Chimera protein of Type-2 angiotensin II receptor and Soluble cytochrome b562
Homo sapiens
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 Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain A； UniProt 23–128 Chain B； UniProt 23–128 | Fragment：UNP P0ABE7 residues 23-128 and UNP P50052 35-335 linked via LINKER resdiues GSGS Mutation：M1007W, H1102I, R1106L | 8ES N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide × 2 | X-RAY DIFFRACTION X-ray crystallization conditions：LIPIDIC CUBIC PHASE；pH 8；293 K；100 mM Tris-HCl, pH 8.0, 25 mM potassium formate, 25% (v/v) PEG400, and 0.3% (v/v) (+/-)-2-Methyl-2,4-pentanediol | Resolution 2.80 Å R-free 0.256 |
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 5UNF | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 10KT Crystal structure of A2A adenosine receptor A2AR-bRIL in complex with Compound50 Deposited 2026-01-25 | 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
23–127（105 aa）
|
Not recorded | NA SODIUM ION × 1 A1C5S (4%{S})-2-[(3%{R},6%{S})-1-(1-ethyl-1%{H}-pyrazol-4-yl)-6-methylpiperidin-3-yl]-7-methoxy[1,2,4]triazolo[1,5-%{c}]quinazolin-5-amine × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 17 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 PEG DI(HYDROXYETHYL)ETHER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；0.1 M sodium citrate buffer pH 5.0, 0.02-0.04 M Na thiocyanate, 27-30% PEG400, and 2% (v/v) 2, 5-Hexanediol
|
Resolution 2.59 Å R-free 0.243 |
| 11TD Structure of human CCR4 in apo state Deposited 2026-03-12 | 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 Heteromer；Protein × 3 PDB declaration: trimeric |
Chain R
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.70 Å |
| 11TF Structure of human CCR4 in complex with PRT193 Deposited 2026-03-12 | 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 Heteromer；Protein × 3 PDB declaration: trimeric |
Chain R
23–127（105 aa）
|
Not recorded | A1DAO (1R,3r)-3-{(3R)-3-[1-(5-chloro-4-{[(1R)-1-(2,4-dichlorophenyl)ethyl]amino}-6-methylpyrimidin-2-yl)azetidin-3-yl]piperidin-1-yl}-1-methylcyclobutane-1-carboxylic acid × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.40 Å |
| 11TH Structure of human CCR4 in complex with FLX475 Deposited 2026-03-12 | 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 Heteromer；Protein × 3 PDB declaration: trimeric |
Chain R
23–127（105 aa）
|
Not recorded | A1DAP 2-[(3R)-3-(1-{1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl}azetidin-3-yl)piperidin-1-yl]ethan-1-ol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.50 Å |
| 11TK Structure of human CCR4 in complex with AZD2098 Deposited 2026-03-12 | 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 Heteromer；Protein × 3 PDB declaration: trimeric |
Chain R
23–127（105 aa）
|
Not recorded | A1DAN 2,3-dichloro-N-(3-methoxypyrazin-2-yl)benzene-1-sulfonamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.54 Å |
| 11TL Structure of human CCR4 in complex with GSK2239633A Deposited 2026-03-12 | 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 Heteromer；Protein × 3 PDB declaration: trimeric |
Chain R
23–127（105 aa）
|
Not recorded | A1DAM N-[(3-{[3-(5-chlorothiophene-2-sulfonamido)-4-methoxy-1H-indazol-1-yl]methyl}phenyl)methyl]-2-hydroxy-2-methylpropanamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.90 Å |
| 1APC SOLUTION STRUCTURE OF APOCYTOCHROME B562 Deposited 1993-10-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR mmCIF provides none of the parsed conditions | Resolution not provided |
| 1LM3 A Multi-generation Analysis of Cytochrome b562 Redox Variants: Evolutionary Strategies for Modulating Redox Potential Revealed Using a Library Approach Deposited 2002-04-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：F61I, F65Y, R106L Mutation：F61I, F65Y, R106L | MG MAGNESIUM ION × 3 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；302 K；30% polyethylene glycol 4000, 0.1M MgCl2, 0.1M Tris HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 302K
|
Resolution 2.70 Å R-free 0.333 |
| 1M6T CRYSTAL STRUCTURE OF B562RIL, A REDESIGNED FOUR HELIX BUNDLE Deposited 2002-07-17 | 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
23–128（106 aa）
|
Mutation：M7W,H102I,R106L | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 9；298 K；3.2 M NH4(SO4), 2.44 mM N-octanoylsucrose, 0.1 M Bicine, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.81 Å R-free 0.248 |
| 1QPU SOLUTION STRUCTURE OF OXIDIZED ESCHERICHIA COLI CYTOCHROME B562 Deposited 1999-05-30 | 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
23–128（106 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 |
SOLUTION NMR
NMR measurement conditions
pH 4.8；298 K；Ionic strength (raw mmCIF value) 500 mM PHOSPHATE；Pressure AMBIENT
NMR measurement conditions
pH 4.8；298 K；Ionic strength (raw mmCIF value) 500 mM PHOSPHATE；Pressure AMBIENT
NMR measurement conditions
pH 4.8；298 K；Ionic strength (raw mmCIF value) 500 mM PHOSPHATE；Pressure AMBIENT
NMR sample composition
3 MM CYTOCHROME B562, 500 MM PHOSPHATE BUFFER, PH 4.8
NMR sample composition
3 MM CYTOCHROME B562 U-15N, 500 MM PHOSPHATE BUFFER, PH 4.8
NMR sample composition
3 MM CYTOCHROME B562, 500 MM PHOSPHATE BUFFER, PH 4.8
|
Resolution not provided |
| 1QQ3 THE SOLUTION STRUCTURE OF THE HEME BINDING VARIANT ARG98CYS OF OXIDIZED ESCHERICHIA COLI CYTOCHROME B562 Deposited 1999-06-10 | 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
23–128（106 aa）
|
Mutation：R98C | HEB HEME B/C × 1 |
SOLUTION NMR
NMR measurement conditions
pH 4.8；298 K；Ionic strength (raw mmCIF value) 500mM PHOSPHATE；Pressure AMBIENT
NMR measurement conditions
pH 4.8；298 K；Ionic strength (raw mmCIF value) 500mM PHOSPHATE；Pressure AMBIENT
NMR sample composition
3MM R98C CYTOCHROME B562; 500MM PHOSPHATE BUFFER; 90% H2O, 10% D2O
NMR sample composition
2.5MM R98C CYTOCHROME B562; 500MM PHOSPHATE BUFFER; 90% H2O, 10% D2O
|
Resolution not provided |
| 22EM Gi bound kappa-opioid receptor in complex with beta01 Deposited 2026-01-08 | 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 F
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.86 Å |
| 24XY P2Y13R-Gq complex bound to ADP Deposited 2026-03-24 | 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 × 6 PDB declaration: hexameric |
Chain R
23–128（106 aa）
|
Mutation：mutation | No recorded non-water small molecule | ELECTRON MICROSCOPY mmCIF provides none of the parsed conditions | Resolution 3.00 Å |
| 24XZ P2Y14R-Gi complex bound to UDP Deposited 2026-03-24 | 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 R
23–128（106 aa）
|
Mutation：mutation | No recorded non-water small molecule | ELECTRON MICROSCOPY mmCIF provides none of the parsed conditions | Resolution 2.93 Å |
| 256B IMPROVEMENT OF THE 2.5 ANGSTROMS RESOLUTION MODEL OF CYTOCHROME B562 BY REDETERMINING THE PRIMARY STRUCTURE AND USING MOLECULAR GRAPHICS Deposited 1990-01-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Not recorded | SO4 SULFATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.40 Å |
| 256B IMPROVEMENT OF THE 2.5 ANGSTROMS RESOLUTION MODEL OF CYTOCHROME B562 BY REDETERMINING THE PRIMARY STRUCTURE AND USING MOLECULAR GRAPHICS Deposited 1990-01-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
23–128（106 aa）
|
Not recorded | SO4 SULFATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.40 Å |
| 25IK Cryo-EM structure of MasR(FL)-Gq Deposited 2026-04-06 | 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 R
25–127（103 aa）
|
Mutation：M29W/H124I | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 25IL Cryo-EM structure of MasR(del2-25)-Gq Deposited 2026-04-06 | 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 R
25–127（103 aa）
|
Mutation：M29W,H124I | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å |
| 28VJ NorA bound to miniprotein I-23 Deposited 2026-02-21 | 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 × 2 PDB declaration: dimeric |
Chain B
22–128（107 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.79 Å |
| 2BC5 Crystal structure of E. coli cytochrome b562 with engineered c-type heme linkages Deposited 2005-10-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Mutation：K59W, R98C, Y101C | SO4 SULFATE ION × 1 HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；70% ammonium sulfate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.25 Å R-free 0.277 |
| 2BC5 Crystal structure of E. coli cytochrome b562 with engineered c-type heme linkages Deposited 2005-10-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 10 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：K59W, R98C, Y101C Mutation：K59W, R98C, Y101C | SO4 SULFATE ION × 4 HEC HEME C × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；70% ammonium sulfate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.25 Å R-free 0.277 |
| 2BC5 Crystal structure of E. coli cytochrome b562 with engineered c-type heme linkages Deposited 2005-10-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
23–128（106 aa）
|
Mutation：K59W, R98C, Y101C | SO4 SULFATE ION × 3 HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；70% ammonium sulfate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.25 Å R-free 0.277 |
| 2BC5 Crystal structure of E. coli cytochrome b562 with engineered c-type heme linkages Deposited 2005-10-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
23–128（106 aa）
|
Mutation：K59W, R98C, Y101C | SO4 SULFATE ION × 4 HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；70% ammonium sulfate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.25 Å R-free 0.277 |
| 2BC5 Crystal structure of E. coli cytochrome b562 with engineered c-type heme linkages Deposited 2005-10-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
23–128（106 aa）
|
Mutation：K59W, R98C, Y101C | SO4 SULFATE ION × 1 HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；70% ammonium sulfate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.25 Å R-free 0.277 |
| 2BC5 Crystal structure of E. coli cytochrome b562 with engineered c-type heme linkages Deposited 2005-10-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 5 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：K59W, R98C, Y101C Mutation：K59W, R98C, Y101C Mutation：K59W, R98C, Y101C Mutation：K59W, R98C, Y101C | SO4 SULFATE ION × 9 HEC HEME C × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；70% ammonium sulfate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.25 Å R-free 0.277 |
| 2BC5 Crystal structure of E. coli cytochrome b562 with engineered c-type heme linkages Deposited 2005-10-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 6 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：K59W, R98C, Y101C Mutation：K59W, R98C, Y101C Mutation：K59W, R98C, Y101C Mutation：K59W, R98C, Y101C | SO4 SULFATE ION × 9 HEC HEME C × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；70% ammonium sulfate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.25 Å R-free 0.277 |
| 2BC5 Crystal structure of E. coli cytochrome b562 with engineered c-type heme linkages Deposited 2005-10-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 7 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：K59W, R98C, Y101C Mutation：K59W, R98C, Y101C Mutation：K59W, R98C, Y101C Mutation：K59W, R98C, Y101C | SO4 SULFATE ION × 9 HEC HEME C × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；70% ammonium sulfate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.25 Å R-free 0.277 |
| 2BC5 Crystal structure of E. coli cytochrome b562 with engineered c-type heme linkages Deposited 2005-10-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 8 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：K59W, R98C, Y101C Mutation：K59W, R98C, Y101C Mutation：K59W, R98C, Y101C Mutation：K59W, R98C, Y101C | SO4 SULFATE ION × 9 HEC HEME C × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；70% ammonium sulfate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.25 Å R-free 0.277 |
| 2BC5 Crystal structure of E. coli cytochrome b562 with engineered c-type heme linkages Deposited 2005-10-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 9 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：K59W, R98C, Y101C Mutation：K59W, R98C, Y101C | SO4 SULFATE ION × 5 HEC HEME C × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；70% ammonium sulfate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.25 Å R-free 0.277 |
| 2QLA Crystal Structure of a 16-Helix Bundle Architecture Produced by the Zinc-Mediated Self Assembly of Four Cytochrome cb562 Molecules Deposited 2007-07-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：K59H, D73H, K77H, R98C, Y101C Mutation：K59H, D73H, K77H, R98C, Y101C Mutation：K59H, D73H, K77H, R98C, Y101C Mutation：K59H, D73H, K77H, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 4 ZN ZINC ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；100mM Tris, 1.25 mM ZnCl2, 25% PEG 3350, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.90 Å R-free 0.295 |
| 3C62 Tetrameric Cytochrome cb562 (H59/D62/H63/H73/A74/H77) Assembly Stabilized by Interprotein Zinc Coordination Deposited 2008-02-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：K59H, R62D, D73H, D74A, K77H, R98C, Y101C Mutation：K59H, R62D, D73H, D74A, K77H, R98C, Y101C Mutation：K59H, R62D, D73H, D74A, K77H, R98C, Y101C Mutation：K59H, R62D, D73H, D74A, K77H, R98C, Y101C | ZN ZINC ION × 4 CA CALCIUM ION × 5 HEM PROTOPORPHYRIN IX CONTAINING FE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；11% PEG 400, 100 mM CaCl2, 100 mM TRIS, 2 mM ZnCl2,
pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.87 Å R-free 0.273 |
| 3C63 Tetrameric Cytochrome cb562 (K34/H59/D62/H63/H73/A74/H77) Assembly Stabilized by Interprotein Zinc Coordination Deposited 2008-02-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：R34K, K59H, R62D, D73H, D74A, K77H, R98C, Y101C Mutation：R34K, K59H, R62D, D73H, D74A, K77H, R98C, Y101C Mutation：R34K, K59H, R62D, D73H, D74A, K77H, R98C, Y101C Mutation：R34K, K59H, R62D, D73H, D74A, K77H, R98C, Y101C | ZN ZINC ION × 4 CA CALCIUM ION × 5 HEM PROTOPORPHYRIN IX CONTAINING FE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；12% PEG 400, 200 mM CaCl2, 100 mM TRIS, 1.25 mM ZnCl2,
pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.75 Å R-free 0.247 |
| 3DE8 Crystal Structure of a Dimeric Cytochrome cb562 Assembly Induced by Copper Coordination Deposited 2008-06-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：K59H, D73H, K77H, R98C, Y101C Mutation：K59H, D73H, K77H, R98C, Y101C Mutation：K59H, D73H, K77H, R98C, Y101C Mutation：K59H, D73H, K77H, R98C, Y101C | CU COPPER (II) ION × 4 CA CALCIUM ION × 6 HEM PROTOPORPHYRIN IX CONTAINING FE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100 mM Hepes, 25% PEG 3350, 200 mM CaCl2, 17.8 mM CuSO4, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.72 Å R-free 0.244 |
| 3DE8 Crystal Structure of a Dimeric Cytochrome cb562 Assembly Induced by Copper Coordination Deposited 2008-06-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：K59H, D73H, K77H, R98C, Y101C Mutation：K59H, D73H, K77H, R98C, Y101C | CU COPPER (II) ION × 2 CA CALCIUM ION × 3 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100 mM Hepes, 25% PEG 3350, 200 mM CaCl2, 17.8 mM CuSO4, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.72 Å R-free 0.244 |
| 3DE8 Crystal Structure of a Dimeric Cytochrome cb562 Assembly Induced by Copper Coordination Deposited 2008-06-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：K59H, D73H, K77H, R98C, Y101C Mutation：K59H, D73H, K77H, R98C, Y101C | CU COPPER (II) ION × 2 CA CALCIUM ION × 3 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100 mM Hepes, 25% PEG 3350, 200 mM CaCl2, 17.8 mM CuSO4, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.72 Å R-free 0.244 |
| 3DE9 Crystal Structure of a Trimeric Cytochrome cb562 Assembly Induced by Nickel Coordination Deposited 2008-06-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
|
Mutation：K59H, D73H, K77H, R98C, Y101C | NI NICKEL (II) ION × 9 HEM PROTOPORPHYRIN IX CONTAINING FE × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；100 mM Tris, 23% PEG 4000, 4.16 mM NiSO4, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.04 Å R-free 0.278 |
| 3FOO A Triangular Cytochrome b562 Superstructure Mediated by Ni Coordination - Monoclinic Form Deposited 2008-12-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：K59C, R62A, H63A, K77H, R98C, Y101C Mutation：K59C, R62A, H63A, K77H, R98C, Y101C Mutation：K59C, R62A, H63A, K77H, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 3 PXX N-1,10-phenanthrolin-5-ylacetamide × 3 NI NICKEL (II) ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；25% PEG2000, 0.2 M NaCl, 0.1 M TRIS, 3.3 mM NiCl2, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.40 Å R-free 0.268 |
| 3FOO A Triangular Cytochrome b562 Superstructure Mediated by Ni Coordination - Monoclinic Form Deposited 2008-12-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
Chain F
23–128（106 aa）
|
Mutation：K59C, R62A, H63A, K77H, R98C, Y101C Mutation：K59C, R62A, H63A, K77H, R98C, Y101C Mutation：K59C, R62A, H63A, K77H, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 3 PXX N-1,10-phenanthrolin-5-ylacetamide × 3 NI NICKEL (II) ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；25% PEG2000, 0.2 M NaCl, 0.1 M TRIS, 3.3 mM NiCl2, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.40 Å R-free 0.268 |
| 3FOO A Triangular Cytochrome b562 Superstructure Mediated by Ni Coordination - Monoclinic Form Deposited 2008-12-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain G
