2
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 2.10 Å
9TNZ SP100 CARD filament Deposited 2025-12-16 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 26 PDB declaration: 26-meric
Chain A 27–361（335 aa）
Chain AA 27–361（335 aa）
Chain B 27–361（335 aa）
Chain C 27–361（335 aa）
Chain D 27–361（335 aa）
Chain E 27–361（335 aa）
Chain F 27–361（335 aa）
Chain G 27–361（335 aa）
Chain H 27–361（335 aa）
Chain I 27–361（335 aa）
Chain J 27–361（335 aa）
Chain K 27–361（335 aa）
Chain L 27–361（335 aa）
Chain M 27–361（335 aa）
Chain N 27–361（335 aa）
Chain O 27–361（335 aa）
Chain P 27–361（335 aa）
Chain Q 27–361（335 aa）
Chain R 27–361（335 aa）
Chain S 27–361（335 aa）
Chain T 27–361（335 aa）
Chain V 27–361（335 aa）
Chain W 27–361（335 aa）
Chain X 27–361（335 aa）
Chain Y 27–361（335 aa）
Chain Z 27–361（335 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.52 Å
9UJY The structure of Egalitarian in complex with the K10 mRNA localization signal reveals a modular binding surface required for function Deposited 2025-04-17 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–387（359 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；100 mM Tris-HCl, pH 7.5, 18% (w/v) PEG 6000, 50 mM MgCl2
Resolution 2.26 Å R-free 0.206
9UU0 The structure of Bacteroides fragilis T6SS effector BteO Deposited 2025-05-05 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 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；300 K；0.1M sodium citrate pH 3.9, 12% w/v PEG35000
Resolution 2.72 Å R-free 0.297
9UU0 The structure of Bacteroides fragilis T6SS effector BteO Deposited 2025-05-05 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 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；300 K；0.1M sodium citrate pH 3.9, 12% w/v PEG35000
Resolution 2.72 Å R-free 0.297
9VBD Cryo-EM structure of CARD1 ectodomain Deposited 2025-06-04 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 Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 CU COPPER (II) ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；3 microliters droplet, 5 seconds delay before blotting, 3 seconds blot, 0 second delay before plunging.
Resolution 3.26 Å
9VBV Cryo-EM structure of a CARD1 ectodomain H197A/H199A/H222A mutant Deposited 2025-06-05 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 Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：H197A/H199A/H222A NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；3 microliters droplet, 5 seconds delay before blotting, 3 seconds blot, 0 second delay before plunging.
Resolution 3.61 Å
9VUI Cryo-EM structure of the human measles virus RNA-dependent RNA polymerase complex bound to viral protein C Deposited 2025-07-13 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 × 7 PDB declaration: heptameric
Chain A 29–392（364 aa）
Chain B 29–392（364 aa）
Chain C 29–392（364 aa）
Chain D 29–392（364 aa）
Chain L 29–392（364 aa）
Chain X 29–392（364 aa）
Chain Y 29–392（364 aa）
Not recorded ZN ZINC ION × 3 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；300mM NaCl, 25mM HEPES, 1mM TCEP, 6mM MgCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.72 Å
9VUJ Cryo-EM structure of the human measles virus RNA-dependent RNA polymerase Deposited 2025-07-13 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 × 5 PDB declaration: pentameric
Chain A 29–392（364 aa）
Chain B 29–392（364 aa）
Chain C 29–392（364 aa）
Chain D 29–392（364 aa）
Chain L 29–392（364 aa）
Not recorded ZN ZINC ION × 3 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；300mM NaCl, 25mM HEPES, 1mM TCEP, 6mM MgCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.60 Å
9VUK Cryo-EM structure of the human measles virus RNA-dependent RNA polymerase complex Deposited 2025-07-13 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 × 5 PDB declaration: pentameric
Chain A 29–392（364 aa）
Chain B 29–392（364 aa）
Chain C 29–392（364 aa）
Chain D 29–392（364 aa）
Chain L 29–392（364 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；150mM NaCl, 25mM HEPES, 1mM TCEP, 6mM MgCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.17 Å
9VUL Cryo-EM structure of the human measles virus RNA-dependent RNA polymerase bound to allosteric inhibitor ERDRP-0519 Deposited 2025-07-13 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 × 5 PDB declaration: pentameric
Chain A 29–392（364 aa）
Chain B 29–392（364 aa）
Chain C 29–392（364 aa）
Chain D 29–392（364 aa）
Chain L 29–392（364 aa）
Not recorded ZN ZINC ION × 2 A1EF9 2-methyl-~{N}-[4-[(2~{S})-2-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylphenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；300mM NaCl, 25mM HEPES, 1mM TCEP, 6mM MgCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.13 Å
9VUM Cryo-EM structure of the Nipah virus RNA-dependent RNA polymerase complex bound to allosteric inhibitor ERDRP-0519 Deposited 2025-07-13 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 × 5 PDB declaration: pentameric
Chain A 29–392（364 aa）
Chain B 29–392（364 aa）
Chain C 29–392（364 aa）
Chain D 29–392（364 aa）
Chain L 29–392（364 aa）
Not recorded ZN ZINC ION × 2 A1EF9 2-methyl-~{N}-[4-[(2~{S})-2-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylphenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；300mM NaCl, 25mM HEPES, 1mM TCEP, 6mM MgCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.84 Å
9W39 Structure of human 26S proteasome complexed with midnolin, 19S proteasome with Ubl bound Deposited 2025-07-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 19 PDB declaration: 19-meric
Chain f 27–392（366 aa）
Not recorded ADP ADENOSINE-5'-DIPHOSPHATE × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 4 ZN ZINC ION × 1 MG MAGNESIUM ION × 3 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.65 Å
9W4M ratTRPV1 bound with antagonist AMG517 Deposited 2025-07-31 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 Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded A1D6R ~{N}-[4-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]ethanamide × 4 NA SODIUM ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.70 Å
9W4T ratTRPV1 bound with antagonist AMG9810 Deposited 2025-08-01 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 Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded A1D6W (~{Z})-3-(4-~{tert}-butylphenyl)-~{N}-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide × 4 NA SODIUM ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.87 Å
9W97 Structure of BPDBA-bound state of the human betaine/GABA transporter 1 Deposited 2025-08-09 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 Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded A1EVN 2,4-bis(chloranyl)-~{N}-[1-(phenylmethyl)piperidin-4-yl]benzamide × 1 CL CHLORIDE ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.84 Å
9W98 Structure of ATPCA-bound state of the human betaine/GABA transporter 1 Deposited 2025-08-09 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 Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded A1EMK 2-azanyl-1,4,5,6-tetrahydropyrimidine-5-carboxylic acid × 1 CL CHLORIDE ION × 1 NA SODIUM ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.71 Å
9W99 Structure of betaine-bound state of the human betaine/GABA transporter 1 Deposited 2025-08-09 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 Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded BET TRIMETHYL GLYCINE × 1 NA SODIUM ION × 2 CL CHLORIDE ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.04 Å
9W9A Structure of GABA-bound state of the human betaine/GABA transporter 1 Deposited 2025-08-09 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 Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded ABU GAMMA-AMINO-BUTANOIC ACID × 1 CL CHLORIDE ION × 1 NA SODIUM ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.98 Å
9W9B Structure of the apo state of human betaine/GABA transporter 1 in the inward-facing conformation Deposited 2025-08-09 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 Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded CL CHLORIDE ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.87 Å
9W9C Structure of the apo state of human betaine/GABA transporter 1 in the occluded conformation Deposited 2025-08-09 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.02 Å
9WBG Structure of human 26S proteasome complexed with midnolin, 19S proteasome with Ubl and Catch domain resolved Deposited 2025-08-14 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 × 20 PDB declaration: 20-meric
Chain f 27–392（366 aa）
Not recorded ADP ADENOSINE-5'-DIPHOSPHATE × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 4 ZN ZINC ION × 1 MG MAGNESIUM ION × 3 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.23 Å
9WJH Spiroindoline-bound human VAChT Deposited 2025-08-31 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 Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–391（363 aa）
Not recorded A1EWS (6-bromanylpyridin-3-yl)-[1'-[(~{E})-3-(4-chlorophenyl)prop-2-enyl]-5-fluoranyl-spiro[2~{H}-indole-3,4'-piperidine]-1-yl]methanone × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.25
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
9WJI Alkylsulfone-bound human VAChT Deposited 2025-08-31 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 Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–391（363 aa）
Not recorded A1EWW 2-(3-ethylsulfonylpyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.25
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
9WY8 Cryo-EM structure of the hexameric DRT6 Deposited 2025-09-26 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 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Chain E 27–392（366 aa）
Chain F 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.69 Å
9XKO High-resolution cryo-EM structure of Maltose Binding Protein Deposited 2025-11-06 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.35 Å
9XQC A composite Cryo-EM structure of GPR75 Deposited 2025-11-18 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 26–99（74 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å

366 other PDB entries and 491 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name MALE_ECOLI
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 24–390； UniProt 27–393

Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1,Maltose-binding periplasmic protein

Escherichia coli K-12

UniProt Q13526

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Monomer Protein × 1 其他Polymer 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain A； UniProt 5–23 Fragment：UNP(Q13526) residues 5-23,UNP(P0AEX9) residues 27-393 Mutation：R390N alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；1.6M Ammonium citrate Resolution 1.90 Å R-free 0.189

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 5B3Y Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1F8A STRUCTURAL BASIS FOR THE PHOSPHOSERINE-PROLINE RECOGNITION BY GROUP IV WW DOMAINS Deposited 2000-06-29 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–163（163 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；100 mM MOPSO-Na+, 28% PEG 8000, 2 mM DTT, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.84 Å R-free 0.271
1I6C SOLUTION STRUCTURE OF PIN1 WW DOMAIN Deposited 2001-03-02 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 6–44（39 aa） Fragment：WW DOMAIN (RESIDUES 6-44)
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.4；285 K；Ionic strength (raw mmCIF value) 100 mM NaCl；Pressure ambient
NMR sample composition 1mM sample of WW domain in a buffer of 50 mM deutered Tris-HCl, pH 6.4, 100 mM NaCl | 90% H2O/10% D2O
Resolution not provided
1I8G SOLUTION STRUCTURE OF PIN1 WW DOMAIN COMPLEXED WITH CDC25 PHOSPHOTHREONINE PEPTIDE Deposited 2001-03-14 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 6–44（39 aa） Fragment：WW DOMAIN (RESIDUES 6-44)
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.4；285 K；Ionic strength (raw mmCIF value) 100 mM NaCl；Pressure ambient
NMR sample composition sample of 1mM WW domain / 4.5 mM Cdc25 ligand buffer of 50 mM deutered Tris-D2O, pH 6.4, 100 mM NaCl | 90% H2O/10% D2O
Resolution not provided
1I8H SOLUTION STRUCTURE OF PIN1 WW DOMAIN COMPLEXED WITH HUMAN TAU PHOSPHOTHREONINE PEPTIDE Deposited 2001-03-14 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 6–44（39 aa） Fragment：WW DOMAIN (RESIDUES 6-44)
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.4；285 K；Ionic strength (raw mmCIF value) 100 mM NaCl；Pressure ambient
NMR sample composition sample of 1mM Pin1 WW domain / 11mM tau ligand buffer of 50 mM deutered Tris-D2O, pH 6.4, 100 mM NaCl | 90% H2O/10% D2O
Resolution not provided
1NMV Solution structure of human Pin1 Deposited 2003-01-11 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 1–163（163 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.6；300 K；Ionic strength (raw mmCIF value) n.c.；Pressure ambient
NMR measurement conditions pH 6.6；300 K；Ionic strength (raw mmCIF value) n.c.；Pressure ambient
NMR measurement conditions pH 6.6；300 K；Ionic strength (raw mmCIF value) n.c.；Pressure ambient
NMR sample composition 0.6-0.8mM Pin1 U-15N,13C; 50mM phosphate buffer, 1mM DTT, 5mM EDTA, 50-100mM Na sulfate | 90% H2O/10% D2O
NMR sample composition ~0.2mM Pin1 U-15N,13C; 50mM phosphate buffer, 1mM DTT, 5mM EDTA, 50-100mM Na sulfate | 100% D2O
NMR sample composition 0.6mM Pin1 U-15N,13C;50mM Tris/HCl buffer, 1mM DTT, 5mM EDTA | 90% H2O/10% D2O
Resolution not provided
1NMW Solution structure of the PPIase domain of human Pin1 Deposited 2003-01-12 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 50–163（114 aa） Fragment：PPIase domain (residues 50-163)
Not recorded SO4 SULFATE ION × 1 SOLUTION NMR
NMR measurement conditions pH 6.6；300 K；Ionic strength (raw mmCIF value) n.c.；Pressure ambient
NMR measurement conditions pH 6.6；300 K；Ionic strength (raw mmCIF value) n.c.；Pressure ambient
NMR measurement conditions pH 6.6；300 K；Ionic strength (raw mmCIF value) n.c.；Pressure ambient
NMR measurement conditions pH 6.6；300 K；Ionic strength (raw mmCIF value) n.c.；Pressure ambient
NMR sample composition 0.6-0.8mM Pin1(PPIase) U-15N,13C; 50mM phosphate buffer, 1mM DTT, 5mM EDTA, 50-100mM Na sulphate | 90% H2O/10% D2O
NMR sample composition ~0.1-0.2mM Pin1(PPIas) U-15N,13C; 50mM phosphate buffer, 1mM DTT, 5mM EDTA, 50-100mM Na sulphate | 100% D2O
NMR sample composition 0.6-0.8mM Pin1(PPIase) U-15N,13C;50mM Tris/HCl buffer, 1mM DTT, 5mM EDTA | 90% H2O/10% D2O
NMR sample composition 0.8mM Pin1(PPIase); 50mM phosphate buffer, 1mM DTT, 5mM EDTA, 50-100mM Na sulphate | 90% H2O/10% D2O
Resolution not provided
1PIN PIN1 PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FROM HOMO SAPIENS Deposited 1998-06-21 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 1–163（163 aa）
Not recorded ALA ALANINE × 2 PRO PROLINE × 2 SO4 SULFATE ION × 2 1PG 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；277 K；PROTEIN WAS CRYSTALLIZED AT 4 DEGREES CELSIUS FROM 2.4 M (NH4)2SO4, 1% (V/V) PEG 400, 0.1 M NA-HEPES, PH 7.5. PRIOR TO DATA COLLECTION, THE CRYSTALS WERE TRANSFERRED TO SOLUTIONS OF 40 % (V/V) PEG 400, 0.1 M NA-HEPES, PH 7.5 CONTAINING 0.05 M ALANINE-PROLINE DIPEPTIDE., temperature 277K
Resolution 1.35 Å R-free 0.266
1ZCN human Pin1 Ng mutant Deposited 2005-04-12 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 1–163（163 aa）
Mutation：S19N PO4 PHOSPHATE ION × 1 1PE PENTAETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2M Ammonium Sulfate, 1% PEG400, 100mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.269
2F21 human Pin1 Fip mutant Deposited 2005-11-15 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 1–163（163 aa） Fragment：WW domain
Mutation：R17A, S18D, S19 deletion 1PE PENTAETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；278 K；2.0M Ammonium Sulfate, 100mM HEPES 7.5, 0.2M NaCl. cross-seeding with wild-type Pin1 crystal, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 1.50 Å R-free 0.248
2ITK human Pin1 bound to D-PEPTIDE Deposited 2006-10-19 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 1–163（163 aa）
Mutation：R14A 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 7.5；2M Ammonium Sulfate, 1% PEG400, 100mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP
Resolution 1.45 Å R-free 0.235
2KBU NMR solution structure of Pin1 WW domain mutant with beta turn mimic at position 12 Deposited 2008-12-08 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 6–39（34 aa） Fragment：UNP residues 6-39
Mutation：W34F Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；288.2 K；Ionic strength (raw mmCIF value) 0；Pressure ambient
NMR sample composition 0.446 mM WW domain, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.447 mM WW domain, 100% D2O | 100% D2O
Resolution not provided
2KCF The NMR solution structure of the isolated Apo Pin1 WW domain Deposited 2008-12-19 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 6–39（34 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.2；278 K；Ionic strength (raw mmCIF value) 0；Pressure ambient
NMR sample composition mM PIN1, 50 mM potassium phosphate-2, 0.02% v/v sodium azide-3, trace % DSS-4, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition mM PIN1, 50 mM potassium phosphate-6, 0.02% v/v sodium azide-7, trace % DSS-8, 100% D2O | 100% D2O
Resolution not provided
2LB3 Structure of the WW domain of PIN1 in complex with a human phosphorylated Smad3 derived peptide Deposited 2011-03-22 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 6–41（36 aa） Fragment：residues 6-41
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；285 K；Ionic strength (raw mmCIF value) 0.420；Pressure ambient
NMR sample composition 1 mM NEDD4LWW3, 3 mM SMAD3, 20 mM sodium phosphate, 100 mM sodium chloride, 2 mM sodium azide, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 1 mM [U-100% 15N] NEDD4LWW3, 3 mM SMAD3, 20 mM sodium phosphate, 100 mM sodium chloride, 2 mM sodium azide, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 1 mM [U-100% 13C; U-100% 15N] NEDD4LWW3, 3 mM SMAD3, 20 mM sodium phosphate, 100 mM sodium chloride, 2 mM sodium azide, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2M8I Structure of Pin1 WW domain Deposited 2013-05-22 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 1–39（39 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.5；291 K；Ionic strength (raw mmCIF value) 0.05；Pressure ambient
NMR sample composition 25 mM HEPES, 50 mM sodium chloride, 1 mM DTT, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2M8J Structure of Pin1 WW domain phospho-mimic S16E Deposited 2013-05-22 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 1–39（39 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.5；291 K；Ionic strength (raw mmCIF value) 0.05；Pressure ambient
NMR sample composition 25 mM HEPES, 50 mM sodium chloride, 1 mM DTT, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2M9E NMR solution structure of Pin1 WW domain mutant 5-1 Deposited 2013-06-07 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 6–15（10 aa） Fragment：modified WW domain (UNP residues 6-39, see remark 999)
Chain A 22–39（18 aa） Fragment：modified WW domain (UNP residues 6-39, see remark 999)
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.5；285 K；Ionic strength (raw mmCIF value) 0.08；Pressure ambient
NMR sample composition 500 uM WW domain, 50 mM sodium phosphate, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2M9F NMR solution structure of Pin1 WW domain mutant 5-1g Deposited 2013-06-07 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 6–15（10 aa） Fragment：modified WW domain (UNP residues 6-39, see remark 999)
Chain A 22–39（18 aa） Fragment：modified WW domain (UNP residues 6-39, see remark 999)
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SOLUTION NMR
NMR measurement conditions pH 6.5；285 K；Ionic strength (raw mmCIF value) 0.08；Pressure ambient
NMR sample composition 500 uM Pin WW Domain Peptide, 50 mM sodium phosphate, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2M9I NMR solution structure of Pin1 WW domain variant 6-1 Deposited 2013-06-10 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 6–39（34 aa） Fragment：MODIFIED WW DOMAIN (UNP RESIDUES 6-39)
Mutation：S11F, S14N, R16T, W29F No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.5；285 K；Ionic strength (raw mmCIF value) 0.08；Pressure ambient
NMR sample composition 500 uM Pin WW Domain Peptide, 50 mM sodium phosphate, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2M9J NMR solution structure of Pin1 WW domain mutant 6-1g Deposited 2013-06-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 6–39（34 aa） Fragment：MODIFIED WW DOMAIN (UNP RESIDUES 6-39)
Mutation：S11F, S14N, R16T, W29F NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SOLUTION NMR
NMR measurement conditions pH 6.5；285 K；Ionic strength (raw mmCIF value) 0.08；Pressure ambient
NMR sample composition 500 uM Pin WW Domain Peptide, 50 mM sodium phosphate, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2N1O PIN1 WW domain in complex with a phosphorylated CPEB1 derived peptide Deposited 2015-04-13 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 7–39（33 aa） Fragment：UNP residues 7-39
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；285 K；Pressure ambient
NMR sample composition 1 mM Pin1, 3 mM CPEB1, 10 % [U-100% 2H] D2O, 20 mM [U-100% 2H] TRIS, 130 mM sodium chloride, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2Q5A human Pin1 bound to L-PEPTIDE Deposited 2007-05-31 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 1–163（163 aa）
Mutation：R14A 16P 3,6,9,12,15,18-HEXAOXAICOSANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；M Ammonium Sulfate, 1% PEG400, 100mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.50 Å R-free 0.252
2RUC Solution structure of the peptidyl prolyl cis-trans isomerase domain of human Pin1 with sulfate ion Deposited 2014-03-25 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 51–163（113 aa） Fragment：UNP RESIDUES 51-163
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.6；299 K；Ionic strength (raw mmCIF value) 100；Pressure ambient
NMR sample composition 0.8 mM [U-13C; U-15N] wild type hPin1 PPIase domain-1, 100 mM sodium sulfate-2, 50 mM sodium phosphate-3, 5 mM EDTA-4, 1 mM DTT-5, 0.03 % sodium azide-6, H2O | 94.12% H2O, 5.88% D2O
Resolution not provided
2RUD Solution structure of the peptidyl prolyl cis-trans isomerase domain of C113D mutant human Pin1 with sulfate ion Deposited 2014-03-25 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 51–163（113 aa） Fragment：UNP RESIDUES 51-163