23–128（106 aa）
Chain H
23–128（106 aa）
Chain I
23–128（106 aa）
|
Mutation：K59C, R62A, H63A, K77H, R98C, Y101C Mutation：K59C, R62A, H63A, K77H, R98C, Y101C Mutation：K59C, R62A, H63A, K77H, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 3 PXX N-1,10-phenanthrolin-5-ylacetamide × 3 NI NICKEL (II) ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；25% PEG2000, 0.2 M NaCl, 0.1 M TRIS, 3.3 mM NiCl2, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.40 Å R-free 0.268 |
| 3FOO A Triangular Cytochrome b562 Superstructure Mediated by Ni Coordination - Monoclinic Form Deposited 2008-12-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain J
23–128（106 aa）
Chain K
23–128（106 aa）
Chain L
23–128（106 aa）
|
Mutation：K59C, R62A, H63A, K77H, R98C, Y101C Mutation：K59C, R62A, H63A, K77H, R98C, Y101C Mutation：K59C, R62A, H63A, K77H, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 3 PXX N-1,10-phenanthrolin-5-ylacetamide × 3 NI NICKEL (II) ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；25% PEG2000, 0.2 M NaCl, 0.1 M TRIS, 3.3 mM NiCl2, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.40 Å R-free 0.268 |
| 3FOP A Triangular Cytochrome b562 Superstructure Mediated by Ni Coordination - Hexagonal Form Deposited 2008-12-30 | 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
23–128（106 aa）
|
Mutation：K59C, R62A, H63A, K77H, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 NI NICKEL (II) ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；25% PEG2000, 0.2 M MgCl2, 0.1 M TRIS, 3.3 mM NiCl2, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 3.00 Å R-free 0.277 |
| 3FOP A Triangular Cytochrome b562 Superstructure Mediated by Ni Coordination - Hexagonal Form Deposited 2008-12-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
23–128（106 aa）
|
Mutation：K59C, R62A, H63A, K77H, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 NI NICKEL (II) ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；25% PEG2000, 0.2 M MgCl2, 0.1 M TRIS, 3.3 mM NiCl2, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 3.00 Å R-free 0.277 |
| 3FOP A Triangular Cytochrome b562 Superstructure Mediated by Ni Coordination - Hexagonal Form Deposited 2008-12-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
|
Mutation：K59C, R62A, H63A, K77H, R98C, Y101C Mutation：K59C, R62A, H63A, K77H, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 3 PXX N-1,10-phenanthrolin-5-ylacetamide × 3 NI NICKEL (II) ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；25% PEG2000, 0.2 M MgCl2, 0.1 M TRIS, 3.3 mM NiCl2, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 3.00 Å R-free 0.277 |
| 3HNI Crystal structure of the Zn-induced tetramer of the engineered cyt cb562 variant RIDC-1 Deposited 2009-05-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：R34A, L38A, Q41W, K42S, D66W, V69I Mutation：R34A, L38A, Q41W, K42S, D66W, V69I Mutation：R34A, L38A, Q41W, K42S, D66W, V69I Mutation：R34A, L38A, Q41W, K42S, D66W, V69I | HEM PROTOPORPHYRIN IX CONTAINING FE × 4 ZN ZINC ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；100 mM HEPES, 30% Jeffamine ED-2001, 1.5 mM zinc chloride, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.35 Å R-free 0.278 |
| 3HNI Crystal structure of the Zn-induced tetramer of the engineered cyt cb562 variant RIDC-1 Deposited 2009-05-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain E
23–128（106 aa）
Chain F
23–128（106 aa）
Chain G
23–128（106 aa）
Chain H
23–128（106 aa）
|
Mutation：R34A, L38A, Q41W, K42S, D66W, V69I Mutation：R34A, L38A, Q41W, K42S, D66W, V69I Mutation：R34A, L38A, Q41W, K42S, D66W, V69I Mutation：R34A, L38A, Q41W, K42S, D66W, V69I | HEM PROTOPORPHYRIN IX CONTAINING FE × 4 ZN ZINC ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；100 mM HEPES, 30% Jeffamine ED-2001, 1.5 mM zinc chloride, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.35 Å R-free 0.278 |
| 3HNJ Crystal structure of the Zn-induced tetramer of the engineered cyt cb562 variant RIDC-2 Deposited 2009-05-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：R34A, L38A, Q41W, K42S, D66W, I67L, V69I, Q71A, A89K, Q93L, T96A, T97I Mutation：R34A, L38A, Q41W, K42S, D66W, I67L, V69I, Q71A, A89K, Q93L, T96A, T97I Mutation：R34A, L38A, Q41W, K42S, D66W, I67L, V69I, Q71A, A89K, Q93L, T96A, T97I Mutation：R34A, L38A, Q41W, K42S, D66W, I67L, V69I, Q71A, A89K, Q93L, T96A, T97I | HEM PROTOPORPHYRIN IX CONTAINING FE × 4 ZN ZINC ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；100 mM BIS-TRIS, 25% PEG 3350, 3.4 mM zinc chloride, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.00 Å R-free 0.272 |
| 3HNK Crystal structure of the dimeric assembly of the cyt cb562 variant RIDC-1 Deposited 2009-05-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
|
Mutation：R34A, L38A, Q41W, K42S, D66W, V69I Mutation：R34A, L38A, Q41W, K42S, D66W, V69I | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；26% PEG 2000, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.10 Å R-free 0.271 |
| 3HNK Crystal structure of the dimeric assembly of the cyt cb562 variant RIDC-1 Deposited 2009-05-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
23–128（106 aa）
|
Mutation：R34A, L38A, Q41W, K42S, D66W, V69I | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；26% PEG 2000, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.10 Å R-free 0.271 |
| 3HNK Crystal structure of the dimeric assembly of the cyt cb562 variant RIDC-1 Deposited 2009-05-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Mutation：R34A, L38A, Q41W, K42S, D66W, V69I | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；26% PEG 2000, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.10 Å R-free 0.271 |
| 3HNL Crystal structure of the Cu-induced dimer of the engineered cyt cb562 variant RIDC-1 Deposited 2009-05-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
|
Mutation：R34A, L38A, Q41W, K42S, D66W, V69I Mutation：R34A, L38A, Q41W, K42S, D66W, V69I | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 CU COPPER (II) ION × 2 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100 mM HEPES, 200 mM sodium chloride, 25% PEG 3350, 10.7 mM copper sulfate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.20 Å R-free 0.270 |
| 3HNL Crystal structure of the Cu-induced dimer of the engineered cyt cb562 variant RIDC-1 Deposited 2009-05-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
|
Mutation：R34A, L38A, Q41W, K42S, D66W, V69I Mutation：R34A, L38A, Q41W, K42S, D66W, V69I | HEM PROTOPORPHYRIN IX CONTAINING FE × 4 CU COPPER (II) ION × 4 CL CHLORIDE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100 mM HEPES, 200 mM sodium chloride, 25% PEG 3350, 10.7 mM copper sulfate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.20 Å R-free 0.270 |
| 3IQ5 Crystal structure of an engineered metal-free tetrameric cytochrome cb562 complex templated by Zn-coordination Deposited 2009-08-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；25% PEG 400, 0.1M Bis-Tris, 0.15M Sodium chloride, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.05 Å R-free 0.277 |
| 3IQ5 Crystal structure of an engineered metal-free tetrameric cytochrome cb562 complex templated by Zn-coordination Deposited 2009-08-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain B
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；25% PEG 400, 0.1M Bis-Tris, 0.15M Sodium chloride, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.05 Å R-free 0.277 |
| 3IQ6 Crystal structure of a tetrameric Zn-bound cytochrome cb562 complex with covalently and non-covalently stabilized interfaces Deposited 2009-08-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 4 ZN ZINC ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；20% PEG 2000, 0.1M HEPES, 0.15 M Sodium chloride, 1.15 mM Zinc chloride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.35 Å R-free 0.296 |
| 3IQ6 Crystal structure of a tetrameric Zn-bound cytochrome cb562 complex with covalently and non-covalently stabilized interfaces Deposited 2009-08-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain E
23–128（106 aa）
Chain F
23–128（106 aa）
Chain G
23–128（106 aa）
Chain H
23–128（106 aa）
|
Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 4 ZN ZINC ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；20% PEG 2000, 0.1M HEPES, 0.15 M Sodium chloride, 1.15 mM Zinc chloride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.35 Å R-free 0.296 |
| 3L1M Crystal Structure of a Ni-directed Dimer of Cytochrome cb562 with a Quinolate-Histidine Hybrid Coordination Motif Deposited 2009-12-13 | 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
23–128（106 aa）
Fragment：residues 23-128
|
Mutation：K59W, G70C, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 HQI N-(8-hydroxyquinolin-5-yl)acetamide × 2 NI NICKEL (II) ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；100 mM Tris, 25% PEG 1500, 1.05 mM nickel(II) sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.314 |
| 3L1M Crystal Structure of a Ni-directed Dimer of Cytochrome cb562 with a Quinolate-Histidine Hybrid Coordination Motif Deposited 2009-12-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
Fragment：residues 23-128
|
Mutation：K59W, G70C, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HQI N-(8-hydroxyquinolin-5-yl)acetamide × 1 NI NICKEL (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；100 mM Tris, 25% PEG 1500, 1.05 mM nickel(II) sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.314 |
| 3M15 A Zn-mediated asymmetric trimer of a cytochrome cb562 variant (D74A-RIDC1) Deposited 2010-03-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, D74A, K77H, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, D74A, K77H, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, D74A, K77H, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 3 ZN ZINC ION × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.60 Å R-free 0.313 |
| 3M4B A Zn-mediated tetrahedral protein lattice cage Deposited 2010-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, I67C, V69I, D73H, D74A, K77H, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, I67C, V69I, D73H, D74A, K77H, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, I67C, V69I, D73H, D74A, K77H, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, I67C, V69I, D73H, D74A, K77H, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 12 ACT ACETATE ION × 12 ZN ZINC ION × 36 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；25% PEG 1500, 0.1 M Bis-Tris, 0.2 M CaCl2 and 5 mM ZnCl2., pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.256 |
| 3M4C A Zn-mediated tetrahedral protein lattice cage encapsulating a microperoxidase Deposited 2010-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 15 PDB declaration: pentadecameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, I67C, V69I, D73H, D74A, K77H, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, I67C, V69I, D73H, D74A, K77H, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, I67C, V69I, D73H, D74A, K77H, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, I67C, V69I, D73H, D74A, K77H, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 15 ACT ACETATE ION × 12 ZN ZINC ION × 30 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；12% PEG 1900 MME , 0.1 M HEPES pH 7.5 , 0.2 M NaCl, 2 mM ZnCl2, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.90 Å R-free 0.223 |
| 3M79 A tetrameric Zn-bound cytochrome cb562 complex with covalently and non-covalently stabilized interfaces crystallized in the presence of Cu(II) and Zn(II) Deposited 2010-03-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 4 ZN ZINC ION × 4 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.10 Å R-free 0.271 |
| 3M79 A tetrameric Zn-bound cytochrome cb562 complex with covalently and non-covalently stabilized interfaces crystallized in the presence of Cu(II) and Zn(II) Deposited 2010-03-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain E
23–128（106 aa）
Chain F
23–128（106 aa）
Chain G
23–128（106 aa）
Chain H
23–128（106 aa）
|
Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 4 ZN ZINC ION × 4 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.10 Å R-free 0.271 |
| 3NMI Crystal structure of the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | 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
23–128（106 aa）
|
Mutation：W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；2.8 M sodium acetate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.01 Å R-free 0.235 |
| 3NMI Crystal structure of the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
23–128（106 aa）
|
Mutation：W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；2.8 M sodium acetate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.01 Å R-free 0.235 |
| 3NMI Crystal structure of the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | 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
23–128（106 aa）
|
Mutation：W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；2.8 M sodium acetate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.01 Å R-free 0.235 |
| 3NMI Crystal structure of the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | 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
23–128（106 aa）
|
Mutation：W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；2.8 M sodium acetate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.01 Å R-free 0.235 |
| 3NMI Crystal structure of the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
23–128（106 aa）
|
Mutation：W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；2.8 M sodium acetate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.01 Å R-free 0.235 |
| 3NMI Crystal structure of the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain F
23–128（106 aa）
|
Mutation：W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；2.8 M sodium acetate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.01 Å R-free 0.235 |
| 3NMJ Crystal structure of a nickel mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | 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
23–128（106 aa）
|
Mutation：W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；30% PEG 400, 0.1 M Tris, 0.2 ammonium sulfate, 6.2 mM nickel sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 3.10 Å R-free 0.238 |
| 3NMJ Crystal structure of a nickel mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
23–128（106 aa）
|
Mutation：W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 NI NICKEL (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；30% PEG 400, 0.1 M Tris, 0.2 ammonium sulfate, 6.2 mM nickel sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 3.10 Å R-free 0.238 |
| 3NMJ Crystal structure of a nickel mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | 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
23–128（106 aa）
|
Mutation：W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 NI NICKEL (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；30% PEG 400, 0.1 M Tris, 0.2 ammonium sulfate, 6.2 mM nickel sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 3.10 Å R-free 0.238 |
| 3NMJ Crystal structure of a nickel mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | 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
23–128（106 aa）
|
Mutation：W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；30% PEG 400, 0.1 M Tris, 0.2 ammonium sulfate, 6.2 mM nickel sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 3.10 Å R-free 0.238 |
| 3NMK Crystal structure of a zinc mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | 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
23–128（106 aa）
|
Mutation：W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, 0.2 M ammonium sulfate, 30% PEG 400, 12.4 mM zinc chloride, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.80 Å R-free 0.233 |
| 3NMK Crystal structure of a zinc mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
23–128（106 aa）
|
Mutation：W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, 0.2 M ammonium sulfate, 30% PEG 400, 12.4 mM zinc chloride, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.80 Å R-free 0.233 |
| 3NMK Crystal structure of a zinc mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | 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
23–128（106 aa）
|
Mutation：W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, 0.2 M ammonium sulfate, 30% PEG 400, 12.4 mM zinc chloride, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.80 Å R-free 0.233 |
| 3NMK Crystal structure of a zinc mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | 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
23–128（106 aa）
|
Mutation：W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, 0.2 M ammonium sulfate, 30% PEG 400, 12.4 mM zinc chloride, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.80 Å R-free 0.233 |
| 3TOL Crystal structure of an engineered cytochrome cb562 that forms 1D, Zn-mediated coordination polymers Deposited 2011-09-05 | 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
23–128（106 aa）
Fragment：Soluble cytochrome b562
Chain B
23–128（106 aa）
Fragment：Soluble cytochrome b562
|
Mutation：D73H, K77H, R98C, Y101C, K27E, D28K, T31E, R34L, L38A, Q41L, H59R, D66A, V69M, L76A Mutation：D73H, K77H, R98C, Y101C, K27E, D28K, T31E, R34L, L38A, Q41L, H59R, D66A, V69M, L76A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ZN ZINC ION × 2 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；20% PEG 3350, 2.1 mM ZnCl2, 20mM CaCl2 and 100 mM BISTRIS, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.245 |