Mutation：C113D No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.6；299 K；Ionic strength (raw mmCIF value) 100；Pressure ambient
NMR sample composition 0.8 mM [U-13C; U-15N] C113D mutant hPin1 PPIase domain-1, 100 mM sodium sulfate-2, 50 mM sodium phosphate-3, 5 mM EDTA-4, 1 mM DTT-5, 0.03 % sodium azide-6, H2O | 94.12% H2O, 5.88% D2O
Resolution not provided
2RUQ solution structure of human Pin1 PPIase mutant C113A Deposited 2015-01-20 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 51–163（113 aa） Fragment：UNP residues 51-163
Mutation：C113A No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.6；299 K；Ionic strength (raw mmCIF value) 150；Pressure ambient
NMR sample composition 100 mM sodium sulfate-1, 50 mM sodium phosphate-2, 5 mM EDTA-3, 6 % [U-2H] D2O-4, 94 % H2O-5, 1 mM DTT-6, 0.03 % NaN3-7, 94% H2O/6% D2O | 94% H2O/6% D2O
Resolution not provided
2RUR Solution structure of Human Pin1 PPIase C113S mutant Deposited 2015-01-20 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 51–163（113 aa） Fragment：UNP residues 51-163
Mutation：C113S No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.6；299 K；Ionic strength (raw mmCIF value) 150；Pressure ambient
NMR sample composition 100 mM sodium sulfate-1, 50 mM sodium phosphate-2, 6 % [U-2H] D2O-3, 94 % H2O-4, 5 mM EDTA-5, 1 mM DTT-6, 0.03 % NaN3-7, 94% H2O/6% D2O | 94% H2O/6% D2O
Resolution not provided
2XP3 DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION Deposited 2010-08-25 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 1–163（163 aa）
Mutation：YES 12P DODECAETHYLENE GLYCOL × 1 B21 5-(2-METHOXYPHENYL)-2-FUROIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.2M AMMONIUM SULPHATE, 0.1M HEPES BUFFER, 1% PEG 400, 5MM DTT, PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277.0K
Resolution 2.00 Å R-free 0.254
2XP4 DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION Deposited 2010-08-25 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 1–163（163 aa）
Mutation：YES 12P DODECAETHYLENE GLYCOL × 1 G14 2-phenyl-1H-imidazole-4-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.2M AMMONIUM SULPHATE, 0.1M HEPES BUFFER, 1% PEG 400, 5MM DTT, PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277.0K
Resolution 1.80 Å R-free 0.229
2XP5 DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION Deposited 2010-08-25 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 1–163（163 aa）
Mutation：YES 12P DODECAETHYLENE GLYCOL × 1 4FF 5-METHYL-2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.2M AMMONIUM SULPHATE, 0.1M HEPES BUFFER, 1% PEG 400, 5MM DTT, PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277.0K
Resolution 1.90 Å R-free 0.232
2XP6 DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION Deposited 2010-08-25 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 1–163（163 aa）
Mutation：YES 12P DODECAETHYLENE GLYCOL × 1 4G2 2-(3-CHLORO-PHENYL)-5-METHYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.2M AMMONIUM SULPHATE, 0.1M HEPES BUFFER, 1% PEG 400, 5MM DTT, PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277.0K
Resolution 1.90 Å R-free 0.271
2XP7 DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION Deposited 2010-08-25 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 1–163（163 aa）
Mutation：YES 4F8 2-PHENYL-1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID × 1 12P DODECAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.2M AMMONIUM SULPHATE, 0.1M HEPES BUFFER, 1% PEG 400, 5MM DTT, PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277.0K
Resolution 2.00 Å R-free 0.270
2XP8 DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION Deposited 2010-08-25 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 1–163（163 aa）
Mutation：YES 12P DODECAETHYLENE GLYCOL × 1 4FY 4-(MORPHOLIN-4-YLCARBONYL)-2-PHENYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.2M AMMONIUM SULPHATE, 0.1M HEPES BUFFER, 1% PEG 400, 5MM DTT, PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277.0K
Resolution 2.10 Å R-free 0.315
2XP9 DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION Deposited 2010-08-25 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 1–163（163 aa）
Mutation：YES 12P DODECAETHYLENE GLYCOL × 1 4G8 4-[BENZYL(CARBOXYMETHYL)CARBAMOYL]-2-PHENYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.2M AMMONIUM SULPHATE, 0.1M HEPES BUFFER, 1% PEG 400, 5MM DTT, PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277.0K
Resolution 1.90 Å R-free 0.240
2XPA DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION Deposited 2010-08-25 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 1–163（163 aa）
Mutation：YES 12P DODECAETHYLENE GLYCOL × 1 4G5 4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.2M AMMONIUM SULPHATE, 0.1M HEPES BUFFER, 1% PEG 400, 5MM DTT, PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277.0K
Resolution 1.90 Å R-free 0.257
2XPB DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION Deposited 2010-08-25 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 1–163（163 aa）
Mutation：YES 12P DODECAETHYLENE GLYCOL × 1 4GE 5-[BENZYL(METHYL)CARBAMOYL]-2-(3-CHLOROPHENYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.2M AMMONIUM SULPHATE, 0.1M HEPES BUFFER, 1% PEG 400, 5MM DTT, PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277.0K
Resolution 2.00 Å R-free 0.277
2ZQS Crystal structure of a mutant PIN1 PEPTIDYL-PROLYL CIS-TRANS ISOMERASE Deposited 2008-08-19 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 1–163（163 aa）
Mutation：C113A SO4 SULFATE ION × 1 1PG 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；278 K；pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 1.90 Å R-free 0.284
2ZQT Crystal structure of a mutant PIN1 PEPTIDYL-PROLYL CIS-TRANS ISOMERASE Deposited 2008-08-19 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 1–163（163 aa）
Mutation：'M130A SO4 SULFATE ION × 1 1PG 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；278 K；pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 1.46 Å R-free 0.269
2ZQU Crystal structure of a mutant PIN1 PEPTIDYL-PROLYL CIS-TRANS ISOMERASE Deposited 2008-08-19 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 1–163（163 aa）
Mutation：W34A SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；278 K；pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.50 Å R-free 0.290
2ZQV Crystal structure of a mutant PIN1 PEPTIDYL-PROLYL CIS-TRANS ISOMERASE Deposited 2008-08-20 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 1–163（163 aa）
Mutation：F25A SO4 SULFATE ION × 1 1PG 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；278 K；pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.50 Å R-free 0.303
2ZR4 Crystal structure of a mutant PIN1 peptidyl-prolyl cis-trans isomerase Deposited 2008-08-22 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 1–163（163 aa）
Mutation：S32A 1PG 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；278 K；2.5M ammonium sulfate, 100mM HEPES-NA(pH7.5), 2% PEG400, 2mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.00 Å R-free 0.266
2ZR5 Crystal structure of a mutant PIN1 peptidyl-prolyl cis-trans isomerase Deposited 2008-08-22 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 1–163（163 aa）
Mutation：K63A SO4 SULFATE ION × 1 1PG 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；278 K；2.5M ammonium sulfate, 100mM HEPES-NA(pH7.5), 2% PEG400, 2mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.60 Å R-free 0.300
2ZR6 Crystal structure of a mutant PIN1 peptidyl-prolyl cis-trans isomerase Deposited 2008-08-22 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 1–163（163 aa）
Mutation：R14A SO4 SULFATE ION × 1 1PG 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；278 K；2.5M ammonium sulfate, 100mM HEPES-NA(pH7.5), 2% PEG400, 2mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 3.20 Å R-free 0.316
3I6C Structure-Based Design of Novel PIN1 Inhibitors (II) Deposited 2009-07-06 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 45–163（119 aa） Fragment：UNP residues 45-163
Mutation：K77Q, K82Q GIA 3-fluoro-N-(naphthalen-2-ylcarbonyl)-D-phenylalanine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；286 K；0.2M ammonium sulfate, 0.9M Na Citrate, 5mM TCEP, 100mM HEPES, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 286K
Resolution 1.30 Å R-free 0.214
3I6C Structure-Based Design of Novel PIN1 Inhibitors (II) Deposited 2009-07-06 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 45–163（119 aa） Fragment：UNP residues 45-163
Mutation：K77Q, K82Q GIA 3-fluoro-N-(naphthalen-2-ylcarbonyl)-D-phenylalanine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；286 K；0.2M ammonium sulfate, 0.9M Na Citrate, 5mM TCEP, 100mM HEPES, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 286K
Resolution 1.30 Å R-free 0.214
3IK8 Structure-Based Design of Novel PIN1 Inhibitors (I) Deposited 2009-08-05 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 45–163（119 aa） Fragment：UNP residues 45-163, PIN1 PPIASE DOMAIN
Mutation：K77Q,K82Q No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；286 K；0.2M ammonium sulfate, 0.9M Na Citrate, 5mM TCEP, 100mM HEPES, , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 286K
Resolution 1.85 Å
3IK8 Structure-Based Design of Novel PIN1 Inhibitors (I) Deposited 2009-08-05 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 45–163（119 aa） Fragment：UNP residues 45-163, PIN1 PPIASE DOMAIN
Mutation：K77Q,K82Q No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；286 K；0.2M ammonium sulfate, 0.9M Na Citrate, 5mM TCEP, 100mM HEPES, , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 286K
Resolution 1.85 Å
3IKD Structure-Based Design of Novel PIN1 Inhibitors (I) Deposited 2009-08-05 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 45–163（119 aa） Fragment：UNP residues 45-163, PIN1 PPIASE DOMAIN
Mutation：K77Q,K82Q J9Z (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；286 K；0.2M ammonium sulfate, 0.9M Na Citrate, 5mM TCEP, 100mM HEPES: Compound @ 500uM soaked into apo crystal for 60hrs. , pH 8.0 , VAPOR DIFFUSION, HANGING DROP, temperature 286K
Resolution 2.00 Å R-free 0.203
3IKD Structure-Based Design of Novel PIN1 Inhibitors (I) Deposited 2009-08-05 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 45–163（119 aa） Fragment：UNP residues 45-163, PIN1 PPIASE DOMAIN
Mutation：K77Q,K82Q J9Z (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；286 K；0.2M ammonium sulfate, 0.9M Na Citrate, 5mM TCEP, 100mM HEPES: Compound @ 500uM soaked into apo crystal for 60hrs. , pH 8.0 , VAPOR DIFFUSION, HANGING DROP, temperature 286K
Resolution 2.00 Å R-free 0.203
3IKG Structure-Based Design of Novel PIN1 Inhibitors (I) Deposited 2009-08-05 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 45–163（119 aa） Fragment：UNP residues 45-163, PIN1 PPIASE DOMAIN
Mutation：K77Q,K82Q J8Z (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；286 K；0.2M ammonium sulfate, 0.9M Na Citrate, 5mM TCEP, 100mM HEPES: Compound @ 500uM soaked into apo crystal for 60hrs. , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 286K
Resolution 1.86 Å
3IKG Structure-Based Design of Novel PIN1 Inhibitors (I) Deposited 2009-08-05 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 45–163（119 aa） Fragment：UNP residues 45-163, PIN1 PPIASE DOMAIN