| 3TOL Crystal structure of an engineered cytochrome cb562 that forms 1D, Zn-mediated coordination polymers Deposited 2011-09-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
23–128（106 aa）
Fragment：Soluble cytochrome b562
Chain D
23–128（106 aa）
Fragment：Soluble cytochrome b562
|
Mutation：D73H, K77H, R98C, Y101C, K27E, D28K, T31E, R34L, L38A, Q41L, H59R, D66A, V69M, L76A Mutation：D73H, K77H, R98C, Y101C, K27E, D28K, T31E, R34L, L38A, Q41L, H59R, D66A, V69M, L76A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ZN ZINC ION × 2 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；20% PEG 3350, 2.1 mM ZnCl2, 20mM CaCl2 and 100 mM BISTRIS, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.245 |
| 3TOM Crystal structure of an engineered cytochrome cb562 that forms 2D, Zn-mediated sheets Deposited 2011-09-05 | 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 C
23–128（106 aa）
Fragment：Soluble cytochrome b562
Chain D
23–128（106 aa）
Fragment：Soluble cytochrome b562
|
Mutation：D73H, K77H, R98C, Y101C, K27E, D28K, T31E, R34L, L38A, Q41L, H59R, D66A, V69M, L76A Mutation：D73H, K77H, R98C, Y101C, K27E, D28K, T31E, R34L, L38A, Q41L, H59R, D66A, V69M, L76A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ZN ZINC ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6；298 K；8 mM ZnCl2 and 200 mM BISTRIS, pH 6, VAPOR DIFFUSION, temperature 298K
|
Resolution 2.30 Å R-free 0.286 |
| 3TOM Crystal structure of an engineered cytochrome cb562 that forms 2D, Zn-mediated sheets Deposited 2011-09-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Fragment：Soluble cytochrome b562
Chain B
23–128（106 aa）
Fragment：Soluble cytochrome b562
|
Mutation：D73H, K77H, R98C, Y101C, K27E, D28K, T31E, R34L, L38A, Q41L, H59R, D66A, V69M, L76A Mutation：D73H, K77H, R98C, Y101C, K27E, D28K, T31E, R34L, L38A, Q41L, H59R, D66A, V69M, L76A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ZN ZINC ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6；298 K；8 mM ZnCl2 and 200 mM BISTRIS, pH 6, VAPOR DIFFUSION, temperature 298K
|
Resolution 2.30 Å R-free 0.286 |
| 3TOM Crystal structure of an engineered cytochrome cb562 that forms 2D, Zn-mediated sheets Deposited 2011-09-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Fragment：Soluble cytochrome b562
Chain B
23–128（106 aa）
Fragment：Soluble cytochrome b562
Chain C
23–128（106 aa）
Fragment：Soluble cytochrome b562
Chain D
23–128（106 aa）
Fragment：Soluble cytochrome b562
|
Mutation：D73H, K77H, R98C, Y101C, K27E, D28K, T31E, R34L, L38A, Q41L, H59R, D66A, V69M, L76A Mutation：D73H, K77H, R98C, Y101C, K27E, D28K, T31E, R34L, L38A, Q41L, H59R, D66A, V69M, L76A Mutation：D73H, K77H, R98C, Y101C, K27E, D28K, T31E, R34L, L38A, Q41L, H59R, D66A, V69M, L76A Mutation：D73H, K77H, R98C, Y101C, K27E, D28K, T31E, R34L, L38A, Q41L, H59R, D66A, V69M, L76A | HEM PROTOPORPHYRIN IX CONTAINING FE × 4 ZN ZINC ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6；298 K；8 mM ZnCl2 and 200 mM BISTRIS, pH 6, VAPOR DIFFUSION, temperature 298K
|
Resolution 2.30 Å R-free 0.286 |
| 3U8P Cytochrome b562 integral fusion with EGFP Deposited 2011-10-17 | 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
23–128（106 aa）
|
Mutation：F64L Non-standard monomer：Yes (specific site not provided by mmCIF) | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.4；0.1 M MES/NAOH, PH 6.4, 200 MM magnesium acetate and 20% (W/V) PEG 8000; for cryoprotection 16% glycerol was added to the reservoir buffer, VAPOR DIFFUSION
|
Resolution 2.75 Å R-free 0.242 |
| 3U8P Cytochrome b562 integral fusion with EGFP Deposited 2011-10-17 | 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
23–128（106 aa）
|
Mutation：F64L Non-standard monomer：Yes (specific site not provided by mmCIF) | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.4；0.1 M MES/NAOH, PH 6.4, 200 MM magnesium acetate and 20% (W/V) PEG 8000; for cryoprotection 16% glycerol was added to the reservoir buffer, VAPOR DIFFUSION
|
Resolution 2.75 Å R-free 0.242 |
| 3U8P Cytochrome b562 integral fusion with EGFP Deposited 2011-10-17 | 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
23–128（106 aa）
|
Mutation：F64L Non-standard monomer：Yes (specific site not provided by mmCIF) | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.4；0.1 M MES/NAOH, PH 6.4, 200 MM magnesium acetate and 20% (W/V) PEG 8000; for cryoprotection 16% glycerol was added to the reservoir buffer, VAPOR DIFFUSION
|
Resolution 2.75 Å R-free 0.242 |
| 4EA3 Structure of the N/OFQ Opioid Receptor in Complex with a Peptide Mimetic Deposited 2012-03-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
|
Mutation：M29W, H124I, K128L Mutation：M29W, H124I, K128L | 0NN 1-benzyl-N-[3-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-D-prolinamide × 2 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 OLA OLEIC ACID × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipidic Cubic Phase (LCP)；pH 6.4；293 K；25-30% (v/v) PEG 400,
100 to 200 mM potassium sodium tartrate tetrahydrate,
100 mM BIS-TRIS propane pH 6.4 , Lipidic Cubic Phase (LCP), temperature 293K
|
Resolution 3.01 Å R-free 0.288 |
| 4EA3 Structure of the N/OFQ Opioid Receptor in Complex with a Peptide Mimetic Deposited 2012-03-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
|
Mutation：M29W, H124I, K128L Mutation：M29W, H124I, K128L | 0NN 1-benzyl-N-[3-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-D-prolinamide × 2 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 OLA OLEIC ACID × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipidic Cubic Phase (LCP)；pH 6.4；293 K；25-30% (v/v) PEG 400,
100 to 200 mM potassium sodium tartrate tetrahydrate,
100 mM BIS-TRIS propane pH 6.4 , Lipidic Cubic Phase (LCP), temperature 293K
|
Resolution 3.01 Å R-free 0.288 |
| 4EA3 Structure of the N/OFQ Opioid Receptor in Complex with a Peptide Mimetic Deposited 2012-03-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
|
Mutation：M29W, H124I, K128L Mutation：M29W, H124I, K128L | 0NN 1-benzyl-N-[3-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-D-prolinamide × 2 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 OLA OLEIC ACID × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipidic Cubic Phase (LCP)；pH 6.4；293 K；25-30% (v/v) PEG 400,
100 to 200 mM potassium sodium tartrate tetrahydrate,
100 mM BIS-TRIS propane pH 6.4 , Lipidic Cubic Phase (LCP), temperature 293K
|
Resolution 3.01 Å R-free 0.288 |
| 4EIY Crystal structure of the chimeric protein of A2aAR-BRIL in complex with ZM241385 at 1.8A resolution Deposited 2012-04-06 | 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
23–128（106 aa）
|
Mutation：M215W, H310I, R314L | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 16 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 PEG DI(HYDROXYETHYL)ETHER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；293 K；25-28% (v/v) PEG 400, 0.04-0.06M sodium thiocyanate, 2% (v/v) 2,5-hexanediol, 100mM sodium citrate, pH 5.0, Lipid Cubic Phase (LCP), temperature 293K
|
Resolution 1.80 Å R-free 0.213 |
| 4IAQ Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with dihydroergotamine (PSI Community Target) Deposited 2012-12-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
|
Mutation：L138W, M29W, H124I, R128L | 2GM Dihydroergotamine × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipid Cubic Phase (LCP)；pH 8.7；293 K；100 mM Tris pH 8.7, 32-36% (v/v) PEG400, 90 mM sodium citrate tribasic dihydrate, 120 mM ammonium sulfate
, Lipid Cubic Phase (LCP), temperature 293K
|
Resolution 2.80 Å R-free 0.257 |
| 4IAR Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target) Deposited 2012-12-07 | 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
23–128（106 aa）
|
Mutation：L138W, M29W, H124I, R128L | ERM Ergotamine × 1 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipid Cubic Phase (LCP)；pH 7.5；293 K；100 mM Tris pH 7.5, 30% (v/v) PEG400, 400 mM lithium chloride
, Lipid Cubic Phase (LCP), temperature 293K
|
Resolution 2.70 Å R-free 0.261 |
| 4IB4 Crystal structure of the chimeric protein of 5-HT2B-BRIL in complex with ergotamine Deposited 2012-12-07 | 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
23–128（106 aa）
|
Mutation：M144W, M29W, H124I, R128L | ERM Ergotamine × 1 PLM PALMITIC ACID × 1 CLR CHOLESTEROL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 OLA OLEIC ACID × 2 PEG DI(HYDROXYETHYL)ETHER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipid Cubic Phase (LCP)；pH 8；293 K；100 mM Tris/HCl pH 8.0, 100 mM magnesium sulfate and 30% (v/v) PEG400, Lipid Cubic Phase (LCP) , temperature 293K
|
Resolution 2.70 Å R-free 0.266 |
| 4JE9 Crystal structure of an engineered metal-free RIDC1 construct with four interfacial disulfide bonds Deposited 2013-02-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Fragment：UNP residues 23-128
Chain B
23–128（106 aa）
Fragment：UNP residues 23-128
|
Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, E81C, T96C, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, E81C, T96C, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；293 K；30% methyl-pentanediol, 0.1M Tris pH 8.5, 0.2M sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.12 Å R-free 0.302 |
| 4JEA Crystal structure of an engineered Zn-RIDC1 construct with four interfacial disulfide bonds Deposited 2013-02-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Fragment：UNP residues 23-128
Chain B
23–128（106 aa）
Fragment：UNP residues 23-128
Chain C
23–128（106 aa）
Fragment：UNP residues 23-128
Chain D
23–128（106 aa）
Fragment：UNP residues 23-128
|
Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, E81C, T96C, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, E81C, T96C, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, E81C, T96C, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, E81C, T96C, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 4 ZN ZINC ION × 4 SO4 SULFATE ION × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；293 K；35% methyl-pentanediol, 0.1M Tris pH 8.5, 0.2M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.22 Å R-free 0.179 |
| 4JEB Crystal structure of an engineered RIDC1 tetramer with four interfacial disulfide bonds and four three-coordinate Zn(II) sites Deposited 2013-02-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Fragment：UNP residues 23-128
Chain B
23–128（106 aa）
Fragment：UNP residues 23-128
|
Mutation：R34A, L38A, Q41W, K42S, K59A, D66W, V69I, D73H, D74A, K77H, E81C, T96C, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59A, D66W, V69I, D73H, D74A, K77H, E81C, T96C, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 4 ZN ZINC ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；35% methyl-pentandiol, 0.1M HEPES pH 7.5, 0.2M NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.309 |
| 4JKV Structure of the human smoothened 7TM receptor in complex with an antitumor agent Deposited 2013-03-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–127（105 aa）
Fragment：BRIL
Chain B
23–127（105 aa）
Fragment：BRIL
|
Mutation：M7W, H101I, R107L Mutation：M7W, H101I, R107L | 1KS 4-fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 5 OLA OLEIC ACID × 3 PEG DI(HYDROXYETHYL)ETHER × 2 PGE TRIETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipidic Cubic Phase (LCP)；pH 7.8；293 K；100 mM HEPES, pH 7.8, 70 mM ammonium fluoride, 32% (v/v) PEG400, 4% 8% (v/v) P400, Lipidic Cubic Phase (LCP), temperature 293K
|
Resolution 2.45 Å R-free 0.231 |
| 4L6R Structure of the class B human glucagon G protein coupled receptor Deposited 2013-06-12 | 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
23–128（106 aa）
Fragment：UNP residues 23-128 and 123-434
|
Mutation：M7W, H102I, R106L | PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；293 K；100 mM MES pH 6.0, 140-200 mM NaK tartrate tetrahydrate, 9-17% (v/v) PEG 400, 0.35-0.55% (v/v) Jeffamine M-600 pH 7.0, 200 uM NNC0640, Lipidic Cubic Phase (LCP), temperature 293K
|
Resolution 3.30 Å R-free 0.339 |
| 4N6H 1.8 A Structure of the human delta opioid 7TM receptor (PSI Community Target) Deposited 2013-10-12 | 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
23–128（106 aa）
Fragment：UNP P0ABE7 residues 23-128, UNP P41143 residues 36-338
|
Mutation：M1007W, H1102I, R1106L, P37S | OLA OLEIC ACID × 12 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 5 PGE TRIETHYLENE GLYCOL × 3 TLA L(+)-TARTARIC ACID × 1 EJ4 (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LCP；293 K；31-34% (v/v) PEG 400, 0.095 to 0.12 M K/Na tartrate, 5% (v/v) ethylene glycol, 100 mM MES buffer at pH 6.1-6.2, LCP, temperature 293K
|
Resolution 1.80 Å R-free 0.190 |
| 4NC3 Crystal structure of the 5-HT2B receptor solved using serial femtosecond crystallography in lipidic cubic phase. Deposited 2013-10-23 | 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
23–128（106 aa）
Fragment：BRIL
|
Mutation：M7W | PLM PALMITIC ACID × 1 ERM Ergotamine × 1 CLR CHOLESTEROL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 PEG DI(HYDROXYETHYL)ETHER × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 OLA OLEIC ACID × 3 DGA DIACYL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipidic Cubic Phase (LCP)；pH 8；293 K；100mM Tris/HCl pH8.0, 20-80mM MgCl2 and 30% (v/v) PEG400 , Lipidic Cubic Phase (LCP), temperature 293K
|
Resolution 2.80 Å R-free 0.270 |
| 4NTJ Structure of the human P2Y12 receptor in complex with an antithrombotic drug Deposited 2013-12-02 | 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
23–128（106 aa）
|
Mutation：D294N, M1007W, H1102I, R1106L | AZJ ethyl 6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyano-2-methylpyridine-3-carboxylate × 1 CLR CHOLESTEROL × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.05-0.15M ammonium formate, 0.1M sodium cacodylate, pH 6.0-6.5, 25-35% PEG 400, 200M AZD1283, Lipidic Cubic Phase, temperature 293K
|
Resolution 2.62 Å R-free 0.246 |
| 4O9R Human Smoothened Receptor structure in complex with cyclopamine Deposited 2014-01-02 | 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
23–128（106 aa）
Fragment：UNP Q99835 residues 190-433, P0ABE7 residues 23-128, Q99835 residues 441-555
|
Mutation：M1007W, H1102I, R1106L | CY8 Cyclopamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipidic Cubic Phase (LCP)；pH 7；293 K；100 mM Hepes, 30 % (v/v) PEG 400, 100 mM NaCl , pH 7.0, Lipidic Cubic Phase (LCP), temperature 293K
|
Resolution 3.20 Å R-free 0.278 |
| 4OR2 Human class C G protein-coupled metabotropic glutamate receptor 1 in complex with a negative allosteric modulator Deposited 2014-02-10 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
|
Mutation：M7W, H102I, R106L Mutation：M7W, H102I, R106L | FM9 4-fluoro-N-methyl-N-{4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl}benzamide × 2 CLR CHOLESTEROL × 6 OLA OLEIC ACID × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 PO4 PHOSPHATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipidic Cubic Phase (LCP)；pH 7；293 K；100mM HEPES (pH 7.0), 27-30% (v/v) PEG 400, 80-120mM (NH4)2HPO4, 4-8mM TCEP, Lipidic Cubic Phase (LCP), temperature 293K
|
Resolution 2.80 Å R-free 0.268 |
| 4PXZ Crystal structure of P2Y12 receptor in complex with 2MeSADP Deposited 2014-03-25 | 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
23–128（106 aa）
|
Mutation：M1007W/H1102I/R1106L/D294N | 6AD 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate) × 1 CLR CHOLESTEROL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipidic cubic phase (LCP)；pH 5；293 K；30-40% PEG 400, 0.30-0.45M ammonium acetate, citrate, 3% v/v 1-Propanol, 0.1 M sodium citrate, pH 5.0, Lipidic cubic phase (LCP), temperature 293.0K
|
Resolution 2.50 Å R-free 0.230 |
| 4PY0 Crystal structure of P2Y12 receptor in complex with 2MeSATP Deposited 2014-03-25 | 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
23–128（106 aa）
|
Mutation：D294N, M1007W, H1102I, R1106L | 6AT 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate) × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipidic cubic phase (LCP)；pH 6；293 K；35-40% PEG 400, 0.15-0.20M ammonium tartrate, 4% v/v MPD, 0.1M sodium citrate, pH 6.0, Lipidic cubic phase (LCP), temperature 293.0K
|
Resolution 3.10 Å R-free 0.265 |
| 4QIM Structure of the human smoothened receptor in complex with ANTA XV Deposited 2014-05-31 | 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
23–128（106 aa）
Fragment：UNP Q99835 residues 190-433, P0ABE7 residues 23-128, Q99835 residues 441-555
|
Mutation：M1007W, H1102I, R1106L | A8T 2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipidic Cubic Phase (LCP)；pH 7.2；293 K；100-115mM NH4Cl, 100mM HEPES pH7.2, 36% PEG400, Lipidic Cubic Phase (LCP), temperature 293K
|
Resolution 2.61 Å R-free 0.263 |
| 4QIN Structure of the human smoothened receptor in complex with SAG1.5 Deposited 2014-05-31 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Fragment：UNP Q99835 residues 190-433, P0ABE7 residues 23-128, Q99835 residues 441-555
|
Mutation：M1007W, H1102I, R1106L | SG8 3-chloro-4,7-difluoro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipidic Cubic Phase (LCP)；pH 6；293 K；100mM MgSO4, 100mM MES pH6.0, 30% PEG400, 2-3% Polypropylene glycol P 400, Lipidic Cubic Phase (LCP), temperature 293K
|
Resolution 2.60 Å R-free 0.260 |
| 4RWA Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target) Deposited 2014-12-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
|
Mutation：M29W, H124I, R138L,M29W, H124I, R138L | OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6；293 K；25-28% (v/v) PEG 400, 0.12 to 0.2 M NaCl, 100 mM MES buffer at pH 6.0, 1 mM DIPP-NH2 and 5% (v/v) of either one of the following additives: 30% glycerol, 1.0 M glycine or 0.01M L-glutathione reduced/0.01M L-glutathione oxidized, Lipidic cubic phase, temperature 293K