Mutation：K77Q,K82Q J8Z (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；286 K；0.2M ammonium sulfate, 0.9M Na Citrate, 5mM TCEP, 100mM HEPES: Compound @ 500uM soaked into apo crystal for 60hrs. , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 286K
Resolution 1.86 Å
3JYJ Structure-Based Design of Novel PIN1 Inhibitors (II) Deposited 2009-09-21 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 45–163（119 aa） Fragment：UNP residues 45-163, PIN1 PPIASE DOMAIN
Mutation：K77Q, K82Q JZI (2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；286 K；0.2M ammonium sulfate, 0.9M Na Citrate, 5mM TCEP, 100mM HEPES, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 286K
Resolution 1.87 Å R-free 0.258
3JYJ Structure-Based Design of Novel PIN1 Inhibitors (II) Deposited 2009-09-21 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 45–163（119 aa） Fragment：UNP residues 45-163, PIN1 PPIASE DOMAIN
Mutation：K77Q, K82Q JZI (2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；286 K；0.2M ammonium sulfate, 0.9M Na Citrate, 5mM TCEP, 100mM HEPES, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 286K
Resolution 1.87 Å R-free 0.258
3KAB Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Deposited 2009-10-19 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 1–163（163 aa）
Mutation：R14A 12P DODECAETHYLENE GLYCOL × 1 SO4 SULFATE ION × 1 4BL 6-methyl-1H-indole-2-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.2M Ammonium sulphate, 0.1M HEPES buffer, 1% PEG 400, 5mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.19 Å R-free 0.257
3KAC Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Deposited 2009-10-19 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 45–163（119 aa） Fragment：RESIDUES 45-163, PIN1 PPIASE DOMAIN
Mutation：K77Q, K82Q 4BX 3-(1H-benzimidazol-2-yl)propanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；1.8M Ammonium citrate, 0.1M Tris buffer, 5mM DTT, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.249
3KAC Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Deposited 2009-10-19 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 45–163（119 aa） Fragment：RESIDUES 45-163, PIN1 PPIASE DOMAIN
Mutation：K77Q, K82Q 4BX 3-(1H-benzimidazol-2-yl)propanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；1.8M Ammonium citrate, 0.1M Tris buffer, 5mM DTT, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.249
3KAD Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Deposited 2009-10-19 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 1–163（163 aa）
Mutation：R14A, Q131A 4C0 3-(1H-benzimidazol-2-yl)-N-(3-phenylpropanoyl)-D-alanine × 1 12P DODECAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.2M Ammonium sulphate, 0.1M HEPES buffer, 1% PEG 400, 5mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.95 Å R-free 0.248
3KAF Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Deposited 2009-10-19 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 1–163（163 aa）
Mutation：R14A, Q131A 4D9 3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.2M Ammonium sulphate, 0.1M HEPES buffer, 1% PEG 400, 5mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.30 Å R-free 0.312
3KAG Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Deposited 2009-10-19 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 1–163（163 aa）
Mutation：R14A 4D7 3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine × 1 12P DODECAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.2M Ammonium sulphate, 0.1M HEPES buffer, 1% PEG 400, 5mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.255
3KAH Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Deposited 2009-10-19 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 1–163（163 aa）
Mutation：R14A 12P DODECAETHYLENE GLYCOL × 1 4DH 3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.2M Ammonium sulphate, 0.1M HEPES buffer, 1% PEG 400, 5mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.30 Å R-free 0.274
3KAI Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Deposited 2009-10-19 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 1–163（163 aa）
Mutation：R14A 12P DODECAETHYLENE GLYCOL × 1 4FI (2R)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]-3-naphthalen-2-yl-propanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.2M Ammonium sulphate, 0.1M HEPES buffer, 1% PEG 400, 5mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.254
3KCE Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Deposited 2009-10-21 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 1–163（163 aa）
Mutation：R14A 12P DODECAETHYLENE GLYCOL × 1 4BY 5-methyl-1H-indole-2-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.2M Ammonium sulphate, 0.1M HEPES buffer, 1% PEG 400, 5mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.254
3NTP Human Pin1 complexed with reduced amide inhibitor Deposited 2010-07-05 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 1–163（163 aa）
Mutation：R14A RZD (2R)-2-(acetylamino)-3-[(2S)-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2M Ammonium Sulfate, 1% PEG400, 100mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
Resolution 1.76 Å R-free 0.266
3ODK Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution Deposited 2010-08-11 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 1–163（163 aa）
Mutation：R14A PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 ODK 3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.2M Ammonium sulphate, 0.1M HEPES buffer, 1% PEG 400, 5mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
Resolution 2.30 Å R-free 0.335
3OOB Structural and functional insights of directly targeting Pin1 by Epigallocatechin-3-gallate Deposited 2010-08-30 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 1–163（163 aa）
Mutation：R14A SO4 SULFATE ION × 1 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 3 KDH (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；2.2-2.7M Ammonium Sulfate, 1% PEG400, 1mM Dithiothreitol, 100mM HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.89 Å R-free 0.232
3TC5 Selective targeting of disease-relevant protein binding domains by O-phosphorylated natural product derivatives Deposited 2011-08-08 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 1–163（163 aa） Fragment：Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Mutation：R14A 3T5 (11alpha,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate × 1 P6G HEXAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；2.2M Ammonium sulphate, 0.1M HEPES buffer, 1% PEG 400,pH 7.5, vapor diffusion, sitting drop, temperature 277K, VAPOR DIFFUSION, SITTING DROP
Resolution 1.40 Å R-free 0.211
3TCZ Human Pin1 bound to cis peptidomimetic inhibitor Deposited 2011-08-09 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 6–163（158 aa） Fragment：UNP residues 6-163
Mutation：R14A R2Z N~2~-({(1R,2Z)-2-[(2R)-2-(formylamino)-3-(phosphonooxy)propylidene]cyclopentyl}carbonyl)-L-argininamide × 1 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 7.5；277 K；1.9-2.2 M ammonium sulfate, 1% PEG400 at pH 7.5 in 50 mM HEPES buffer, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.10 Å R-free 0.265
3TDB Human Pin1 bound to trans peptidomimetic inhibitor Deposited 2011-08-10 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 6–163（158 aa） Fragment：UNP residues 6-163
Mutation：R14A 3TB N-[(1E,2R)-1-[(2R)-2-{[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}cyclopentylidene]-3-(phosphonooxy)propan-2-yl]-L-phenylalaninamide × 1 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 7.5；277 K；1.9-2.2 M ammonium sulfate, 1% PEG400 at pH 7.5 in 50 mM HEPES buffer, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.27 Å R-free 0.256
3WH0 Structure of Pin1 Complex with 18-crown-6 Deposited 2013-08-20 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 1–163（163 aa）
Mutation：R14A SO4 SULFATE ION × 1 O4B 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE × 2 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；2.0-2.5M ammonium sulfate, 0.1M HEPES (pH 7.5), 1mM DTT, 25mM crown ether, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.60 Å R-free 0.247
4GWT Structure of racemic Pin1 WW domain cocrystallized with DL-malic acid Deposited 2012-09-03 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 6–39（34 aa） Fragment：WW domain from Pin1, (6-39)
Not recorded LMR (2S)-2-hydroxybutanedioic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；Peptide stock at 5 mg/mL (2.5 mg/mL L-peptide + 2.5 mg/L D-peptide), crystallized from 2.1 M DL-malic acid pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.25 Å R-free 0.260
4GWV Structure of racemic Pin1 WW domain cocrystallized with tri-ammonium citrate Deposited 2012-09-03 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 6–39（34 aa） Fragment：WW domain from Pin1, (6-39)
Not recorded FLC CITRATE ANION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；Peptide stock at 5 mg/mL (2.5 mg/mL L-peptide + 2.5 mg/L D-peptide), crystallized from 1.8 M tri-ammonium citrate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.05 Å R-free 0.269
4QIB Oxidation-Mediated Inhibition of the Peptidyl-Prolyl Isomerase Pin1 Deposited 2014-05-30 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 7–163（157 aa）
Mutation：R14A 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 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；20 mg/mL protein, 2.0 to 2.4 M ammonium sulfate, 1% poly(ethylene glycol) 400, 100 mM Hepes, 10 mM H2O2, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.86 Å R-free 0.185
4TNS Structure of Pin1 PPIase domain bound with all-trans retinoic acid Deposited 2014-06-04 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 43–163（121 aa） Fragment：UNP residues 43-163
Mutation：K77Q, K82Q REA RETINOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；297 K；0.2 M ammonium sulfate, 0.1 M HEPES pH7-8.5 and 0.9 M-1.4 M sodium citrate
Resolution 1.33 Å R-free 0.187
4TNS Structure of Pin1 PPIase domain bound with all-trans retinoic acid Deposited 2014-06-04 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 43–163（121 aa） Fragment：UNP residues 43-163
Mutation：K77Q, K82Q No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；297 K；0.2 M ammonium sulfate, 0.1 M HEPES pH7-8.5 and 0.9 M-1.4 M sodium citrate
Resolution 1.33 Å R-free 0.187
4TYO PPIase in complex with a non-phosphate small molecule inhibitor. Deposited 2014-07-08 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 45–163（119 aa） Fragment：PPIase Domain, UNP residues 45-163
Mutation：K77Q, K82Q 39X 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(naphthalen-2-ylcarbonyl)-D-alanine × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；286 K；10mM DTT, 100mM Hepes, 0.1% (v/v) NP-40, 1.6M NaCitrate. Compound in 5%DMSO soaked in to apo crystals @ 250uM.
Resolution 1.75 Å R-free 0.211
4TYO PPIase in complex with a non-phosphate small molecule inhibitor. Deposited 2014-07-08 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 45–163（119 aa） Fragment：PPIase Domain, UNP residues 45-163
Mutation：K77Q, K82Q 39X 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(naphthalen-2-ylcarbonyl)-D-alanine × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；286 K；10mM DTT, 100mM Hepes, 0.1% (v/v) NP-40, 1.6M NaCitrate. Compound in 5%DMSO soaked in to apo crystals @ 250uM.