|
Resolution 3.28 Å R-free 0.273 |
| 4RWA Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target) Deposited 2014-12-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
23–128（106 aa）
|
Mutation：M29W, H124I, R138L,M29W, H124I, R138L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6；293 K；25-28% (v/v) PEG 400, 0.12 to 0.2 M NaCl, 100 mM MES buffer at pH 6.0, 1 mM DIPP-NH2 and 5% (v/v) of either one of the following additives: 30% glycerol, 1.0 M glycine or 0.01M L-glutathione reduced/0.01M L-glutathione oxidized, Lipidic cubic phase, temperature 293K
|
Resolution 3.28 Å R-free 0.273 |
| 4RWD XFEL structure of the human delta opioid receptor in complex with a bifunctional peptide Deposited 2014-12-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
|
Mutation：M29W, H124I, R138L,M29W, H124I, R138L | OLA OLEIC ACID × 3 NA SODIUM ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6；293 K；0.1M MES pH 6.0, 10-180mM Lithium citrate, 30-32% (v/v) PEG400, Lipidic cubic phase, temperature 293K
|
Resolution 2.70 Å R-free 0.238 |
| 4RWD XFEL structure of the human delta opioid receptor in complex with a bifunctional peptide Deposited 2014-12-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
23–128（106 aa）
|
Mutation：M29W, H124I, R138L,M29W, H124I, R138L | OLA OLEIC ACID × 4 NA SODIUM ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6；293 K；0.1M MES pH 6.0, 10-180mM Lithium citrate, 30-32% (v/v) PEG400, Lipidic cubic phase, temperature 293K
|
Resolution 2.70 Å R-free 0.238 |
| 4U9D Crystal Structure of the Zn-directed tetramer of the engineered cyt cb562 variant, AB3 Deposited 2014-08-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Fragment：UNP residues 23-128
Chain B
23–128（106 aa）
Fragment：UNP residues 23-128
Chain C
23–128（106 aa）
Fragment：UNP residues 23-128
Chain D
23–128（106 aa）
Fragment：UNP residues 23-128
|
Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, A89H, T96C, R98C, A100H, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, A89H, T96C, R98C, A100H, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, A89H, T96C, R98C, A100H, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, A89H, T96C, R98C, A100H, Y101C | HEC HEME C × 4 ZN ZINC ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；18% PEG 400 in 20 mM Tris (pH 8.5) and 0.2 M MgCl2
|
Resolution 2.50 Å R-free 0.296 |
| 4U9E Crystal structure of the Zn-directed tetramer of the engineered cyt cb562 variant, A104/57G AB3 Deposited 2014-08-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Fragment：UNP residues 23-128
|
Mutation：R34A, L38A, Q41W, K42S, E57G, K59H, D66W, V69I, D73H, K77H, A89H, T96C, R98C, A100H, Y101C, K104A, | HEC HEME C × 4 CA CALCIUM ION × 20 ZN ZINC ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；27% (+/-)-2-methyl-2,4-pentanediol 400 in 100 mM Bis-Tris (pH 6.5) with 0.2M CaCl2 and 20 mM ampicillin
|
Resolution 2.80 Å R-free 0.285 |
| 4YAY XFEL structure of human Angiotensin Receptor Deposited 2015-02-18 | 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
23–128（106 aa）
|
Mutation：M1007W, H1102I, R1106L | ZD7 5,7-diethyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；294 K；100 mM sodium citrate, pH 5.0, 450 mM NH4H2PO4, 28% (v/v) PEG400 and 4% (v/v) DMSO
|
Resolution 2.90 Å R-free 0.274 |
| 4Z34 Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO9780307 Deposited 2015-03-30 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–64（42 aa）
Fragment：unp residues 2-232; unp residues 23-64; unp residues 73-127; unp residues 248-326
Chain A
73–127（55 aa）
Fragment：unp residues 2-232; unp residues 23-64; unp residues 73-127; unp residues 248-326
|
Mutation：M1007W, H1102I, R1106L Mutation：M1007W, H1102I, R1106L | ON7 {1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1 H-pyrrol-3-yl}acetic acid × 1 1WV (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1 M sodium citrate (pH 5.5),
34 - 38% (v/v) PEG400 and
200 mM ammonium acetate
|
Resolution 3.00 Å R-free 0.281 |
| 4Z35 Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO-9910539 Deposited 2015-03-30 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–64（42 aa）
Chain A
73–127（55 aa）
|
Mutation：M1007W, H1102I, R1106L Mutation：M1007W, H1102I, R1106L | ON9 3-{1-[(2S,3S)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}propanoic acid × 1 1WV (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1 M sodium citrate
(pH 5.5), 34 - 38% (v/v) PEG400 and 200 mM ammonium acetate
|
Resolution 2.90 Å R-free 0.279 |
| 4Z36 Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO-3080573 Deposited 2015-03-30 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–64（42 aa）
Fragment：unp residues 2-232; unp residues 23-64; unp residues 78-127; unp residues 249-327
Chain A
78–127（50 aa）
Fragment：unp residues 2-232; unp residues 23-64; unp residues 78-127; unp residues 249-327
|
Mutation：M1007W, H1102I, R1106L Mutation：M1007W, H1102I, R1106L | ON3 1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropan ecarboxylic acid × 1 1WV (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1 M sodium citrate
(pH 5.5), 34 - 38% (v/v) PEG400 and 200 mM ammonium acetate
|
Resolution 2.90 Å R-free 0.292 |
| 4ZUD Crystal Structure of Human Angiotensin Receptor in Complex with Inverse Agonist Olmesartan at 2.8A resolution. Deposited 2015-05-15 | 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
23–128（106 aa）
|
Mutation：M1007W, H1102I, R1106L | OLM Olmesartan × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；100 mM sodium citrate, pH 5.0, 400 mM KH2PO4, 25% (v/v) PEG400, and 6% (v/v) DMSO
|
Resolution 2.80 Å R-free 0.234 |
| 5AWI Domain-swapped cytochrome cb562 dimer Deposited 2015-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Fragment：UNP residues 23-128
Chain B
23–128（106 aa）
Fragment：UNP residues 23-128
|
Mutation：R98C, Y101C Mutation：R98C, Y101C | HEC HEME C × 2 ZN ZINC ION × 7 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；25% PEG MME 350, 6 mM ZnSO4, 750 mM MES buffer
|
Resolution 1.85 Å R-free 0.205 |
| 5BU7 Crystal structure of an engineered protein that forms nanotubes with tunable diameters Deposited 2015-06-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
|
Mutation：T96C, D73H, K77H, R98C, Y101C, K27E, D28K, T31E, R34L, L38A, Q41L, H59R, D66A, V69M, L76A Mutation：T96C, D73H, K77H, R98C, Y101C, K27E, D28K, T31E, R34L, L38A, Q41L, H59R, D66A, V69M, L76A | HEM PROTOPORPHYRIN IX CONTAINING FE × 4 ZN ZINC ION × 14 |
X-RAY DIFFRACTION
X-ray crystallization conditions
BATCH MODE；pH 7.5；298 K；50-fold excess of zinc chloride
|
Resolution 2.46 Å R-free 0.292 |
| 5DHG The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with C-35 (PSI Community Target) Deposited 2015-08-30 | 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
23–128（106 aa）
|
Mutation：M1007W, H1102I, R1106L | DGV 1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide × 1 OLA OLEIC ACID × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7.5；293 K；25-35% (V/V) PEG400, 130-200 MM POTASSIM SODIUM TARTRATE TETRAHYDRATE, 100 MM BIS-TRIS PROPANE, PH 6.4, LIPIDIC CUBIC PHASE, TEMPERATURE 293K
|
Resolution 3.00 Å R-free 0.275 |
| 5DHG The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with C-35 (PSI Community Target) Deposited 2015-08-30 | 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
23–128（106 aa）
|
Mutation：M1007W, H1102I, R1106L | DGV 1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide × 1 OLA OLEIC ACID × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7.5；293 K；25-35% (V/V) PEG400, 130-200 MM POTASSIM SODIUM TARTRATE TETRAHYDRATE, 100 MM BIS-TRIS PROPANE, PH 6.4, LIPIDIC CUBIC PHASE, TEMPERATURE 293K
|
Resolution 3.00 Å R-free 0.275 |
| 5DHG The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with C-35 (PSI Community Target) Deposited 2015-08-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
|
Mutation：M1007W, H1102I, R1106L Mutation：M1007W, H1102I, R1106L | DGV 1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide × 2 OLA OLEIC ACID × 5 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7.5；293 K；25-35% (V/V) PEG400, 130-200 MM POTASSIM SODIUM TARTRATE TETRAHYDRATE, 100 MM BIS-TRIS PROPANE, PH 6.4, LIPIDIC CUBIC PHASE, TEMPERATURE 293K
|
Resolution 3.00 Å R-free 0.275 |
| 5DHH The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with SB-612111 (PSI Community Target) Deposited 2015-08-31 | 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
23–128（106 aa）
|
Mutation：M1007W, H1102I, R1106L | OLA OLEIC ACID × 5 DGW (5S,7S)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6.4；293 K；25-35% (V/V) PEG400, 130-200 MM POTASSIM SODIUM TARTRATE TETRAHYDRATE, 100 MM BIS-TRIS PROPANE, PH 6.4, LIPIDIC CUBIC PHASE, TEMPERATURE 293K
|
Resolution 3.00 Å R-free 0.279 |
| 5DHH The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with SB-612111 (PSI Community Target) Deposited 2015-08-31 | 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
23–128（106 aa）
|
Mutation：M1007W, H1102I, R1106L | OLA OLEIC ACID × 2 DGW (5S,7S)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6.4；293 K；25-35% (V/V) PEG400, 130-200 MM POTASSIM SODIUM TARTRATE TETRAHYDRATE, 100 MM BIS-TRIS PROPANE, PH 6.4, LIPIDIC CUBIC PHASE, TEMPERATURE 293K
|
Resolution 3.00 Å R-free 0.279 |
| 5DHH The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with SB-612111 (PSI Community Target) Deposited 2015-08-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
|
Mutation：M1007W, H1102I, R1106L Mutation：M1007W, H1102I, R1106L | OLA OLEIC ACID × 7 DGW (5S,7S)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6.4；293 K；25-35% (V/V) PEG400, 130-200 MM POTASSIM SODIUM TARTRATE TETRAHYDRATE, 100 MM BIS-TRIS PROPANE, PH 6.4, LIPIDIC CUBIC PHASE, TEMPERATURE 293K
|
Resolution 3.00 Å R-free 0.279 |
| 5IU4 Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with ZM241385 at 1.7A resolution Deposited 2016-03-17 | 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
23–128（106 aa）
|
Mutation：;A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A ; | NA SODIUM ION × 1 ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 20 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES pH 5.5, 0.2M K/Na tartrate, 27.5-40% PEG400, 0.5-1% (v/v) (+/-)-2-methyl-2,4-pentanediol
|
Resolution 1.72 Å R-free 0.200 |
| 5IU7 Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12c at 1.9A resolution Deposited 2016-03-17 | 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
23–128（106 aa）
|
Mutation：;A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A ; | NA SODIUM ION × 1 6DY 2-(furan-2-yl)-N~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 18 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.lM tri-sodium citrate pH 5.3-5.4, 0.05M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol
|
Resolution 1.90 Å R-free 0.198 |
| 5IU8 Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12f at 2.0A resolution Deposited 2016-03-17 | 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
23–128（106 aa）
|
Mutation：;A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A ; | NA SODIUM ION × 1 6DZ 2-(furan-2-yl)-N~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine × 1 HTO HEPTANE-1,2,3-TRIOL × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 19 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES pH 5.5, 0.2M K/Na tartrate, 33.5% PEG400, 0.5% (v/v) 1,2,3-heptanetriol
|
Resolution 2.00 Å R-free 0.200 |
| 5IUA Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12b at 2.2A resolution Deposited 2016-03-17 | 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
23–128（106 aa）
|
Mutation：;A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A ; | NA SODIUM ION × 1 6DX 2-(furan-2-yl)-N~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 17 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.lM tri-sodium citrate pH 5.3-5.4, 0.05M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol
|
Resolution 2.20 Å R-free 0.233 |
| 5IUB Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12x at 2.1A resolution Deposited 2016-03-17 | 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
23–128（106 aa）
|
Mutation：;A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A ; | NA SODIUM ION × 1 6DV N~5~-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2-(furan-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 16 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES pH 5.5, 0.2M K/Na tartrate, 27.5-40% PEG400, 0.5-1% (v/v) (+/-)-2-methyl-2,4-pentanediol
|
Resolution 2.10 Å R-free 0.218 |
| 5JTB Crystal structure of the chimeric protein of A2aAR-BRIL with bound iodide ions 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–127（105 aa）
Fragment：;UNP Residues 2-208,UNP Residues 23-217,UNP Residues 219-316,UNP Residues 2-208,UNP Residues 23-217,UNP Residues 219-316,UNP Residues 2-208,UNP Residues 23-217,UNP Residues 219-316
;
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 3 IOD IODIDE ION × 6 PEG DI(HYDROXYETHYL)ETHER × 2 OLA OLEIC ACID × 4 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；in meso lipidic cubic phase crystallization
|
Resolution 2.80 Å R-free 0.294 |
| 5K2A 2.5 angstrom A2a adenosine receptor structure with sulfur SAD phasing using XFEL data Deposited 2016-05-18 | 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
23–128（106 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 10 OLA OLEIC ACID × 10 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；28 % (v/v) PEG 400, 40 mM sodium thiocyanate and 100 mM sodium citrate buffer pH 5.0
|
Resolution 2.50 Å R-free 0.228 |
| 5K2B 2.5 angstrom A2a adenosine receptor structure with MR phasing using XFEL data Deposited 2016-05-18 | 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
23–128（106 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 9 OLA OLEIC ACID × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；28 % (v/v) PEG 400, 40 mM sodium thiocyanate and 100 mM sodium citrate buffer pH 5.0
|
Resolution 2.50 Å R-free 0.219 |
| 5K2C 1.9 angstrom A2a adenosine receptor structure with sulfur SAD phasing and phase extension using XFEL data Deposited 2016-05-18 | 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
23–128（106 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 10 OLA OLEIC ACID × 11 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；28 % (v/v) PEG 400, 40 mM sodium thiocyanate and 100 mM sodium citrate buffer pH 5.0
|
Resolution 1.90 Å R-free 0.208 |
| 5K2D 1.9A angstrom A2a adenosine receptor structure with MR phasing using XFEL data Deposited 2016-05-18 | 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
23–128（106 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 8 OLA OLEIC ACID × 11 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；28 % (v/v) PEG 400, 40 mM sodium thiocyanate and 100 mM sodium citrate buffer pH 5.0
|
Resolution 1.90 Å R-free 0.207 |
| 5L31 Crystal structure of an engineered metal-free RIDC1 variant containing five disulfide bonds. Deposited 2016-08-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Fragment：UNP residues 23-128
Chain B
23–128（106 aa）
Fragment：UNP residues 23-128
Chain C
23–128（106 aa）
Fragment：UNP residues 23-128
Chain D
23–128（106 aa）
Fragment：UNP residues 23-128
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HEC HEME C × 4 NA SODIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；Drop consists of 1 uL of 45% MPD, and 0.1 M Bis Tris (pH 6.5) mixed with 1.5 uL of 2.8 mM protein
|
Resolution 2.40 Å R-free 0.267 |
| 5L32 Crystal structure of the Zn-RIDC1 complex bearing six interfacial disulfide bonds Deposited 2016-08-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Fragment：UNP residues 23-128
Chain B
23–128（106 aa）
Fragment：UNP residues 23-128
Chain C
23–128（106 aa）
Fragment：UNP residues 23-128
Chain D
23–128（106 aa）
Fragment：UNP residues 23-128
|
Not recorded | HEC HEME C × 4 P6G HEXAETHYLENE GLYCOL × 1 ZN ZINC ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；294 K；0.2 M magnesium chloride, 0.1 M Bis-Tris (pH 6.5), 35% PEG 400
|
Resolution 2.10 Å R-free 0.250 |
| 5L7D Structure of human Smoothened in complex with cholesterol Deposited 2016-06-03 | 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
23–127（105 aa）
Fragment：UNP residues 32-428,UNP residues 23-127,UNP residues 443-555
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CLR CHOLESTEROL × 1 NA SODIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6；293 K；0.1 M MES pH 6, 30% (v/v) PEG500 DME, 0.1 M sodium acetate, 0.5 mM zinc chloride, 0.1 M ammonium fluoride
|
Resolution 3.20 Å R-free 0.264 |
| 5L7D Structure of human Smoothened in complex with cholesterol Deposited 2016-06-03 | 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
23–127（105 aa）
Fragment：UNP residues 32-428,UNP residues 23-127,UNP residues 443-555
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6；293 K；0.1 M MES pH 6, 30% (v/v) PEG500 DME, 0.1 M sodium acetate, 0.5 mM zinc chloride, 0.1 M ammonium fluoride
|
Resolution 3.20 Å R-free 0.264 |
| 5L7I Structure of human Smoothened in complex with Vismodegib Deposited 2016-06-03 | 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
23–127（105 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 VIS 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 4；293 K；0.09 M sodium acetate pH4, 0.09 M sodium malonate, 27% (v/v) PEG500 DME, 0.1 M sodium acetate, 0.5 mM zinc chloride, 0.1 M ammonium fluoride.
|
Resolution 3.30 Å R-free 0.257 |
| 5L7I Structure of human Smoothened in complex with Vismodegib Deposited 2016-06-03 | 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
23–127（105 aa）
|
Not recorded | VIS 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide × 1 NA SODIUM ION × 1 MPG [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 4；293 K；0.09 M sodium acetate pH4, 0.09 M sodium malonate, 27% (v/v) PEG500 DME, 0.1 M sodium acetate, 0.5 mM zinc chloride, 0.1 M ammonium fluoride.
|
Resolution 3.30 Å R-free 0.257 |
| 5MZJ Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with theophylline at 2.0A resolution Deposited 2017-01-31 | 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
23–128（106 aa）
|
Mutation：A54L, T88A, R107A, K122A, N154A, L202A,M1007W,L235A, V239A, S277A, G318A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE,
27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.00 Å R-free 0.204 |
| 5MZP Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with caffeine at 2.1A resolution Deposited 2017-02-01 | 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
23–128（106 aa）
|
Mutation：;A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A ; | NA SODIUM ION × 1 CFF CAFFEINE × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 18 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 TAR D(-)-TARTARIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE,
27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.10 Å R-free 0.220 |
| 5N2R Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with PSB36 at 2.8A resolution Deposited 2017-02-08 | 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
23–127（105 aa）
|
Mutation：;A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A ; | NA SODIUM ION × 1 8JN 1-butyl-3-[(~{E})-3-oxidanylprop-1-enyl]-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 21 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 5 TAR D(-)-TARTARIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.80 Å R-free 0.229 |
| 5N2S Crystal structure of stabilized A1 receptor in complex with PSB36 at 3.3A resolution Deposited 2017-02-08 | 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
22–127（106 aa）
|
Mutation：A57L, T91A, N159A, Y205A, L236A, L240A, T277A, C309S,A57L, T91A, N159A, Y205A, L236A, L240A, T277A, C309S | 8K8 1-butyl-3-(3-oxidanylpropyl)-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7.5；293 K；0.1M SODIUM / POTASSIUM PHOSPHATE PH 7.5, 0.2M LITHIUM SULPHATE, 37.5% (W/V) PEG400
|
Resolution 3.30 Å R-free 0.278 |
| 5NDD Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ8838 at 2.8 angstrom resolution Deposited 2017-03-08 | 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
23–127（105 aa）
|
Mutation：G89A, H108A, G157A, M166L, Y174A, V176E, N222Q, M268A,I289A, L293A | 8TZ (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol × 1 NA SODIUM ION × 1 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.8；293 K；0.1 M sodium citrate/citrate acid pH 5.5-6.2, 0.2 M ammonium phosphate dibasic, 38-43 % (w/v) PEG400 and 1 mM AZ8838
|
Resolution 2.80 Å R-free 0.264 |
| 5NDZ Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ3451 at 3.6 angstrom resolution Deposited 2017-03-09 | 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
23–127（105 aa）
|
Mutation：;G89A, H108A, G157A, M166L, Y174A, V176E, N222Q, M268A, I289A, L293A,G89A, H108A, G157A, M166L, Y174A, V176E, N222Q, M268A, I289A, L293A,G89A, H108A, G157A, M166L, Y174A, V176E, N222Q, M268A, I289A, L293A,G89A, H108A, G157A, M166L, Y174A, V176E, N222Q, M268A, I289A, L293A ; | 8UN 2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.8；293 K；0.1 M sodium citrate/citrate acid pH 5.5-6.2, 0.2 M ammonium phosphate dibasic, 38-43 % (w/v) PEG400
|
Resolution 3.60 Å R-free 0.291 |
| 5NJ6 Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in ternary complex with Fab3949 and AZ7188 at 4.0 angstrom resolution Deposited 2017-03-28 | 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
23–127（105 aa）
|
Mutation：;G89A, H108A, G157A, M166L, Y174A, V176E, N222Q, M268A, I289A, L293A,G89A, H108A, G157A, M166L, Y174A, V176E, N222Q, M268A, I289A, L293A,G89A, H108A, G157A, M166L, Y174A, V176E, N222Q, M268A, I289A, L293A ; | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.7；293 K；0.1M MES pH 5.5-6.2, 0.2M POTASSIUM / SODIUM TARTRATE, 30-35% (W/V) PEG400, 2% (W/V) 2,5-HEXANEDIOL
|
Resolution 4.00 Å R-free 0.319 |
| 5NLX A2A Adenosine receptor room-temperature structure determined by serial millisecond crystallography Deposited 2017-04-05 | 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
23–127（105 aa）
|
Not recorded | OLA OLEIC ACID × 3 NA SODIUM ION × 1 ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；291 K；0.1M sodium citrate pH 5.0, 0.05M sodium thiocyanate, 28-34% PEG400, 5 mM ZM241385, 2% (v/v) 1,6-hexanediol
|
Resolution 2.14 Å R-free 0.229 |
| 5NM2 A2A Adenosine receptor cryo structure Deposited 2017-04-05 | 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
23–127（105 aa）
|
Not recorded | NA SODIUM ION × 1 ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 OLA OLEIC ACID × 15 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 CLR CHOLESTEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；291 K；0.1M sodium citrate pH 5.0, 0.05M sodium thiocyanate, 28-34% PEG400, 5 mM ZM241385, 2% (v/v) 1,6-hexanedio
|
Resolution 1.95 Å R-free 0.212 |
| 5NM4 A2A Adenosine receptor room-temperature structure determined by serial femtosecond crystallography Deposited 2017-04-05 | 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
23–127（105 aa）
|
Not recorded | OLA OLEIC ACID × 5 NA SODIUM ION × 1 ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；291 K；0.1M sodium citrate pH 5.0, 0.05M sodium thiocyanate, 28-34% PEG400, 5 mM ZM241385, 2% (v/v) 1,6-hexanediol
|
Resolution 1.70 Å R-free 0.235 |
| 5OLG Structure of the A2A-StaR2-bRIL562-ZM241385 complex at 1.86A obtained from in meso soaking experiments. Deposited 2017-07-27 | 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
23–127（105 aa）
|
Mutation：;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A ; | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 17 SCN THIOCYANATE ION × 4 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 CIT CITRIC ACID × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293.15 K；Crystal growth: 0.l M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol, 0.5 mM theophylline.
ZM241385 was subsequently added to motherliquor for the soaking experiment at a final concentration of 0.005 mM.
|
Resolution 1.87 Å R-free 0.224 |
| 5OLH Structure of the A2A-StaR2-bRIL562-Vipadenant complex at 2.6A obtained from in meso soaking experiments. Deposited 2017-07-27 | 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
23–128（106 aa）
|
Mutation：;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A ; | 9XT 3-[(4-azanyl-3-methyl-phenyl)methyl]-7-(furan-2-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine × 1 OLA OLEIC ACID × 15 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293.15 K；Crystal growth: 0.l M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol and 0.5 mM theophylline
Vipadenant was added to the mother liquor to a concentration of 0.005 mM for the soaking experiments.
|
Resolution 2.60 Å R-free 0.249 |
| 5OLO Structure of the A2A-StaR2-bRIL562-Tozadenant complex at 3.1A obtained from in meso soaking experiments. Deposited 2017-07-28 | 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
23–127（105 aa）
|
Mutation：A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A | 9XW ~{N}-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methyl-4-oxidanyl-piperidine-1-carboxamide × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 10 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 8 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293.15 K；Crystal growth: 0.l M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol and 0.5 mM theophylline
Tozadenant was added to the mother liquor to a concentration of 0.005 mM for the soaking experiments.
|
Resolution 3.10 Å R-free 0.245 |
| 5OLV Structure of the A2A-StaR2-bRIL562-LUAA47070 complex at 2.0A obtained from in meso soaking experiments. Deposited 2017-07-28 | 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
23–128（106 aa）
|
Mutation：;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A ; | 9Y2 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 13 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293.15 K；Crystal growth: 0.l M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol and 0.5 mM theophylline
LUAA47070 was added to the mother liquor to a concentration of 0.005 mM for the soaking experiments.
|
Resolution 2.00 Å R-free 0.208 |
| 5OLZ Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 1.9A obtained from bespoke co-crystallisation experiments. Deposited 2017-07-28 | 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
23–128（106 aa）
|
Mutation：;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A ; | T4E 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 15 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 11 TAR D(-)-TARTARIC ACID × 1 PGE TRIETHYLENE GLYCOL × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293.15 K；0.l M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol and 0.005 mM Compound 4e.
|
Resolution 1.90 Å R-free 0.196 |
| 5OM1 Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 2.1A obtained from in meso soaking experiments (1 hour soak). Deposited 2017-07-28 | 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
23–128（106 aa）
|
Mutation：;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A ; | T4E 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol × 1 NA SODIUM ION × 1 OLA OLEIC ACID × 14 CLR CHOLESTEROL × 4 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 12 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293.15 K；Crystal growth: 0.l M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol and 0.5 mM theophylline
Compound 4e was added to the mother liquor to a concentration of 0.005 mM for the soaking experiments.
|
Resolution 2.10 Å R-free 0.210 |
| 5OM4 Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 1.86A obtained from in meso soaking experiments (24 hour soak). Deposited 2017-07-28 | 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
23–128（106 aa）
|
Mutation：;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A ; | T4E 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 16 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 11 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293.15 K；Crystal growth: 0.l M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol and 0.5 mM theophylline
Compound 4e was added to the mother liquor to a concentration of 0.005 mM for the soaking experiments.
|
Resolution 2.00 Å R-free 0.205 |
| 5TUD Structural Insights into the Extracellular Recognition of the Human Serotonin 2B Receptor by an Antibody Deposited 2016-11-05 | 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
23–128（106 aa）
Fragment：UNP P41595 residues 36-248 and 314-405 linked by UNP P0ABE7 residues 23-128
|
Mutation：M144W, M1007W, H1102I, R1106L | ERM Ergotamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7.7；293 K；Tris/HCL pH 7.7, 60 mM Sodium/Potassium Tartrate, 25% PEG400.
|
Resolution 3.00 Å R-free 0.247 |
| 5TUD Structural Insights into the Extracellular Recognition of the Human Serotonin 2B Receptor by an Antibody Deposited 2016-11-05 | 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 D
23–128（106 aa）
Fragment：UNP P41595 residues 36-248 and 314-405 linked by UNP P0ABE7 residues 23-128
|
Mutation：M144W, M1007W, H1102I, R1106L | ERM Ergotamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7.7；293 K；Tris/HCL pH 7.7, 60 mM Sodium/Potassium Tartrate, 25% PEG400.