Resolution 1.75 Å R-free 0.211
4U84 Human Pin1 with S-hydroxyl-cysteine 113 Deposited 2014-08-01 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 1–163（163 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 15P POLYETHYLENE GLYCOL (N=34) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1 M HEPES pH7.5 1 % PEG400 1.2-1.5M Ammonium sulfate
Resolution 1.78 Å R-free 0.224
4U85 Human Pin1 with cysteine sulfinic acid 113 Deposited 2014-08-01 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 1–163（163 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 15P POLYETHYLENE GLYCOL (N=34) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；50mM HEPES pH 7.5 1% PEG400 1.2-1.5M Ammonium sulfate
Resolution 1.70 Å R-free 0.245
4U86 Human Pin1 with cysteine sulfonic acid 113 Deposited 2014-08-01 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 1–163（163 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 1PG 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；50mM HEPES7.5 1% PEG400 1.2-1.5M Ammonium Sulfate
Resolution 1.60 Å R-free 0.231
5B3W Crystal structure of hPin1 WW domain (5-15) fused with maltose-binding protein in C2221 form Deposited 2016-03-17 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 5–15（11 aa） Fragment：UNP(Q13526) residues 5-15,UNP(P0AEX9) residues 27-393
Mutation：R382N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.2 M DL-malic acid
Resolution 2.40 Å R-free 0.214
5B3W Crystal structure of hPin1 WW domain (5-15) fused with maltose-binding protein in C2221 form Deposited 2016-03-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 5–15（11 aa） Fragment：UNP(Q13526) residues 5-15,UNP(P0AEX9) residues 27-393
Mutation：R382N CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.2 M DL-malic acid
Resolution 2.40 Å R-free 0.214
5B3X Crystal structure of hPin1 WW domain (5-15) fused with maltose-binding protein in P41212 form Deposited 2016-03-17 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 5–15（11 aa） Fragment：UNP(Q13526) residues 5-15,UNP(P0AEX9) residues 27-393
Mutation：R382N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.2 M DL-malic acid
Resolution 2.40 Å R-free 0.260
5B3Z Crystal structure of hPin1 WW domain (5-39) fused with maltose-binding protein Deposited 2016-03-17 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 5–39（35 aa） Fragment：UNP(Q13526) 5-39,UNP(P0AEX9) residues 27-393
Mutation：R403N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.6M ammonium citrate
Resolution 2.30 Å R-free 0.224
5B3Z Crystal structure of hPin1 WW domain (5-39) fused with maltose-binding protein Deposited 2016-03-17 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 5–39（35 aa） Fragment：UNP(Q13526) 5-39,UNP(P0AEX9) residues 27-393
Mutation：R403N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.6M ammonium citrate
Resolution 2.30 Å R-free 0.224
5B3Z Crystal structure of hPin1 WW domain (5-39) fused with maltose-binding protein Deposited 2016-03-17 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 5–39（35 aa） Fragment：UNP(Q13526) 5-39,UNP(P0AEX9) residues 27-393
Mutation：R403N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.6M ammonium citrate
Resolution 2.30 Å R-free 0.224
5B3Z Crystal structure of hPin1 WW domain (5-39) fused with maltose-binding protein Deposited 2016-03-17 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain D 5–39（35 aa） Fragment：UNP(Q13526) 5-39,UNP(P0AEX9) residues 27-393
Mutation：R403N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.6M ammonium citrate
Resolution 2.30 Å R-free 0.224
5BMY Crystal structure of hPin1 WW domain (5-21) fused with maltose-binding protein Deposited 2015-05-25 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 5–21（17 aa）
Mutation：R393N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；2.1 M DL-malic acid
Resolution 2.00 Å R-free 0.194
5GPH Solution structure of the Pin1-PPIase (S138A) mutant Deposited 2016-08-02 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 51–163（113 aa） Fragment：UNP RESIDUES 51-163
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.6；299 K；Ionic strength (raw mmCIF value) 250；Pressure 1
NMR sample composition 1 mM [U-13C; U-15N] Pin1 PPIase S138A mutant, 50 mM sodium phosphate, 100 mM sodium sulfate, 5 mM EDTA, 1 mM DTT, 0.03 % sodium azide, 6 % [U-2H] D2O, 94% H2O/6% D2O | 94% H2O/6% D2O
Resolution not provided
5UY9 Prolyl isomerase Pin1 R14A mutant bound with Brd4 peptide Deposited 2017-02-23 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 1–163（163 aa）
Mutation：R14A PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；140 mM NaCl, 2.7 mM KCl, 10 mM Na2HPO4 , 1.8 mM KH2PO4, PH 7.3
Resolution 1.85 Å R-free 0.291
5VTI Structure of Pin1 WW Domain Sequence 3 with [R,R]-ACPC Loop Substitution Deposited 2017-05-17 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 6–39（34 aa） Fragment：WW domain sequence 3 (UNP residues 6-39)
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.1 M Tris, pH 8.5, 3.0 M sodium chloride (Hampton Index #12), cryoprotection: dragged through Paratone-N prior to freezing
Resolution 1.80 Å R-free 0.275
5VTJ Structure of Pin1 WW Domain Sequence 1 Substituted with [S,S]ACPC Deposited 2017-05-17 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 6–39（34 aa） Fragment：WW domain sequence 1 (UNP residues 6-39)
Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.1 M sodium acetate, pH 4.5, 2.0 M ammonium sulfate (Hampton Index #2), cryoprotection: 4:1 Index #2:glycerol
Resolution 1.50 Å R-free 0.253
5VTK Structure of Pin1 WW Domain Variant 1 with beta3-Ser Loop Substitution Deposited 2017-05-17 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 6–39（34 aa） Fragment：WW domain sequence 1 (UNP residues 6-39)
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.1 M HEPES, pH 7.5, 4.3 M sodium chloride (Hampton CSII #36), crystal grew after ~6 months, treated with 4:1 (CS2 #36):glycerol prior to freezing in cryostream
Resolution 1.99 Å R-free 0.221
6DUN Crystal Structure Analysis of PIN1 Deposited 2018-06-21 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 46–163（118 aa） Fragment：PIN1
Mutation：K77Q, K82Q TAS TRIHYDROXYARSENITE(III) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；2 M ammonium citrate, pH 6.5
Resolution 1.59 Å R-free 0.199
6DUN Crystal Structure Analysis of PIN1 Deposited 2018-06-21 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 46–163（118 aa） Fragment：PIN1
Mutation：K77Q, K82Q TAS TRIHYDROXYARSENITE(III) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；2 M ammonium citrate, pH 6.5
Resolution 1.59 Å R-free 0.199
6O33 Crystal Structure Analysis of PIN1 Deposited 2019-02-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–163（163 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；298 K；100 mM HEPES, pH 7.2, 3.0 M ammonium sulfate
Resolution 1.74 Å R-free 0.237
6O34 Crystal Structure Analysis of PIN1 Deposited 2019-02-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–163（163 aa）
Not recorded 2PE NONAETHYLENE GLYCOL × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；100 mM HEPES, pH 7.2, 3.0 M ammonium sulfate
Resolution 1.57 Å R-free 0.251
6SVC Protein allostery of the WW domain at atomic resolution: apo structure Deposited 2019-09-18 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 6–39（34 aa）
Mutation：S18N, W34F No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6；277.15 K；Ionic strength (raw mmCIF value) 0.15；Pressure AMBIENT
NMR sample composition 1.2 nM [U-100% 13C; U-100% 15N] Pin1 WW domain, 97% H2O/3% D2O | 97% H2O/3% D2O
Resolution not provided
6SVE Protein allostery of the WW domain at atomic resolution: pCdc25C bound structure Deposited 2019-09-18 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 6–39（34 aa）
Mutation：S18N, W34F No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6；277.15 K；Ionic strength (raw mmCIF value) 0.15；Pressure AMBIENT
NMR sample composition 1.2 mM [U-100% 13C; U-100% 15N] Pin1 WW domain, 4.8 mM pCdc25C, 97% H2O/3% D2O | 97% H2O/3% D2O
Resolution not provided
6SVH Protein allostery of the WW domain at atomic resolution: FFpSPR bound structure Deposited 2019-09-18 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 6–39（34 aa）
Mutation：S18N, W34F No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6；277.15 K；Ionic strength (raw mmCIF value) 0.15；Pressure AMBIENT
NMR sample composition 1.2 mM [U-100% 13C; U-100% 15N] Pin1 WW domain, 12 mM FFpSPR, 97% H2O/3% D2O | 97% H2O/3% D2O
Resolution not provided
6VAJ Crystal Structure Analysis of human PIN1 Deposited 2019-12-17 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 1–163（163 aa）
Mutation：K77Q, K82Q QT7 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide × 1 SO4 SULFATE ION × 2 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100mM HEPES-7.5, 3.0M ammonium sulfate
Resolution 1.42 Å R-free 0.214
7AOG 14-3-3 sigma in complex with Pin1 binding site pS72 Deposited 2020-10-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 4 CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.50 Å R-free 0.184
7AXN 14-3-3 sigma in complex with Pin1 binding site pS72 and covalently bound TCF521-026 Deposited 2020-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) S6B 3-chloranyl-4-imidazol-1-yl-benzaldehyde × 2 CA CALCIUM ION × 8 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.182
7AYF 14-3-3 sigma with Pin1 binding site pS72 and covalently bound TCF521-110 Deposited 2020-11-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) S9E 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde × 2 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.75 Å R-free 0.217
7AZ1 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1013 Deposited 2020-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) SGH 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole × 2 CA CALCIUM ION × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.15 Å R-free 0.192
7AZ2 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1014 Deposited 2020-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) SFW 1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole × 2 CA CALCIUM ION × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.08 Å R-free 0.197
7BDP 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1017 Deposited 2020-12-22 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 P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TJB 2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.75 Å R-free 0.216
7BDT 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1009 Deposited 2020-12-22 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 P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TJ8 2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.75 Å R-free 0.202
7BDY 14-3-3 sigma with Pin1 binding site pS72 and covalently bound PC2068B Deposited 2020-12-22 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 P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TJK 2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde × 2 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.199
7BFW 14-3-3 sigma with Pin1 binding site pS72 and covalently bound PC2068A Deposited 2021-01-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TKH [4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-phenyl]methanol × 2 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.243
7BG3 14-3-3 sigma with Pin1 binding site pS72 and covalently bound PC2046 Deposited 2021-01-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TKK 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole × 2 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.40 Å R-free 0.190
7BGQ 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1019 Deposited 2021-01-08 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 P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TL8 2-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde × 2 CA CALCIUM ION × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.75 Å R-free 0.208
7BGR 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1016 Deposited 2021-01-08 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 P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TQK 2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde × 2 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.211
7BGV 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1012 Deposited 2021-01-08 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 P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TLK 3-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde × 2 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.68 Å R-free 0.246
7BGW 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1011 Deposited 2021-01-08 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 P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TLQ 4-(2-phenylimidazol-1-yl)naphthalene-1-carbaldehyde × 2 CA CALCIUM ION × 4 CL CHLORIDE ION × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.90 Å R-free 0.203