|
Resolution 3.00 Å R-free 0.247 |
| 5TVN Crystal structure of the LSD-bound 5-HT2B receptor Deposited 2016-11-09 | 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
23–128（106 aa）
|
Mutation：M144W, M1007W, H1102I, R1106L | 7LD (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 CLR CHOLESTEROL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM Tris/HCl pH 7.5-8.0, 90-130 mM potassium phosphate monobasic, 28-30% PEG400
|
Resolution 2.90 Å R-free 0.263 |
| 5UEN Crystal structure of the human adenosine A1 receptor A1AR-bRIL in complex with the covalent antagonist DU172 at 3.2A resolution Deposited 2017-01-03 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–127（105 aa）
Fragment：;UNP P30542 reisues 2-210, UNP P0ABE7 residues 23-127, UNP P30542 residues 228-31,UNP P30542 reisues 2-210, UNP P0ABE7 residues 23-127, UNP P30542 residues 228-31,UNP P30542 reisues 2-210, UNP P0ABE7 residues 23-127, UNP P30542 residues 228-31
;
Chain B
23–127（105 aa）
Fragment：;UNP P30542 reisues 2-210, UNP P0ABE7 residues 23-127, UNP P30542 residues 228-31,UNP P30542 reisues 2-210, UNP P0ABE7 residues 23-127, UNP P30542 residues 228-31,UNP P30542 reisues 2-210, UNP P0ABE7 residues 23-127, UNP P30542 residues 228-31
;
|
Not recorded | DU1 4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride × 2 OLA OLEIC ACID × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM Hepes pH 7.0-8.0, 28-38% PEG 300 and 500-700 mM NH4F
|
Resolution 3.20 Å R-free 0.316 |
| 5UIG Crystal structure of adenosine A2A receptor bound to a novel triazole-carboximidamide antagonist Deposited 2017-01-13 | 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
23–128（106 aa）
|
Mutation：M1007W, H1102I, R1106L,M1007W, H1102I, R1106L,M1007W, H1102I, R1106L | EDT {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 8D1 5-amino-N-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)-2H-1,2,3-triazole-4-carboximidamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.045 M MES, 0.045 M MgCl2, 28% PEG400, 5% Jeffamine M-600 (pH 7.0)
|
Resolution 3.50 Å R-free 0.299 |
| 5UIG Crystal structure of adenosine A2A receptor bound to a novel triazole-carboximidamide antagonist Deposited 2017-01-13 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
|
Mutation：M1007W, H1102I, R1106L,M1007W, H1102I, R1106L,M1007W, H1102I, R1106L | EDT {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 8D1 5-amino-N-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)-2H-1,2,3-triazole-4-carboximidamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.045 M MES, 0.045 M MgCl2, 28% PEG400, 5% Jeffamine M-600 (pH 7.0)
|
Resolution 3.50 Å R-free 0.299 |
| 5UNG XFEL structure of human angiotensin II type 2 receptor (Orthorhombic form) in complex with compound 1 (N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl] methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide) Deposited 2017-01-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
23–128（106 aa）
Fragment：UNP P0ABE7 residues 23-128 and UNP P50052 35-335 linked via LINKER resdiues GSGS
|
Mutation：M1007W, H1102I, R1106L | 8ES N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 OLA OLEIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 8；293 K；100 mM Tris-HCl, pH 8.0, 25 mM potassium formate, 25% (v/v) PEG400, and 0.3% (v/v) (+/-)-2-Methyl-2,4-pentanediol
|
Resolution 2.80 Å R-free 0.262 |
| 5UNH Synchrotron structure of human angiotensin II type 2 receptor in complex with compound 2 (N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'- biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide) Deposited 2017-01-30 | Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Fragment：;UNP P0ABE7 residues 23-128 and UNP P50052 35-335 linked via LINKER resdiues GSGS,UNP P0ABE7 residues 23-128 and UNP P50052 35-335 linked via LINKER resdiues GSGS
;
Chain B
23–128（106 aa）
Fragment：;UNP P0ABE7 residues 23-128 and UNP P50052 35-335 linked via LINKER resdiues GSGS,UNP P0ABE7 residues 23-128 and UNP P50052 35-335 linked via LINKER resdiues GSGS
;
|
Mutation：M1007W, H1102I, R1106L,M1007W, H1102I, R1106L Mutation：M1007W, H1102I, R1106L,M1007W, H1102I, R1106L | 8EM N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 8；293 K；100 mM Tris-HCl, pH 8.0, 25 mM potassium formate, 25% (v/v) PEG400, and 0.3% (v/v) (+/-)-2-Methyl-2,4-pentanediol
|
Resolution 2.90 Å R-free 0.259 |
| 5UVI Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation Deposited 2017-02-20 | 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
23–128（106 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 OLA OLEIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；0.1 M sodium citrate pH 5.0, 32 % PEG 400, 75 mM sodium thocyanate
|
Resolution 3.20 Å R-free 0.287 |
| 5VRA 2.35-Angstrom In situ Mylar structure of human A2A adenosine receptor at 100 K Deposited 2017-05-10 | 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
23–128（106 aa）
Fragment：UNP P29274 residues 2-208 and 219-316 linked by UNP P0ABE7 residues 23-128
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 OLA OLEIC ACID × 10 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；25-28% PEG400, 0.04-0.06 M sodium thiocyanate, 2% 2,5-hexanediol, and 100 mM sodium citrate pH 5.0
|
Resolution 2.35 Å R-free 0.223 |
| 5WIU Structure of the human D4 Dopamine receptor in complex with Nemonapride Deposited 2017-07-20 | 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
24–128（105 aa）
|
Not recorded | AQD Nemonapride × 1 PO4 PHOSPHATE ION × 3 OLA OLEIC ACID × 9 PEG DI(HYDROXYETHYL)ETHER × 9 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；298 K；100 mM Tris-HCl, pH 5.8-6.2, 160-200 mM ammonium phosphate dibasic, 34% PEG400
|
Resolution 1.96 Å R-free 0.236 |
| 5WIV Structure of the sodium-bound human D4 Dopamine receptor in complex with Nemonapride Deposited 2017-07-20 | 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
24–128（105 aa）
|
Not recorded | AQD Nemonapride × 1 PO4 PHOSPHATE ION × 5 OLA OLEIC ACID × 8 PEG DI(HYDROXYETHYL)ETHER × 9 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM Tris-HCl, pH 5.9-6.2, 100-140 mM ammonium phosphate dibasic, 180-200 mM sodium chloride, 34% PEG400
|
Resolution 2.14 Å R-free 0.227 |
| 5XJM Complex structure of angiotensin II type 2 receptor with Fab Deposited 2017-05-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Fragment：UNP residues 35-242,UNP residues 246-346
|
Mutation：M1007W, H1102I, R1106L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7；293 K；34%(v/v) PEG 300, 0.1 M HEPES pH 7.0, 0.5%(v/v) Tacsimate (pH7.0)
|
Resolution 3.20 Å R-free 0.275 |
| 5XZI Crystal structure of the Zn-directed tetramer of the engineered cyt cb562 variant, AB5 Deposited 2017-07-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
|
Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, E86D, A89E, Q93H, T96C, R98C, A100H, Y101C | HEC HEME C × 4 ZN ZINC ION × 8 CL CHLORIDE ION × 12 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；31.5% 2-methyl-2,4-pentanediol 400, 0.1M HEPES, pH 7.5, 0.2M MgCl2
|
Resolution 2.65 Å R-free 0.263 |
| 5XZJ Crystal structure of the Zn-directed tetramer of the engineered cyt cb562 variant, C96T/AB5 Deposited 2017-07-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, E86D, A89E, Q93H, R98C, A100H, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, E86D, A89E, Q93H, R98C, A100H, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, E86D, A89E, Q93H, R98C, A100H, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, E86D, A89E, Q93H, R98C, A100H, Y101C | HEC HEME C × 4 ZN ZINC ION × 14 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；45% 2-methyl-2,4-pentanediol 400,
0.1M HEPES, pH 6.5
|
Resolution 1.98 Å R-free 0.217 |
| 5YM7 Crystal Structure of B562RIL without disulfide bond Deposited 2017-10-21 | 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
23–128（106 aa）
|
Mutation：M7W, H102I, R106L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；292 K；NH4(SO4), Bicine , N-octanoylsucrose
|
Resolution 1.56 Å R-free 0.238 |
| 5YM7 Crystal Structure of B562RIL without disulfide bond Deposited 2017-10-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
|
Mutation：M7W, H102I, R106L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；292 K；NH4(SO4), Bicine , N-octanoylsucrose
|
Resolution 1.56 Å R-free 0.238 |
| 5YO3 Crystal Structure of B562RIL with engineered disulfide bond V16C-A29C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Mutation：M7W, V16C, A29C, H102I, R106L | SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 9；292 K；NH4(SO4), Bicine, N-octanoylsucrose
|
Resolution 1.70 Å R-free 0.188 |
| 5YO3 Crystal Structure of B562RIL with engineered disulfide bond V16C-A29C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
|
Mutation：M7W, V16C, A29C, H102I, R106L | SO4 SULFATE ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 9；292 K；NH4(SO4), Bicine, N-octanoylsucrose
|
Resolution 1.70 Å R-free 0.188 |
| 5YO4 Crystal Structure of B562RIL with engineered disulfide bond K27C-A79C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Mutation：M7W, H102I, R106L, K27C, A79C | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；292 K；3.2M NH4(SO4),
0.1M Bicine
2.44mM N-octanoylsucrose
|
Resolution 1.37 Å R-free 0.212 |
| 5YO5 Crystal Structure of B562RIL with engineered disulfide bond A20C-Q25C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Mutation：M7W, H102I, R106L, A20C, Q25C | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；292 K；3.2M NH4(SO4),
0.1M Bicine
2.44mM N-octanoylsucrose
|
Resolution 2.20 Å R-free 0.267 |
| 5YO5 Crystal Structure of B562RIL with engineered disulfide bond A20C-Q25C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
23–128（106 aa）
|
Mutation：M7W, H102I, R106L, A20C, Q25C | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；292 K；3.2M NH4(SO4),
0.1M Bicine
2.44mM N-octanoylsucrose
|
Resolution 2.20 Å R-free 0.267 |
| 5YO5 Crystal Structure of B562RIL with engineered disulfide bond A20C-Q25C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
23–128（106 aa）
|
Mutation：M7W, H102I, R106L, A20C, Q25C | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；292 K；3.2M NH4(SO4),
0.1M Bicine
2.44mM N-octanoylsucrose
|
Resolution 2.20 Å R-free 0.267 |
| 5YO5 Crystal Structure of B562RIL with engineered disulfide bond A20C-Q25C Deposited 2017-10-26 | 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
23–128（106 aa）
|
Mutation：M7W, H102I, R106L, A20C, Q25C | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；292 K；3.2M NH4(SO4),
0.1M Bicine
2.44mM N-octanoylsucrose
|
Resolution 2.20 Å R-free 0.267 |
| 5YO5 Crystal Structure of B562RIL with engineered disulfide bond A20C-Q25C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
23–128（106 aa）
|
Mutation：M7W, H102I, R106L, A20C, Q25C | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；292 K；3.2M NH4(SO4),
0.1M Bicine
2.44mM N-octanoylsucrose
|
Resolution 2.20 Å R-free 0.267 |
| 5YO5 Crystal Structure of B562RIL with engineered disulfide bond A20C-Q25C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain F
23–128（106 aa）
|
Mutation：M7W, H102I, R106L, A20C, Q25C | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；292 K；3.2M NH4(SO4),
0.1M Bicine
2.44mM N-octanoylsucrose
|
Resolution 2.20 Å R-free 0.267 |
| 5YO5 Crystal Structure of B562RIL with engineered disulfide bond A20C-Q25C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain G
23–128（106 aa）
|
Mutation：M7W, H102I, R106L, A20C, Q25C | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；292 K；3.2M NH4(SO4),
0.1M Bicine
2.44mM N-octanoylsucrose
|
Resolution 2.20 Å R-free 0.267 |
| 5YO5 Crystal Structure of B562RIL with engineered disulfide bond A20C-Q25C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain H
23–128（106 aa）
|
Mutation：M7W, H102I, R106L, A20C, Q25C | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；292 K；3.2M NH4(SO4),
0.1M Bicine
2.44mM N-octanoylsucrose
|
Resolution 2.20 Å R-free 0.267 |
| 5YO6 Crystal Structure of B562RIL with engineered disulfide bond T9C-A36C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Mutation：M7W, H102L. R106L, T9C, A36C | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；292 K；3.2M NH4(SO4),
0.1M Bicine
2.44mM N-octanoylsucrose
|
Resolution 1.20 Å R-free 0.237 |
| 6A93 Crystal structure of 5-HT2AR in complex with risperidone Deposited 2018-07-11 | 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
23–62（40 aa）
Chain A
88–128（41 aa）
|
Mutation：S162K, M164W, R120I, H124I, R128G, M29W Mutation：S162K, M164W, R120I, H124I, R128G, M29W | 8NU 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one × 1 CLR CHOLESTEROL × 1 ZN ZINC ION × 1 1PE PENTAETHYLENE GLYCOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM MES, pH 6.0-6.5, 28-31% (v/v) PEG 400, 120-200 mM Am-formate, 1-2% (v/v) DMSO
|
Resolution 3.00 Å R-free 0.275 |
| 6A93 Crystal structure of 5-HT2AR in complex with risperidone Deposited 2018-07-11 | 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
23–62（40 aa）
Chain B
88–128（41 aa）
|
Mutation：S162K, M164W, R120I, H124I, R128G, M29W Mutation：S162K, M164W, R120I, H124I, R128G, M29W | 8NU 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one × 1 CLR CHOLESTEROL × 1 PLM PALMITIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM MES, pH 6.0-6.5, 28-31% (v/v) PEG 400, 120-200 mM Am-formate, 1-2% (v/v) DMSO
|
Resolution 3.00 Å R-free 0.275 |
| 6A94 Crystal structure of 5-HT2AR in complex with zotepine Deposited 2018-07-11 | 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
23–62（40 aa）
Chain A
88–128（41 aa）
|
Mutation：S162K, M164W,R120I, H124I, R128G, M29W Mutation：S162K, M164W,R120I, H124I, R128G, M29W | ZOT 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine × 1 CLR CHOLESTEROL × 1 1PE PENTAETHYLENE GLYCOL × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM MES, pH 6.0, or HEPES, pH 7.0, 30% (v/v) PEG400, 100 mM Li-chloride, Na-acetate, or 14 other various salts from StockOptions Salt (Hampton Research)
|
Resolution 2.90 Å R-free 0.269 |
| 6A94 Crystal structure of 5-HT2AR in complex with zotepine Deposited 2018-07-11 | 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
23–62（40 aa）
Chain B
88–128（41 aa）
|
Mutation：S162K, M164W,R120I, H124I, R128G, M29W Mutation：S162K, M164W,R120I, H124I, R128G, M29W | ZOT 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine × 1 CLR CHOLESTEROL × 1 PLM PALMITIC ACID × 1 A6L 2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM MES, pH 6.0, or HEPES, pH 7.0, 30% (v/v) PEG400, 100 mM Li-chloride, Na-acetate, or 14 other various salts from StockOptions Salt (Hampton Research)
|
Resolution 2.90 Å R-free 0.269 |
| 6AI5 Disulfide-free, Zn-directed tetramer of the engineered cyt cb562 variant, C96T/A104AB3 Deposited 2018-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain C
23–128（106 aa）
Chain E
23–128（106 aa）
Chain G
23–128（106 aa）
|
Mutation：C96T/A104AB3 Mutation：C96T/A104AB3 Mutation：C96T/A104AB3 Mutation：C96T/A104AB3 | HEM PROTOPORPHYRIN IX CONTAINING FE × 4 ZN ZINC ION × 8 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；12.5% PEG 3350, pH 7.5, 0.2 M MgCl2
|
Resolution 1.81 Å R-free 0.209 |
| 6AK3 Crystal structure of the human prostaglandin E receptor EP3 bound to prostaglandin E2 Deposited 2018-08-29 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–62（40 aa）
Chain A
85–127（43 aa）
Chain B
23–62（40 aa）
Chain B
85–127（43 aa）
|
Mutation：A173I,V185S,N217Q,S258D,C289L,N308Q,M1007W,R1098I,H1102I Mutation：A173I,V185S,N217Q,S258D,C289L,N308Q,M1007W,R1098I,H1102I Mutation：A173I,V185S,N217Q,S258D,C289L,N308Q,M1007W,R1098I,H1102I Mutation：A173I,V185S,N217Q,S258D,C289L,N308Q,M1007W,R1098I,H1102I | P2E (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid × 2 POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；buffer A (0.1 M MES-NaOH (pH 6.0), 35 % PEG300, 400 mM Na2SO4, 1% 1,2,3-heptanetriol, 0.2 mM ONO-AE3-240),
buffer B (0.1 M MES-NaOH (pH 5.5-6.0), 30-40 % PEG300, 100 mM NaCl, 100 mM Li2SO4, 1% 1,2,3-heptanetriol, 0.2 mM ONO-AE3-240),
buffer C (0.1 M MES-NaOH (pH 6.1) or 0.1 M Tris-HCl (pH 7.5-8.0), 30 % PEG500MME, 200 mM (NH4)2SO4, 1% 1,2,3-heptanetriol, 0.2 mM ONO-AE3-240), buffer D (0.1 M MES-NaOH (pH 5.8-6.1), 30 % PEG300, 100 mM MgSO4, 1% 1,2,3-heptanetriol, 0.2 mM ONO-AE3-240), buffer E (0.1 M MES-NaOH (pH 5.5), 30 % PEG300, 100 mM K2SO4, 1% 1,2,3-heptanetriol, 0.2 mM ONO-AE3-240)
|
Resolution 2.90 Å R-free 0.295 |
| 6AQF Crystal structure of A2AAR-BRIL in complex with the antagonist ZM241385 produced from Pichia pastoris Deposited 2017-08-19 | 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
23–128（106 aa）
Fragment：;UNP P29274 residues 2-208 and 219-316 linked via UNP P0ABE7 residues 23-128,UNP P29274 residues 2-208 and 219-316 linked via UNP P0ABE7 residues 23-128,UNP P29274 residues 2-208 and 219-316 linked via UNP P0ABE7 residues 23-128
;
|
Mutation：M1007W, H1102I, R1106L,M1007W, H1102I, R1106L,M1007W, H1102I, R1106L | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 3 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 OLA OLEIC ACID × 7 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；26-28 % (v/v) PEG400
40-60 mM sodium thiocyanate
2% (v/v) 2,5-hexanediol
100mM sodium citrate pH 5.0
|
Resolution 2.51 Å R-free 0.256 |
| 6B73 Crystal Structure of a nanobody-stabilized active state of the kappa-opioid receptor Deposited 2017-10-03 | 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
23–128（106 aa）
Fragment：unp residues 23-128; unp residues 54-358
|
Mutation：M29W, H124I, L51R, I135L | CVV N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide × 1 CLR CHOLESTEROL × 1 OLA OLEIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM Bis-tris pH 6.5-7.0, 140-200 mM magnesium sulfate hydrate, 100 mM sodium citrate tribasic dehydrate, 10 mM Manganese(II) chloride tetrahydrate, 28-30% PEG400
|
Resolution 3.10 Å R-free 0.275 |
| 6B73 Crystal Structure of a nanobody-stabilized active state of the kappa-opioid receptor Deposited 2017-10-03 | 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
23–128（106 aa）
Fragment：unp residues 23-128; unp residues 54-358
|
Mutation：M29W, H124I, L51R, I135L | CVV N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide × 1 CLR CHOLESTEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM Bis-tris pH 6.5-7.0, 140-200 mM magnesium sulfate hydrate, 100 mM sodium citrate tribasic dehydrate, 10 mM Manganese(II) chloride tetrahydrate, 28-30% PEG400
|
Resolution 3.10 Å R-free 0.275 |
| 6BQG Crystal structure of 5-HT2C in complex with ergotamine Deposited 2017-11-27 | 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
23–128（106 aa）
|
Mutation：M29W, H124I, R128L, C360N | ERM Ergotamine × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.1 M sodium citrate pH 6.0, 100mM (NH4)2SO4, 30% PEG400
|
Resolution 3.00 Å R-free 0.291 |
| 6BQH Crystal structure of 5-HT2C in complex with ritanserin Deposited 2017-11-27 | 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
23–128（106 aa）
|
Not recorded | E2J 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 PEG DI(HYDROXYETHYL)ETHER × 1 OLA OLEIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.1 M sodium citrate pH 6.0, 100mM (NH4)2SO4, 30% PEG400
|
Resolution 2.70 Å R-free 0.275 |
| 6C1Q Crystal structure of human C5a receptor in complex with an orthosteric antagonist PMX53 and an allosteric antagonist NDT9513727 Deposited 2018-01-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
23–128（106 aa）
Fragment：cytochrome (UNP residues 23-127) + C5a receptor (UNP residues 30-331)
|
Mutation：M29W, H124I, R128L Non-standard monomer：Yes (specific site not provided by mmCIF) | 9P2 1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6.5；283 K；25-35% PEG300, 100 mM MES, pH 6.5, 80-150 mM sodium malonate, 0.5% P400, 5 uM NDT, 5 uM PMX53
|
Resolution 2.90 Å R-free 0.286 |
| 6C1R Crystal structure of human C5a receptor in complex with an orthosteric antagonist PMX53 and an allosteric antagonist avacopan Deposited 2018-01-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
23–128（106 aa）
Fragment：cytochrome (UNP residues 23-127) + C5a receptor (UNP residues 30-331)
|
Mutation：M29W, H124I, R128L Non-standard monomer：Yes (specific site not provided by mmCIF) | EFD avacopan × 1 MLI MALONATE ION × 2 NA SODIUM ION × 1 PGE TRIETHYLENE GLYCOL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 OLA OLEIC ACID × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6.5；283 K；25-32% PEG300, 100 mM MES, pH6.5, 90-120 mM sodium malonate, 1% P400, 5 uM avacopan, 5 uM PMX53
|
Resolution 2.20 Å R-free 0.224 |
| 6CBV Crystal structure of BRIL bound to an affinity matured synthetic antibody. Deposited 2018-02-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
23–128（106 aa）
|
Mutation：M7W, H102I, R106L | GOL GLYCEROL × 2 FMT FORMIC ACID × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.2 M Sodium formate, 20 % w/v PEG 3350
|
Resolution 1.87 Å R-free 0.225 |
| 6CC4 Structure of MurJ from Escherichia coli Deposited 2018-02-05 | 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
23–127（105 aa）
|
Not recorded | PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6；293 K；100 mM MES, pH 6.0, 100 mM potassium phosphate dibasic, 28% PEG300, 1% 1,2,3-heptanetriol, lipid stock used for reconstitution was 10:1 w/w monoolein:cholesterol
|
Resolution 3.50 Å R-free 0.301 |
| 6CMO Rhodopsin-Gi complex Deposited 2018-03-05 | 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 Heteromer；Protein × 6 PDB declaration: hexameric |
Chain R
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.2
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.50 Å |
| 6D32 Crystal structure of Xenopus Smoothened in complex with cyclopamine Deposited 2018-04-14 | 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
23–127（105 aa）
|
Not recorded | CY8 Cyclopamine × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；Reconstituted in 10:1 monoolein:cholesterol mix. Precipitant solution: 35-45% PEG 300, 300-500 mM LiSO4, 0.1 M MES pH 6-6.5
|
Resolution 3.75 Å R-free 0.260 |
| 6D35 Crystal structure of Xenopus Smoothened in complex with cholesterol Deposited 2018-04-14 | 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
23–127（105 aa）
|
Not recorded | CLR CHOLESTEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；Reconstituted in 10:1 monoolein:cholesterol mix. Precipitant solution: 35-45% PEG 300, 300-500 mM LiSO4, 0.1 M MES pH 6-6.5
|
Resolution 3.90 Å R-free 0.304 |
| 6DHY Crystallogrpahic tetramer of Zn-bound RIDC1 variant bearing two disulfide bonded cysteines Deposited 2018-05-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：R34A, A38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation：R34A, A38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation：R34A, A38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation：R34A, A38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C | HEC HEME C × 4 CA CALCIUM ION × 3 ZN ZINC ION × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；8% PEG 1900 MME (w/v), 40 mM CaCl2, 33.3 mM Tris (pH 7.5)
|
Resolution 2.22 Å R-free 0.258 |
| 6DHZ Crystallographic octamer of a metal-free RIDC1 variant bearing two disulfide bonded cysteines Deposited 2018-05-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：R34A, A38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation：R34A, A38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation：R34A, A38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation：R34A, A38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C | HEC HEME C × 8 CA CALCIUM ION × 14 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；15% 2-methyl-2,4-pentane diol (v/v), 33.3 mM Bis-Tris (pH 6.5), 66.7 mM CaCl2
|
Resolution 2.80 Å R-free 0.277 |
| 6DO1 Structure of nanobody-stabilized angiotensin II type 1 receptor bound to S1I8 Deposited 2018-06-08 | 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
24–122（99 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CL CHLORIDE ION × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 8；293.15 K；Protein was reconstituted with a 10:1 (w:w) mix of monoolein and cholesterol. Crystals were grown in cubic phase sandwich plates with using 100 mM Tris pH 8.0, 15-25 mM MgCl2, and 28-29% PEG 300
|
Resolution 2.90 Å R-free 0.359 |
| 6DO1 Structure of nanobody-stabilized angiotensin II type 1 receptor bound to S1I8 Deposited 2018-06-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
24–122（99 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CL CHLORIDE ION × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 8；293.15 K；Protein was reconstituted with a 10:1 (w:w) mix of monoolein and cholesterol. Crystals were grown in cubic phase sandwich plates with using 100 mM Tris pH 8.0, 15-25 mM MgCl2, and 28-29% PEG 300
|
Resolution 2.90 Å R-free 0.359 |
| 6DRX Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor Deposited 2018-06-13 | 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
23–123（101 aa）
|
Not recorded | H8G N,N-diethyl-N'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea × 1 CLR CHOLESTEROL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM Tris/HCl pH 7.4-7.7, 30-50 mM
Ammonium tartrate dibasic, 30% v/v PEG400
|
Resolution 3.10 Å R-free 0.286 |
| 6DRY Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor Deposited 2018-06-13 | 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
23–123（101 aa）
|
Not recorded | H8D (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 CLR CHOLESTEROL × 1 OLA OLEIC ACID × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 PO4 PHOSPHATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM Tris/HCl pH 7.2-8.0, 170-190 mM Potassium phosphate monobasic, 30% v/v PEG400
|
Resolution 2.92 Å R-free 0.272 |
| 6DRZ Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor Deposited 2018-06-13 | 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
23–123（101 aa）
|
Not recorded | CLR CHOLESTEROL × 1 OLA OLEIC ACID × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 PO4 PHOSPHATE ION × 1 H8J (8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM Tris/HCl pH 7.3-7.5, 40-100 mM MgCl2, 30% v/v PEG400
|
Resolution 3.10 Å R-free 0.263 |
| 6DS0 Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor Deposited 2018-06-13 | 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
23–128（106 aa）
|
Not recorded | CLR CHOLESTEROL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 H8M (1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM Tris/HCl pH 8.0, 100 mM Sodium Formate, 30% v/v PEG400
|
Resolution 3.19 Å R-free 0.264 |
| 6DY4 Fe(II)-bound structure of the engineered cyt cb562 variant, CH2E Deposited 2018-07-01 | 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
23–128（106 aa）
|
Mutation：K59W, I67H, G70Y, Q71H, T96C, T97E, R98C, Y101C | FE FE (III) ION × 1 HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Drop consists of 2 uL of 25% PEG 1500, and 0.1 M Tris (pH 8.5) mixed with 2 uL of 4 mM protein and 2.5 mM Iron(II) Sulfate (Anaerobic crystal growth)
|
Resolution 1.90 Å R-free 0.254 |
| 6DY4 Fe(II)-bound structure of the engineered cyt cb562 variant, CH2E Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
23–128（106 aa）
|
Mutation：K59W, I67H, G70Y, Q71H, T96C, T97E, R98C, Y101C | FE FE (III) ION × 1 HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Drop consists of 2 uL of 25% PEG 1500, and 0.1 M Tris (pH 8.5) mixed with 2 uL of 4 mM protein and 2.5 mM Iron(II) Sulfate (Anaerobic crystal growth)
|
Resolution 1.90 Å R-free 0.254 |
| 6DY6 Mn(II)-bound structure of the engineered cyt cb562 variant, CH2E Deposited 2018-07-01 | 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
23–128（106 aa）
|
Mutation：K59W, I67H, G70Y, Q71H, T96C, T97E, R98C, Y101C | MN MANGANESE (II) ION × 2 HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Drop consists of 1 uL of 30% PEG 400, 200 mM Ammonium Acetate and 0.1 M Tris (pH 8.5) mixed with 1 uL of 2.5 mM protein and 2 mM Manganese(II) Chloride
|
Resolution 1.80 Å R-free 0.260 |
| 6DY6 Mn(II)-bound structure of the engineered cyt cb562 variant, CH2E Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
23–128（106 aa）
|
Mutation：K59W, I67H, G70Y, Q71H, T96C, T97E, R98C, Y101C | HEC HEME C × 1 1PE PENTAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Drop consists of 1 uL of 30% PEG 400, 200 mM Ammonium Acetate and 0.1 M Tris (pH 8.5) mixed with 1 uL of 2.5 mM protein and 2 mM Manganese(II) Chloride
|
Resolution 1.80 Å R-free 0.260 |
| 6DY8 Mn(II)-bound structure of the engineered cyt cb562 variant, CH2EY Deposited 2018-07-01 | 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
23–128（106 aa）
|
Mutation：K59W, I67H, G70Y, Q71H, T96C, T97E, R98C, Y101C | HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Drop consists of 1 uL of 25% PEG 1500, 200 mM Calcium Chloride, and 0.1 M Tris (pH 8.5) mixed with 1 uL of 3.5 mM protein and 3.5 mM Manganese(II)Chloride
|
Resolution 1.90 Å R-free 0.278 |
| 6DY8 Mn(II)-bound structure of the engineered cyt cb562 variant, CH2EY Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
23–128（106 aa）
|
Mutation：K59W, I67H, G70Y, Q71H, T96C, T97E, R98C, Y101C | HEC HEME C × 1 MN MANGANESE (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Drop consists of 1 uL of 25% PEG 1500, 200 mM Calcium Chloride, and 0.1 M Tris (pH 8.5) mixed with 1 uL of 3.5 mM protein and 3.5 mM Manganese(II)Chloride
|
Resolution 1.90 Å R-free 0.278 |
| 6DY8 Mn(II)-bound structure of the engineered cyt cb562 variant, CH2EY Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
23–128（106 aa）
|
Mutation：K59W, I67H, G70Y, Q71H, T96C, T97E, R98C, Y101C | HEC HEME C × 1 MN MANGANESE (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Drop consists of 1 uL of 25% PEG 1500, 200 mM Calcium Chloride, and 0.1 M Tris (pH 8.5) mixed with 1 uL of 3.5 mM protein and 3.5 mM Manganese(II)Chloride
|
Resolution 1.90 Å R-free 0.278 |
| 6DY8 Mn(II)-bound structure of the engineered cyt cb562 variant, CH2EY Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
23–128（106 aa）
|
Mutation：K59W, I67H, G70Y, Q71H, T96C, T97E, R98C, Y101C | HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Drop consists of 1 uL of 25% PEG 1500, 200 mM Calcium Chloride, and 0.1 M Tris (pH 8.5) mixed with 1 uL of 3.5 mM protein and 3.5 mM Manganese(II)Chloride
|
Resolution 1.90 Å R-free 0.278 |
| 6DYB Metal-free structure of the engineered cyt cb562 variant, CH3 Deposited 2018-07-01 | 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
23–128（106 aa）
|
Mutation：K59W, I67H, Q71H, T96C, T97H, R98C, Y101C | HEC HEME C × 1 CA CALCIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；Drop consists of 1 uL of 30% PEG 400, 200 mM calcium chloride and 0.1 M Hepes (pH 7.5) mixed with 1 uL of 2.5 mM protein
|
Resolution 2.75 Å R-free 0.309 |
| 6DYB Metal-free structure of the engineered cyt cb562 variant, CH3 Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
23–128（106 aa）
|
Mutation：K59W, I67H, Q71H, T96C, T97H, R98C, Y101C | HEC HEME C × 1 CA CALCIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；Drop consists of 1 uL of 30% PEG 400, 200 mM calcium chloride and 0.1 M Hepes (pH 7.5) mixed with 1 uL of 2.5 mM protein
|
Resolution 2.75 Å R-free 0.309 |
| 6DYC Co(II)-bound structure of the engineered cyt cb562 variant, CH3 Deposited 2018-07-01 | 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
23–128（106 aa）
|
Mutation：K59W, I67H, Q71H, T96C, T97H, R98C, Y101C | CO COBALT (II) ION × 1 HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；Drop consists of 2 uL of 25% PEG 3350, 200 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 5.5) mixed with 2 uL of 3 mM protein and 3 mM Cobalt(II) Chloride
|
Resolution 1.33 Å R-free 0.192 |
| 6DYC Co(II)-bound structure of the engineered cyt cb562 variant, CH3 Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
23–128（106 aa）
|
Mutation：K59W, I67H, Q71H, T96C, T97H, R98C, Y101C | HEC HEME C × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；Drop consists of 2 uL of 25% PEG 3350, 200 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 5.5) mixed with 2 uL of 3 mM protein and 3 mM Cobalt(II) Chloride
|
Resolution 1.33 Å R-free 0.192 |
| 6DYD Cu(II)-bound structure of the engineered cyt cb562 variant, CH3 Deposited 2018-07-01 | 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
23–128（106 aa）
|
Mutation：K59W, I67H, Q71H, T96C, T97H, R98C, Y101C | CA CALCIUM ION × 2 HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；Drop consists of 2 uL of 45% MPD, 200 mM calcium chloride and 0.1 M Bis-Tris (pH 5.5) mixed with 2 uL of 2 mM protein and 2 mM Copper(II) sulfate
|
Resolution 1.72 Å R-free 0.247 |
| 6DYD Cu(II)-bound structure of the engineered cyt cb562 variant, CH3 Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
23–128（106 aa）
|
Mutation：K59W, I67H, Q71H, T96C, T97H, R98C, Y101C | CA CALCIUM ION × 3 HEC HEME C × 1 CU COPPER (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；Drop consists of 2 uL of 45% MPD, 200 mM calcium chloride and 0.1 M Bis-Tris (pH 5.5) mixed with 2 uL of 2 mM protein and 2 mM Copper(II) sulfate
|
Resolution 1.72 Å R-free 0.247 |
| 6DYE Fe(II)-bound structure of the engineered cyt cb562 variant, CH3 Deposited 2018-07-01 | 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
23–128（106 aa）
|
Mutation：K59W, I67H, Q71H, T96C, T97H, R98C, Y101C | FE FE (III) ION × 1 HEC HEME C × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；Drop consists of 2 uL of 25% PEG 1500, 200 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.5) mixed with 2 uL of 3 mM protein and 2 mM Iron(II) Sulfate (Anaerobic crystal growth)
|
Resolution 2.25 Å R-free 0.270 |
| 6DYE Fe(II)-bound structure of the engineered cyt cb562 variant, CH3 Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
23–128（106 aa）
|
Mutation：K59W, I67H, Q71H, T96C, T97H, R98C, Y101C | HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；Drop consists of 2 uL of 25% PEG 1500, 200 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.5) mixed with 2 uL of 3 mM protein and 2 mM Iron(II) Sulfate (Anaerobic crystal growth)
|
Resolution 2.25 Å R-free 0.270 |
| 6DYF Cu(II)-bound structure of the engineered cyt cb562 variant, CH3Y Deposited 2018-07-01 | 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
23–128（106 aa）
|
Mutation：K59W, I67H, G70Y, Q71H, T96C, T97H, R98C, Y101C | HEC HEME C × 1 CU COPPER (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；Drop consists of 2 uL of 30% PEG 400, 200 mM Magnesium Choride and 0.1 M Bis-Tris (pH 5.5) mixed with 1 uL of 2.7 mM protein and 1.5 mM Copper(II) Sulfate
|
Resolution 1.10 Å R-free 0.165 |