7EFJ Crystal Structure Analysis of human PIN1 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 monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–163（163 aa）
Mutation：R14A J2C 8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277.15 K；2M Ammonium Sulfate, 1% PEG400, 100mM HEPES, pH 7.5
Resolution 1.99 Å R-free 0.221
7EFX Crystal Structure of human PIN1 complexed with covalent inhibitor Deposited 2021-03-23 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 1–163（163 aa）
Mutation：R14A J3X 4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277.15 K；2M Ammonium Sulfate, 1% PEG400, 100mM HEPES, pH 7.5
Resolution 2.41 Å R-free 0.276
7EKV Crystal Structure of human Pin1 complexed with a covalent inhibitor Deposited 2021-04-06 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 1–163（163 aa）
Mutation：R14A J50 8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277.15 K；2M Ammonium Sulfate, 1% PEG400, 100mM HEPES, pH 7.5
Resolution 1.95 Å R-free 0.235
7F0M Crystal Structure of human Pin1 complexed with a potent covalent inhibitor Deposited 2021-06-05 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 1–163（163 aa）
Mutation：R14A 0BF 8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one × 1 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；289.15 K；30% PEG400, 100mM Tris, pH 8.0
Resolution 1.90 Å R-free 0.247
7F0M Crystal Structure of human Pin1 complexed with a potent covalent inhibitor Deposited 2021-06-05 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 1–163（163 aa）
Mutation：R14A 0BF 8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one × 1 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；289.15 K；30% PEG400, 100mM Tris, pH 8.0
Resolution 1.90 Å R-free 0.247
7F0M Crystal Structure of human Pin1 complexed with a potent covalent inhibitor Deposited 2021-06-05 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 1–163（163 aa）
Mutation：R14A 0BF 8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one × 1 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；289.15 K；30% PEG400, 100mM Tris, pH 8.0
Resolution 1.90 Å R-free 0.247
7F0M Crystal Structure of human Pin1 complexed with a potent covalent inhibitor Deposited 2021-06-05 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 1–163（163 aa）
Mutation：R14A 0BF 8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one × 1 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；289.15 K；30% PEG400, 100mM Tris, pH 8.0
Resolution 1.90 Å R-free 0.247
7NIF 14-3-3 sigma with Pin1 binding site pS72 and covalently bound TCF521-011 Deposited 2021-02-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) P5N 1-(4-methylphenyl)imidazole × 2 CA CALCIUM ION × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.71 Å R-free 0.239
7NIG 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1008 Deposited 2021-02-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UFH 2-bromanyl-4-imidazol-1-yl-benzaldehyde × 2 CA CALCIUM ION × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.90 Å R-free 0.205
7NJ6 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1005 Deposited 2021-02-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UG5 4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde × 2 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.59 Å R-free 0.207
7NJ8 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1007 Deposited 2021-02-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) JFS [4-(1H-benzimidazol-1-yl)phenyl]methanol × 2 CA CALCIUM ION × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.200
7NJA 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1006 Deposited 2021-02-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UG2 [4-(2-phenylimidazol-1-yl)phenyl]methanol × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.75 Å R-free 0.265
7NRK 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1002F1 Deposited 2021-03-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UPQ 4-(4-methylimidazol-1-yl)benzaldehyde × 2 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.75 Å R-free 0.216
7NRL 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1032 Deposited 2021-03-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UPK 2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol × 6 GOL GLYCEROL × 4 PEG DI(HYDROXYETHYL)ETHER × 4 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
Resolution 1.80 Å R-free 0.225
7OQ9 Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ136 Deposited 2021-06-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 0AW ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH7.1, 27%PEG 400, 0.19 M CaCl2, and 5 % Glycerol
Resolution 1.80 Å R-free 0.197
7OQA Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ162 Deposited 2021-06-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 09W ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH7.1, 27%PEG 400, 0.19 M CaCl2, and 5 % Glycerol
Resolution 1.80 Å R-free 0.213
7SA5 Two-state solution NMR structure of Apo Pin1 Deposited 2021-09-22 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 1–163（163 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.5；298 K；Ionic strength (raw mmCIF value) 50；Pressure ambient
NMR sample composition 2 mM [U-13C; U-15N] Pin1, 20 mM NaP, 50 mM sodium chloride, 0.03 % NaN3, 95% H2O/5% D2O | 95% H2O/5% D2O
Resolution not provided
7SUQ Two-state solution NMR structure of Pin1 bound to peptide FFpSPR Deposited 2021-11-17 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 1–163（163 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.5；298 K；Ionic strength (raw mmCIF value) 50；Pressure 1
NMR sample composition 600 uM [U-99% 13C; U-99% 15N] Pin1, 3.6 mM FFpSPR, 20 mM NaPO4, 50 mM sodium chloride, 5 mM DTT, 0.03 % sodium azide, 95% H2O/5% D2O | 95% H2O/5% D2O
Resolution not provided
7SUR Two-state solution NMR structure of Pin1 bound to peptide pCDC25c Deposited 2021-11-17 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 1–163（163 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.5；298 K；Ionic strength (raw mmCIF value) 50；Pressure 1
NMR sample composition 750 uM [U-99% 13C; U-99% 15N] Pin1, 4 mM pCDC25c, 20 mM NaPO4, 50 mM sodium chloride, 0.03 % sodium azide, 5 mM DTT, 95% H2O/5% D2O | 95% H2O/5% D2O
Resolution not provided
8C2G 14-3-3 sigma with Pin1 binding site pS72 and covalently bound CV1040 Deposited 2022-12-22 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 P 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) T85 2-iodanyl-4-(2-phenylimidazol-1-yl)benzaldehyde × 2 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；HEPES, magnesium chloride, calcium chloride, 2-mercaptoethanol, PEG400, glycerol. DMSO
Resolution 1.60 Å R-free 0.186
8C3C 14-3-3 sigma with Pin1 binding site pS72 and bound Fusicoccin A 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 heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 61–77（17 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) FSC FUSICOCCIN × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；HEPES, magnesium chloride, calcium chloride, 2-mercaptoethanol, PEG400, glycerol, DMSO
Resolution 1.60 Å R-free 0.200
8SG2 BIVALENT INTERACTIONS OF PIN1 WITH THE C-TERMINAL TAIL OF PKC Deposited 2023-04-11 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–163（163 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.66；298 K；Ionic strength (raw mmCIF value) 0.1；Pressure 1
NMR measurement conditions pH 6.66；298 K；Ionic strength (raw mmCIF value) 0.1；Pressure 1
NMR sample composition 1.05 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 0.9 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O | 92% H2O/8% D2O
NMR sample composition 1.05 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 0.9 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 100% D2O | 100% D2O
NMR sample composition 1 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 1.3 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O | 92% H2O/8% D2O
NMR sample composition 0.8 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 5.5 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O | 92% H2O/8% D2O
NMR sample composition 0.5 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 1.8 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O | 92% H2O/8% D2O
NMR sample composition 0.5 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 2.5 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O | 92% H2O/8% D2O
NMR sample composition 1 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 1.5 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O | 92% H2O/8% D2O
NMR sample composition 1.3 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 1 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O | 92% H2O/8% D2O
NMR sample composition 0.8 mM [U-13C; U-15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, 1.3 mM The C-terminal tail of PKC, 10 mM [U-100% 2H] imidazole, 100 mM potassium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 92% H2O/8% D2O | 92% H2O/8% D2O
Resolution not provided
8VJD Human R14A Pin1 covalently bound to inhibitor 158F10 in P21 21 21 space group Deposited 2024-01-06 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 1–163（163 aa）
Mutation：R14A P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；HEPES-NaOH, Ammonium sulfate, PEG400, DTT
Resolution 1.57 Å R-free 0.218
8VJD Human R14A Pin1 covalently bound to inhibitor 158F10 in P21 21 21 space group Deposited 2024-01-06 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 1–163（163 aa）
Mutation：R14A P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；HEPES-NaOH, Ammonium sulfate, PEG400, DTT
Resolution 1.57 Å R-free 0.218
8VJE Human R14A Pin1 covalently bound to inhibitor 158F10 Deposited 2024-01-06 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 1–163（163 aa）
Mutation：R14A SO4 SULFATE ION × 5 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；HEPES-NaOH, BisTris, PEG400, TCEP
Resolution 1.70 Å R-free 0.227
8VJF Human R14A Pin1 covalently bound to inhibitor 158D9 Deposited 2024-01-06 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 1–163（163 aa）
Mutation：R14A P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；HEPES-NaOH, BisTris, PEG400, TCEP
Resolution 1.70 Å R-free 0.257
8VJG Human R14A Pin1 covalently bound to inhibitor 164A10 Deposited 2024-01-06 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 1–163（163 aa）
Mutation：R14A A1ACH Nalpha-{(2S)-1-[(3S)-2-acetyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]piperidine-2-carbonyl}-5-fluoro-L-tryptophanamide × 1 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；277 K；HEPES-NaOH, Ammonium sulfate, PEG400, DTT
Resolution 1.58 Å R-free 0.229
8VZ3 Structure of human PIN1 covalently derivatized with SuFEx compound Deposited 2024-02-09 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 1–163（163 aa）
Not recorded A1AEL 3-(fluorosulfonyl)-5-({[(1S)-2-oxocyclopentyl]methyl}carbamoyl)benzoic acid × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.0 M ammonium sulfate, 0.1 M sodium HEPES, 1% v/v polyethylene glycol 400
Resolution 1.65 Å R-free 0.221
8VZ5 Structure of human PIN1 covalently derivatized with SuFEx compound Deposited 2024-02-09 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 1–163（163 aa）
Not recorded A1AEM 4-[fluoro(dihydroxy)-lambda~4~-sulfanyl]benzoic acid × 1 SO4 SULFATE ION × 2 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 7.5；277 K；2.0 M ammonium sulfate, 0.1 M sodium HEPES, 1% v/v polyethylene glycol 400
Resolution 1.95 Å R-free 0.243
8W11 Structure of human PIN1 covalently derivatized with SuFEx compound Deposited 2024-02-14 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 1–163（163 aa）
Not recorded A1AET 3-(fluorosulfonyl)-5-[(2-oxo-2H-1-benzopyran-3-yl)carbamoyl]benzoic acid × 1 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.0 M ammonium sulfate, 0.1 M sodium HEPES, 1% v/v polyethylene glycol 400
Resolution 2.20 Å R-free 0.222
8W11 Structure of human PIN1 covalently derivatized with SuFEx compound Deposited 2024-02-14 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 1–163（163 aa）
Not recorded A1AET 3-(fluorosulfonyl)-5-[(2-oxo-2H-1-benzopyran-3-yl)carbamoyl]benzoic acid × 1 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；2.0 M ammonium sulfate, 0.1 M sodium HEPES, 1% v/v polyethylene glycol 400
Resolution 2.20 Å R-free 0.222
9INN Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain complexed with a covalent inhibitor Deposited 2024-07-08 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 51–163（113 aa） Fragment：catalytic domain
Not recorded A1D9T methyl (~{E})-4-[[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-4-oxidanylidene-but-2-enoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；(NH4)2SO4 0.2 M, Sodium citrate 1.2 M,HEPES 100 mM
Resolution 2.08 Å R-free 0.209
9INN Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain complexed with a covalent inhibitor Deposited 2024-07-08 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 51–163（113 aa） Fragment：catalytic domain
Not recorded A1D9T methyl (~{E})-4-[[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-4-oxidanylidene-but-2-enoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；(NH4)2SO4 0.2 M, Sodium citrate 1.2 M,HEPES 100 mM
Resolution 2.08 Å R-free 0.209
9INO Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor Deposited 2024-07-08 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 45–163（119 aa） Fragment：catalytic domain
Not recorded A1D9U 2-methylpropyl (~{E})-4-[[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-4-oxidanylidene-but-2-enoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；(NH4)2SO4 0.2 M, Sodium citrate 1.2 M,HEPES 100 mM
Resolution 2.13 Å R-free 0.213
9INO Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor Deposited 2024-07-08 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 45–163（119 aa） Fragment：catalytic domain
Not recorded A1D9U 2-methylpropyl (~{E})-4-[[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-4-oxidanylidene-but-2-enoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；(NH4)2SO4 0.2 M, Sodium citrate 1.2 M,HEPES 100 mM
Resolution 2.13 Å R-free 0.213
9INP Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor Deposited 2024-07-08 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 45–163（119 aa） Fragment：catalytic domain
Not recorded A1D9X ~{N}-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-2-chloranyl-~{N}-(2,2-dimethylpropyl)-5-nitro-pyrimidin-4-amine × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；(NH4)2SO4 0.2 M, Sodium citrate 1.2 M,HEPES 100 mM
Resolution 2.57 Å R-free 0.260
9INP Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor Deposited 2024-07-08 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 45–163（119 aa） Fragment：catalytic domain
Not recorded A1D9X ~{N}-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-2-chloranyl-~{N}-(2,2-dimethylpropyl)-5-nitro-pyrimidin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；(NH4)2SO4 0.2 M, Sodium citrate 1.2 M,HEPES 100 mM
Resolution 2.57 Å R-free 0.260
9INQ Crystal Structure of human Pin1 catalytic domain in complex with a covalent inhibitor Deposited 2024-07-08 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 45–163（119 aa） Fragment：catalytic domain
Not recorded A1D9W ~{N}-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-2-chloranyl-5-nitro-pyrimidin-4-amine × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；(NH4)2SO4 0.2 M, Sodium citrate 1.2 M,HEPES 100 mM
Resolution 2.17 Å R-free 0.254
9INQ Crystal Structure of human Pin1 catalytic domain in complex with a covalent inhibitor Deposited 2024-07-08 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 45–163（119 aa） Fragment：catalytic domain
Not recorded A1D9W ~{N}-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-2-chloranyl-5-nitro-pyrimidin-4-amine × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；(NH4)2SO4 0.2 M, Sodium citrate 1.2 M,HEPES 100 mM
Resolution 2.17 Å R-free 0.254
9INR Crystal structure of PIN1 in complex with inhibitor C3 Deposited 2024-07-08 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 1–163（163 aa）
Chain B 1–163（163 aa）
Not recorded A1D9K ~{N}-[(2~{S})-3-[1-[4-(4-cyanophenyl)phenyl]-1,2,3-triazol-4-yl]-1-[(3-oxidanylcyclobutyl)amino]-1-oxidanylidene-propan-2-yl]-1-phenyl-cyclopropane-1-carboxamide × 2 SO4 SULFATE ION × 3 PE3 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；0.1 M MES (pH 6.5), 0.2 M Ammonium sulfate, 24~33% (v/v) PEG5K MME
Resolution 1.93 Å R-free 0.230
9IT1 Crystal structure of Pin1 using laue diffraction Deposited 2024-07-19 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 1–163（163 aa）
Not recorded P3G 3,6,9,12,15-PENTAOXAHEPTADECANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；277 K；0.1M HEPES PH(7.5), 1% PEG400,2.2M (NH4)2SO4
Resolution 2.00 Å R-free 0.339
9JF6 Crystal Structure of human Pin1 in complex with a covalent inhibitor Deposited 2024-09-04 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 6–163（158 aa）
Not recorded A1EBR methyl (~{Z})-4-[1-benzothiophen-2-ylmethyl-[(3~{S})-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-4-oxidanylidene-but-2-enoate × 1 1PG 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；(NH4)2SO4 2.4 M, HEPES-Na 0.1 M, PEG 400 1.0% (v/v) pH 7.5
Resolution 2.96 Å R-free 0.278
9JFH Crystal Structure of human Pin1 catalytic domain in complex with a covalent inhibitor Deposited 2024-09-04 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 45–163（119 aa） Fragment：catalytic domain
Not recorded A1EBS methyl (~{Z})-4-[[4,4-bis(fluoranyl)cyclohexyl]amino]-4-oxidanylidene-but-2-enoate × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；(NH4)2SO4 0.2 M, Sodium citrate 1.2 M,HEPES 100 mM
Resolution 2.56 Å R-free 0.232
9JFH Crystal Structure of human Pin1 catalytic domain in complex with a covalent inhibitor Deposited 2024-09-04 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 45–163（119 aa） Fragment：catalytic domain
Not recorded A1EBS methyl (~{Z})-4-[[4,4-bis(fluoranyl)cyclohexyl]amino]-4-oxidanylidene-but-2-enoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；(NH4)2SO4 0.2 M, Sodium citrate 1.2 M,HEPES 100 mM
Resolution 2.56 Å R-free 0.232
9JJS Crystal Structure of human Pin1 catalytic domain in complex with a covalent inhibitor Deposited 2024-09-14 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 45–163（119 aa） Fragment：catalytic domain
Not recorded A1D9T methyl (~{E})-4-[[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-4-oxidanylidene-but-2-enoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；(NH4)2SO4 0.2 M, Sodium citrate 1.2 M,HEPES 100 mM
Resolution 1.52 Å R-free 0.210
9JJS Crystal Structure of human Pin1 catalytic domain in complex with a covalent inhibitor Deposited 2024-09-14 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 45–163（119 aa） Fragment：catalytic domain
Not recorded A1D9T methyl (~{E})-4-[[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-4-oxidanylidene-but-2-enoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；(NH4)2SO4 0.2 M, Sodium citrate 1.2 M,HEPES 100 mM
Resolution 1.52 Å R-free 0.210
9JJZ Crystal Structure of human Pin1 catalytic domain in complex with a covalent inhibitor Deposited 2024-09-14 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 45–163（119 aa） Fragment：catalytic domain
Not recorded A1ECA methyl 4-[[(3~{S})-1,1-bis(oxidanylidene)thiolan-3-yl]-(2,2-dimethylpropyl)amino]-4-oxidanylidene-but-2-enoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；(NH4)2SO4 0.2 M, Sodium citrate 1.2 M,HEPES 100 mM
Resolution 1.61 Å R-free 0.239
9JJZ Crystal Structure of human Pin1 catalytic domain in complex with a covalent inhibitor Deposited 2024-09-14 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 45–163（119 aa） Fragment：catalytic domain
Not recorded A1ECA methyl 4-[[(3~{S})-1,1-bis(oxidanylidene)thiolan-3-yl]-(2,2-dimethylpropyl)amino]-4-oxidanylidene-but-2-enoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；(NH4)2SO4 0.2 M, Sodium citrate 1.2 M,HEPES 100 mM
Resolution 1.61 Å R-free 0.239
9JYO Crystal structure of the Pin1 and fragment 2 complex. Deposited 2024-10-12 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 1–163（163 aa）
Not recorded A1EDY 2-(4-aminophenyl)ethanoic acid × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.60 Å R-free 0.221
9JYP Crystal structure of the PIN1 and fragment 3 complex Deposited 2024-10-12 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 1–163（163 aa）
Not recorded A1EDZ 4-oxidanylidene-4-thiophen-2-yl-butanoic acid × 1 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.60 Å R-free 0.216
9JYR Crystal structure of the PIN1 and fragment 4 complex Deposited 2024-10-12 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 1–163（163 aa）
Not recorded A1ED0 1H-indol-4-ylmethanol × 2 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 40
Resolution 1.65 Å R-free 0.218
9JYS Crystal structure of the PIN1 and fragment 5 complex. Deposited 2024-10-12 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 1–163（163 aa）
Not recorded A1ED1 4-(aminomethyl)-N,N-dimethyl-aniline × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.75 Å R-free 0.237
9JYT Crystal structure of the PIN1 and fragment 1 complex. Deposited 2024-10-12 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 1–163（163 aa）
Not recorded PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 A1EDX Idramantone × 1 SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.2M AMMONIUM SULPHATE, 0.1M HEPES BUFFER, 1% PEG 400,
Resolution 1.85 Å R-free 0.233
9JYV Crystal structure of the PIN1 and fragment 6 complex. Deposited 2024-10-12 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 1–163（163 aa）
Not recorded PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 A1ED2 1-methylpyridin-2-one × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.80 Å R-free 0.240
9JZ2 Crystal structure of the PIN1 and fragment 7 complex. Deposited 2024-10-13 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 1–163（163 aa）
Not recorded A1ED3 N-(5-azanyl-2-methyl-phenyl)ethanamide × 2 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 3 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.55 Å R-free 0.209
9JZ3 Crystal structure of the PIN1 and fragment 8 complex. Deposited 2024-10-13 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 1–163（163 aa）
Not recorded A1ED4 3H-benzimidazol-5-ylmethanol × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.98 Å R-free 0.244
9JZ4 Crystal structure of the PIN1 and fragment 9 complex. Deposited 2024-10-13 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 1–163（163 aa）
Not recorded A1ED5 1,3-dihydro-2-benzofuran-5-amine × 1 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.82 Å R-free 0.269
9JZ6 Crystal structure of the PIN1 and fragment 11 complex. Deposited 2024-10-14 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 1–163（163 aa）
Not recorded A1ED7 1,3,4-thiadiazol-2-amine × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.65 Å R-free 0.225
9JZG Crystal structure of the PIN1 and fragment 12 complex. Deposited 2024-10-14 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 1–163（163 aa）
Not recorded A1ED8 2-(4-hydroxyphenyl)ethanamide × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.76 Å R-free 0.237
9JZS Crystal structure of the PIN1 and fragment 13 complex. Deposited 2024-10-14 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 1–163（163 aa）
Not recorded A1AT6 (2S)-2,3-dihydro-1H-indole-2-carboxylic acid × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.91 Å R-free 0.250
9JZU Crystal structure of the PIN1 and fragment 14 complex. Deposited 2024-10-14 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 1–163（163 aa）
Not recorded A1ED9 1-(1H-pyrrol-3-yl)ethanone × 3 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.68 Å R-free 0.240
9JZV Crystal structure of the PIN1 and fragment 15 complex. Deposited 2024-10-14 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 1–163（163 aa）
Not recorded PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 A1EEA 1,3-dimethylimidazolidin-2-one × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.90 Å R-free 0.275
9KE5 Crystal structure of the PIN1 and fragment 16 complex. Deposited 2024-11-04 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 1–163（163 aa）
Not recorded PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 A1EE3 4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 2.05 Å R-free 0.249
9KE7 Crystal structure of the PIN1 and fragment 23 complex. Deposited 2024-11-04 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 1–163（163 aa）
Not recorded A1EE7 N-ethyl-4-fluoranyl-benzenesulfonamide × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.68 Å R-free 0.227
9KE9 Crystal structure of the PIN1 and fragment 22 complex. Deposited 2024-11-04 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 1–163（163 aa）
Not recorded A1BDV (2H-1,3-benzodioxol-5-yl)methanol × 2 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 2.25 Å R-free 0.239
9KEB Crystal structure of the PIN1 and fragment 24 complex. Deposited 2024-11-04 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 1–163（163 aa）
Not recorded A1EE8 [2-(4-methyl-1,4-diazepan-1-yl)phenyl]methanol × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.65 Å R-free 0.212
9KEC Crystal structure of the PIN1 and fragment 25 complex. Deposited 2024-11-04 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 1–163（163 aa）
Not recorded PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 A1EE6 N-[(4-fluorophenyl)methyl]-4-oxidanyl-butanamide × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.68 Å R-free 0.221
9KEL Crystal structure of the PIN1 and fragment 26 complex. Deposited 2024-11-05 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 1–163（163 aa）
Not recorded PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 A1EFA 6-Quinolinylmethanol × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.96 Å R-free 0.245
9KEQ Crystal structure of the PIN1 and fragment 27 complex. Deposited 2024-11-05 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 1–163（163 aa）
Not recorded A1EFB 3-(4-methylpiperazin-1-yl)aniline × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.53 Å R-free 0.216
9KES Crystal structure of the PIN1 and fragment 28 complex. Deposited 2024-11-05 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 1–163（163 aa）
Not recorded A1EFC (3-pyrimidin-5-ylphenyl)methanol × 2 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.62 Å R-free 0.242
9KEW Crystal structure of the PIN1 and fragment 29 complex. Deposited 2024-11-05 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 1–163（163 aa）
Not recorded A1EFD 2,3-dihydro-1-benzofuran-7-ylmethanol × 2 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.60 Å R-free 0.218
9KEY Crystal structure of the PIN1 and fragment 30 complex. Deposited 2024-11-05 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 1–163（163 aa）
Not recorded A1EFE 2,1,3-benzothiadiazol-5-ylmethanol × 2 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 2.49 Å R-free 0.287
9KEZ Crystal structure of the PIN1 and fragment 31 complex. Deposited 2024-11-05 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 1–163（163 aa）
Not recorded DBJ 2,3-dihydro-1,4-benzodioxin-5-ylmethanol × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.95 Å R-free 0.247
9KF0 Crystal structure of the PIN1 and fragment 32 complex. Deposited 2024-11-05 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 1–163（163 aa）
Not recorded A1EFF (2,5-dimethylpyrazol-3-yl)methanol × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.82 Å R-free 0.273
9KFC Crystal structure of the PIN1 and fragment 40 complex. Deposited 2024-11-05 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 1–163（163 aa）
Not recorded A1AYA [2-(4-methylpiperazin-1-yl)phenyl]methanol × 2 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.56 Å R-free 0.226
9KFH Crystal structure of the PIN1 and fragment 52 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 monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–163（163 aa）
Not recorded A1EFG 2-methylfuran-3-carboxylic acid × 2 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.59 Å R-free 0.239
9KFZ Crystal structure of the PIN1 and fragment 59 complex Deposited 2024-11-07 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 1–163（163 aa）
Not recorded A1EFO 6-methylpyridine-2-carboxylic acid × 4 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.43 Å R-free 0.217
9KG9 Crystal structure of the PIN1 and fragment 18 complex. 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 1–163（163 aa）
Not recorded A1EFP 3-methoxythiophene-2-carboxylic acid × 6 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.55 Å R-free 0.217
9KGO Crystal structure of the PIN1 and fragment 19 complex. 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 1–163（163 aa）
Not recorded A1EFQ 1-(1H-pyrazol-3-yl)ethanone × 4 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.62 Å R-free 0.207
9KX1 Crystal structure of the PIN1 and fragment 17 complex. Deposited 2024-12-06 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 1–163（163 aa）
Not recorded A1EHL 2-(trifluoromethyl)pyrimidin-4-ol × 2 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.70 Å R-free 0.254
9KX7 Crystal structure of the PIN1 and fragment 34 complex. Deposited 2024-12-06 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 1–163（163 aa）
Not recorded A1EHC imidazo[1,2-a]pyridin-6-ylmethanol × 3 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.53 Å R-free 0.201
9KX9 Crystal structure of the PIN1 and fragment 35 complex. Deposited 2024-12-06 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 1–163（163 aa）
Not recorded A1EHD (1-methylindazol-3-yl)methanol × 3 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.62 Å R-free 0.237
9KXC Crystal structure of the PIN1 and fragment 36 complex. Deposited 2024-12-06 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 1–163（163 aa）
Not recorded A1EHE quinolin-5-amine × 2 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.53 Å R-free 0.233
9KXD Crystal structure of the PIN1 and fragment 37 complex. Deposited 2024-12-06 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 1–163（163 aa）
Not recorded 53E 2,3-dihydro-1,4-benzodioxine-5-carboxylic acid × 2 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.60 Å R-free 0.221
9KXE Crystal structure of the PIN1 and fragment 38 complex. Deposited 2024-12-06 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 1–163（163 aa）
Not recorded PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 A1EHF 4-methylthiophene-2-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.61 Å R-free 0.225
9KXF Crystal structure of the PIN1 and fragment 39 complex. Deposited 2024-12-06 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 1–163（163 aa）
Not recorded A1EHG ~{N}-(2-fluorophenyl)ethanamide × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.71 Å R-free 0.250
9KXG Crystal structure of the PIN1 and fragment 41 complex. Deposited 2024-12-06 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 1–163（163 aa）
Not recorded M4T ~{N}-pyridin-3-ylethanamide × 2 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 3 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.58 Å R-free 0.230
9KXH Crystal structure of the PIN1 and fragment 42 complex Deposited 2024-12-06 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 1–163（163 aa）
Not recorded A1EHO 2,6-bis(fluoranyl)benzamide × 2 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.68 Å R-free 0.236
9KXI Crystal structure of the PIN1 and fragment 31 complex. Deposited 2024-12-06 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 1–163（163 aa）
Not recorded A1EHY 2-(2-methylimidazol-1-yl)aniline × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.77 Å R-free 0.223
9KXJ Crystal structure of the PIN1 and fragment 53 complex Deposited 2024-12-06 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 1–163（163 aa）
Mutation：R14A A1EVL (3S,11R)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol × 1 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.57 Å R-free 0.235
9KXK Crystal structure of the PIN1 and fragment 54 complex Deposited 2024-12-06 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 1–163（163 aa）
Not recorded A1EFQ 1-(1H-pyrazol-3-yl)ethanone × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.96 Å R-free 0.288
9KXL Crystal structure of the PIN1 and fragment 56 complex. Deposited 2024-12-06 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 1–163（163 aa）
Not recorded A1EHQ 2-phenoxyethanamine × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.70 Å R-free 0.265
9KXM Crystal structure of the PIN1 and fragment 57 complex. Deposited 2024-12-06 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 1–163（163 aa）
Not recorded A1ERZ (1~{S})-1-(1~{H}-benzimidazol-2-yl)ethanol × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.64 Å R-free 0.249
9KXN Crystal structure of the PIN1 and fragment 58 complex. Deposited 2024-12-06 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 1–163（163 aa）
Not recorded A1EHR 5-methyl-1,2-oxazole-3-carbohydrazide × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.67 Å R-free 0.245
9KXO Crystal structure of the PIN1 and fragment 21 complex. Deposited 2024-12-07 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 1–163（163 aa）
Not recorded UUY 2-[methyl(pyridin-2-yl)amino]ethan-1-ol × 2 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.75 Å R-free 0.223
9KXP Crystal structure of the PIN1 and fragment 33 complex. Deposited 2024-12-07 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 1–163（163 aa）
Not recorded A1EHB (2,4-dimethyl-1,3-thiazol-5-yl)methanol × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.81 Å R-free 0.267
9KXQ Crystal structure of the PIN1 and fragment 55 complex. Deposited 2024-12-07 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 1–163（163 aa）
Not recorded A1EHP (3,5-dimethyl-1,2-oxazol-4-yl)methanol × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.69 Å R-free 0.235
9V6G Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor Deposited 2025-05-27 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 45–163（119 aa） Fragment：catalytic domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.217
9V6G Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor Deposited 2025-05-27 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 45–163（119 aa） Fragment：catalytic domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.217
9V6I Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor Deposited 2025-05-27 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 45–163（119 aa） Fragment：catalytic domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.46 Å R-free 0.263
9V6I Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor Deposited 2025-05-27 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 45–163（119 aa） Fragment：catalytic domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.46 Å R-free 0.263
9V6P Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor Deposited 2025-05-27 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 45–163（119 aa） Fragment：catalytic domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.99 Å R-free 0.226
9V6P Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor Deposited 2025-05-27 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 45–163（119 aa） Fragment：catalytic domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.99 Å R-free 0.226
9V6W Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor Deposited 2025-05-27 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 45–163（119 aa） Fragment：catalytic domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å R-free 0.242
9V6W Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor Deposited 2025-05-27 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 45–163（119 aa） Fragment：catalytic domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å R-free 0.242
9V92 Crystal structure of the Pin1 and Frag61 complex Deposited 2025-05-30 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 1–163（163 aa）
Not recorded QCF 3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400
Resolution 1.97 Å R-free 0.234

189 other PDB entries and 218 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name PIN1_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 2–20； UniProt 5–23

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 5b3y

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 5b3y
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2. Structure Basics 2. Structure Basics

Entry ID entry_id5b3y
Deposition date deposition_date2016-03-17
Structure title titleCrystal structure of hPin1 WW domain (5-23) fused with maltose-binding protein
Keywords keywordsIsomerase, SUGAR BINDING PROTEIN; ISOMERASE,SUGAR BINDING PROTEIN
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_guinier22.71 Å
Radius of gyration Rg (electron density) rg_electron21.56 Å
Forward intensity I(0) i028773200.00
Molecular weight molecular_weight42353.0 kDa
Excluded volume excluded_volume53481 ų
Envelope volume envelope_volume63639 ų
Hydration-shell volume shell_volume24404 ų
Envelope diameter envelope_diameter77.6 Å
Shell Rg shell_rg28.41 Å
Envelope Rg envelope_rg22.16 Å
Shape Rg shape_rg21.51 Å
Total Rg total_rg22.60 Å
Total atoms total_atoms2993
Residues n_residues382
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 dmax77.0 Å
Rg (real space) rg_real22.65 Å
Rg uncertainty (real space) rg_real_error0.50 Å
I(0) (real space) i0_real2.8770e+07
I(0) uncertainty (real space) i0_real_error3.8540e+05
Rg (reciprocal space) rg_reciprocal22.66 Å
I(0) (reciprocal space) i0_reciprocal28770000.0000
Solution quality estimate total_estimate0.8777
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary26.8 Å
Skewness Skewness skewness0.290
Kurtosis Kurtosis kurtosis-0.326
Angular range angular_range— – 0.3500 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha5941000.0000
Real-space data points n_real_points67
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.804; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.995
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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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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd5b3ya_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.94 — Periplasmic binding protein-like II
Superfamily Superfamily superfamilyc.94.1 — Periplasmic binding protein-like II
Family Family familyc.94.1.1 — Phosphate binding protein-like

CATH v4.4 (1 domains)

Domain ID domain_id5b3yA01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology190 — D-Maltodextrin-Binding Protein; domain 2
Homologous superfamily homologous superfamily10 — Periplasmic binding protein-like II
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8. Citations (1)

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9. Files and Curves (10)