| 6DYF Cu(II)-bound structure of the engineered cyt cb562 variant, CH3Y Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
23–128（106 aa）
|
Mutation：K59W, I67H, G70Y, Q71H, T96C, T97H, R98C, Y101C | HEC HEME C × 1 PEG DI(HYDROXYETHYL)ETHER × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；Drop consists of 2 uL of 30% PEG 400, 200 mM Magnesium Choride and 0.1 M Bis-Tris (pH 5.5) mixed with 1 uL of 2.7 mM protein and 1.5 mM Copper(II) Sulfate
|
Resolution 1.10 Å R-free 0.165 |
| 6DYG Fe(II)-bound structure of the engineered cyt cb562 variant, CH3Y Deposited 2018-07-01 | 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
23–128（106 aa）
|
Mutation：K59W, I67H, G70Y, Q71H, T96C, T97H, R98C, Y101C | HEC HEME C × 1 FE FE (III) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；Drop consists of 2 uL of 25% PEG 1500, 200 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.5) mixed with 1 uL of 2.7 mM protein and 1.5 mM Iron(II) Sulfate (Anaerobic crystal growth)
|
Resolution 1.49 Å R-free 0.217 |
| 6DYG Fe(II)-bound structure of the engineered cyt cb562 variant, CH3Y Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
23–128（106 aa）
|
Mutation：K59W, I67H, G70Y, Q71H, T96C, T97H, R98C, Y101C | HEC HEME C × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；Drop consists of 2 uL of 25% PEG 1500, 200 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.5) mixed with 1 uL of 2.7 mM protein and 1.5 mM Iron(II) Sulfate (Anaerobic crystal growth)
|
Resolution 1.49 Å R-free 0.217 |
| 6DYH Vanadyl-bound structure of the engineered cyt cb562 variant, CH3Y Deposited 2018-07-01 | 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
23–128（106 aa）
|
Mutation：K59W, I67H, G70Y, Q71H, T96C, T97H, R98C, Y101C | V VANADIUM ION × 1 HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；Drop consists of 1 uL of 40% PPG, 200 mM calcium chloride and 0.1 M Bis-Tris (pH 5.5) mixed with 1 uL of 3.5 mM protein and 2 mM Vanadyl Sulfate (Anaerobic crystal growth)
|
Resolution 1.83 Å R-free 0.234 |
| 6DYH Vanadyl-bound structure of the engineered cyt cb562 variant, CH3Y Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
23–128（106 aa）
|
Mutation：K59W, I67H, G70Y, Q71H, T96C, T97H, R98C, Y101C | HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；Drop consists of 1 uL of 40% PPG, 200 mM calcium chloride and 0.1 M Bis-Tris (pH 5.5) mixed with 1 uL of 3.5 mM protein and 2 mM Vanadyl Sulfate (Anaerobic crystal growth)
|
Resolution 1.83 Å R-free 0.234 |
| 6DYI Co(II)-bound structure of the engineered cyt cb562 variant, H3 Deposited 2018-07-01 | 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 B
23–128（106 aa）
|
Mutation：K59W, I67H, Q71H, T97H, R98C, Y101C | CO COBALT (II) ION × 1 HEC HEME C × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Drop consists of 1 uL of 25% PEG 5000 MME, 200 mM Calcium Chloride and 0.1 M Tris (pH 8.5) mixed with 1 uL of 5 mM protein and 10 mM Cobalt(II) Chloride
|
Resolution 1.96 Å R-free 0.255 |
| 6DYJ Iron-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | 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
23–128（106 aa）
|
Mutation：M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | FE FE (III) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；Drop consists of 2 uL of 25% PEP 426, 100 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.0) mixed with 1 uL of 2 mM protein and 1.1 mM Iron(II) Sulfate (Anaerobic crystal growth)
|
Resolution 1.96 Å R-free 0.252 |
| 6DYJ Iron-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
23–128（106 aa）
|
Mutation：M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；Drop consists of 2 uL of 25% PEP 426, 100 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.0) mixed with 1 uL of 2 mM protein and 1.1 mM Iron(II) Sulfate (Anaerobic crystal growth)
|
Resolution 1.96 Å R-free 0.252 |
| 6DYJ Iron-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
23–128（106 aa）
|
Mutation：M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；Drop consists of 2 uL of 25% PEP 426, 100 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.0) mixed with 1 uL of 2 mM protein and 1.1 mM Iron(II) Sulfate (Anaerobic crystal growth)
|
Resolution 1.96 Å R-free 0.252 |
| 6DYJ Iron-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain G
23–128（106 aa）
|
Mutation：M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | FE FE (III) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；Drop consists of 2 uL of 25% PEP 426, 100 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.0) mixed with 1 uL of 2 mM protein and 1.1 mM Iron(II) Sulfate (Anaerobic crystal growth)
|
Resolution 1.96 Å R-free 0.252 |
| 6DYK Iron- and Nitric Oxide-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | 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
23–128（106 aa）
|
Mutation：M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；Drop consists of 2 uL of 25% PEP 426, 50 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.0) mixed with 1 uL of 4 mM protein and 2.2 mM Iron(II) Sulfate (Anaerobic crystal growth). Diethylamine NONOate (5 mM) was added to mother liquor prior to crystal harvest
|
Resolution 1.96 Å R-free 0.249 |
| 6DYK Iron- and Nitric Oxide-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
23–128（106 aa）
|
Mutation：M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；Drop consists of 2 uL of 25% PEP 426, 50 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.0) mixed with 1 uL of 4 mM protein and 2.2 mM Iron(II) Sulfate (Anaerobic crystal growth). Diethylamine NONOate (5 mM) was added to mother liquor prior to crystal harvest
|
Resolution 1.96 Å R-free 0.249 |
| 6DYK Iron- and Nitric Oxide-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
23–128（106 aa）
|
Mutation：M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | FE FE (III) ION × 1 NO NITRIC OXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；Drop consists of 2 uL of 25% PEP 426, 50 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.0) mixed with 1 uL of 4 mM protein and 2.2 mM Iron(II) Sulfate (Anaerobic crystal growth). Diethylamine NONOate (5 mM) was added to mother liquor prior to crystal harvest
|
Resolution 1.96 Å R-free 0.249 |
| 6DYK Iron- and Nitric Oxide-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain G
23–128（106 aa）
|
Mutation：M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | FE FE (III) ION × 1 NO NITRIC OXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；Drop consists of 2 uL of 25% PEP 426, 50 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.0) mixed with 1 uL of 4 mM protein and 2.2 mM Iron(II) Sulfate (Anaerobic crystal growth). Diethylamine NONOate (5 mM) was added to mother liquor prior to crystal harvest
|
Resolution 1.96 Å R-free 0.249 |
| 6DYL Vanadyl-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | 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
23–128（106 aa）
|
Mutation：M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | V VANADIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；Drop consists of 1 uL of 35% PEP 426, 50 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 5.5) mixed with 1 uL of 4 mM protein and 2.2 mM Vanadyl Sulfate (Anaerobic crystal growth)
|
Resolution 1.69 Å R-free 0.226 |
| 6DYL Vanadyl-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
23–128（106 aa）
|
Mutation：M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | V VANADIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；Drop consists of 1 uL of 35% PEP 426, 50 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 5.5) mixed with 1 uL of 4 mM protein and 2.2 mM Vanadyl Sulfate (Anaerobic crystal growth)
|
Resolution 1.69 Å R-free 0.226 |
| 6DYL Vanadyl-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
23–128（106 aa）
|
Mutation：M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；Drop consists of 1 uL of 35% PEP 426, 50 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 5.5) mixed with 1 uL of 4 mM protein and 2.2 mM Vanadyl Sulfate (Anaerobic crystal growth)
|
Resolution 1.69 Å R-free 0.226 |
| 6DYL Vanadyl-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain G
23–128（106 aa）
|
Mutation：M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；Drop consists of 1 uL of 35% PEP 426, 50 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 5.5) mixed with 1 uL of 4 mM protein and 2.2 mM Vanadyl Sulfate (Anaerobic crystal growth)
|
Resolution 1.69 Å R-free 0.226 |
| 6G7O Crystal structure of human alkaline ceramidase 3 (ACER3) at 2.7 Angstrom resolution Deposited 2018-04-06 | 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
23–127（105 aa）
|
Not recorded | ZN ZINC ION × 1 SO4 SULFATE ION × 6 NA SODIUM ION × 3 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 CA CALCIUM ION × 1 MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7.5；293.15 K；75mM MgSO4, 34-40% PEG400, 5% DMSO
|
Resolution 2.70 Å R-free 0.270 |
| 6GT3 Crystal Structure of the A2A-StaR2-bRIL562 in complex with AZD4635 at 2.0A resolution Deposited 2018-06-15 | 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
23–127（105 aa）
|
Mutation：;A54L, T88A, R107A, K122A, N154A, L202A, M1007W, H1102I, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, H1102I, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, H1102I, L235A, V239A, S277A ; | NA SODIUM ION × 1 F9Q 6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 15 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.3；293.15 K；0.1 M TRI-SODIUM CITRATE PH 5.3-5.4, 0.05 M SODIUM THIOCYANATE, 29-32% PEG400, 2%(V/V) 2,5-HEXANEDIOL
|
Resolution 2.00 Å R-free 0.201 |
| 6IIU Crystal structure of the human thromboxane A2 receptor bound to ramatroban Deposited 2018-10-07 | 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
23–128（106 aa）
|
Mutation：M1007W/H1102I/R1106L/L247A | A8X 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid × 1 ZN ZINC ION × 1 CLR CHOLESTEROL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；Magnesium acetate, PEG 500 DME
|
Resolution 2.50 Å R-free 0.218 |
| 6IIV Crystal structure of the human thromboxane A2 receptor bound to daltroban Deposited 2018-10-07 | 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
23–128（106 aa）
|
Mutation：M1007W/H1102I/R1106L/L247A | A90 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid × 1 ZN ZINC ION × 1 CLR CHOLESTEROL × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；Magnesium acetate, PEG 400
|
Resolution 3.00 Å R-free 0.237 |
| 6IQL Crystal structure of dopamine receptor D4 bound to the subtype-selective ligand, L745870 Deposited 2018-11-08 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–127（105 aa）
Chain B
23–127（105 aa）
|
Mutation：F121W,C181R,P201I,M1007W,H1106L,P317A,G307A Mutation：F121W,C181R,P201I,M1007W,H1106L,P317A,G307A | L74 3-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-1H-pyrrolo[2,3-b]pyridine × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6；293 K；100 mM MES (pH 6.0), 50 mM ammonium citrate, 30% PEG 400
|
Resolution 3.50 Å R-free 0.336 |
| 6JOD Angiotensin II type 2 receptor with ligand Deposited 2019-03-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain C
23–62（40 aa）
Chain C
89–128（40 aa）
|
Mutation：M1007W,R1098I,H1102I,R1106G Mutation：M1007W,R1098I,H1102I,R1106G | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；30% (v/v) PEG 300
0.1 M HEPES (pH 7.0)
100 mM Sodium phosphate dibasic dihydrate
|
Resolution 3.20 Å R-free 0.287 |
| 6JZH Structure of human A2A adenosine receptor in complex with ZM241385 obtained from SFX experiments under atmospheric pressure Deposited 2019-05-02 | 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
23–128（106 aa）
|
Mutation：N154Q,M29W,H124I,R128L | NA SODIUM ION × 1 ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 OLA OLEIC ACID × 19 CLR CHOLESTEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；27% (v/v) PEG400, 50-mM sodium thiocyanate, 2% (v/v) 2,5-hexanediol, 100-mM sodium citrate (pH 5.0)
|
Resolution 2.25 Å R-free 0.218 |
| 6KO5 Complex structure of Ghrelin receptor with Fab Deposited 2019-08-08 | 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
23–128（106 aa）
|
Not recorded | 8QX 6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{S})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM MES (pH6.6-7.0), 400 mM potassium acetate and 36-40% polyethylene glycol (PEG) 300.
|
Resolution 3.30 Å R-free 0.258 |
| 6LPJ A2AR crystallized in EROCOC17+4, LCP-SFX at 277 K Deposited 2020-01-10 | 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
23–128（106 aa）
|
Mutation：M29W, H124I, R128L | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 D12 DODECANE × 1 MYS PENTADECANE × 6 HEX HEXANE × 1 8K6 Octadecane × 3 D10 DECANE × 1 OCT N-OCTANE × 3 UND UNDECANE × 1 ER0 [(2~{R},3~{S})-2,3,4-tris(oxidanyl)butyl] (5~{R},9~{R},13~{R})-5,9,13,17-tetramethyloctadecanoate × 2 TRD TRIDECANE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM sodium citrate pH5.5, 37% PEG300, 50 mM NaSCN, and 2% 2,5-hexanediol
|
Resolution 1.80 Å R-free 0.207 |
| 6LPK A2AR crystallized in EROCOC17+4, LCP-SFX at 293 K Deposited 2020-01-10 | 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
23–128（106 aa）
|
Mutation：M29W, H124I, R128L | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 D12 DODECANE × 1 MYS PENTADECANE × 6 HEX HEXANE × 1 8K6 Octadecane × 3 D10 DECANE × 1 OCT N-OCTANE × 3 UND UNDECANE × 1 ER0 [(2~{R},3~{S})-2,3,4-tris(oxidanyl)butyl] (5~{R},9~{R},13~{R})-5,9,13,17-tetramethyloctadecanoate × 2 TRD TRIDECANE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM sodium citrate pH5.5, 37% PEG300, 50 mM NaSCN, and 2% 2,5-hexanediol
|
Resolution 1.80 Å R-free 0.209 |
| 6LPL A2AR crystallized in EROCOC17+4, SS-ROX at 100 K Deposited 2020-01-11 | 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
23–128（106 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 D12 DODECANE × 1 MYS PENTADECANE × 6 HEX HEXANE × 1 8K6 Octadecane × 3 D10 DECANE × 1 OCT N-OCTANE × 3 UND UNDECANE × 1 ER0 [(2~{R},3~{S})-2,3,4-tris(oxidanyl)butyl] (5~{R},9~{R},13~{R})-5,9,13,17-tetramethyloctadecanoate × 2 TRD TRIDECANE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM sodium citrate pH5.5, 35-40% PEG400, 50 mM NaSCN, and 2% 2,5-hexanediol
|
Resolution 2.00 Å R-free 0.208 |
| 6LW5 Crystal structure of the human formyl peptide receptor 2 in complex with WKYMVm Deposited 2020-02-07 | 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
23–128（106 aa）
|
Mutation：M1007W, H1102I, R1106L, S211L | CLR CHOLESTEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.1 M Tris, pH 7.5, 35% PEG500 DME, 3% PPG400, 100 mM CH3COOLi
|
Resolution 2.80 Å R-free 0.289 |
| 6M97 Crystal structure of the high-affinity copper transporter Ctr1 Deposited 2018-08-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
|
Not recorded | TBR HEXATANTALUM DODECABROMIDE × 6 ZN ZINC ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；50 mM zinc acetate, 50 mM sodium cacodylate pH 5.9, and 26% PEG 400.
|
Resolution 3.03 Å R-free 0.332 |
| 6M98 Crystal structure of the high-affinity copper transporter Ctr1 in complex with Cu(I) Deposited 2018-08-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
|
Not recorded | CU1 COPPER (I) ION × 6 ZN ZINC ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；50 mM zinc acetate, 50 mM sodium cacodylate pH 5.9, and 28% PEG 400.
|
Resolution 3.21 Å R-free 0.340 |
| 6ME6 XFEL crystal structure of human melatonin receptor MT2 in complex with 2-phenylmelatonin Deposited 2018-09-05 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
|
Mutation：M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P Mutation：M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P | JEY N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide × 2 ZN ZINC ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；N-(2-Acetamido)iminodiacetic acid, PEG 400, ammonium acetate
|
Resolution 2.80 Å R-free 0.249 |
| 6ME7 XFEL crystal structure of human melatonin receptor MT2 (H208A) in complex with 2-phenylmelatonin Deposited 2018-09-05 | 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
23–128（106 aa）
|
Mutation：M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P | JEY N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；N-(2-Acetamido)iminodiacetic acid, PEG 400, ammonium acetate
|
Resolution 3.20 Å R-free 0.250 |
| 6ME7 XFEL crystal structure of human melatonin receptor MT2 (H208A) in complex with 2-phenylmelatonin Deposited 2018-09-05 | 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
23–128（106 aa）
|
Mutation：M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P | JEY N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；N-(2-Acetamido)iminodiacetic acid, PEG 400, ammonium acetate
|
Resolution 3.20 Å R-free 0.250 |
| 6ME8 XFEL crystal structure of human melatonin receptor MT2 (N86D) in complex with 2-phenylmelatonin Deposited 2018-09-05 | 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
23–128（106 aa）
|
Mutation：M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P | JEY N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；N-(2-Acetamido)iminodiacetic acid, PEG 400, ammonium acetate
|
Resolution 3.10 Å R-free 0.262 |
| 6ME8 XFEL crystal structure of human melatonin receptor MT2 (N86D) in complex with 2-phenylmelatonin Deposited 2018-09-05 | 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
23–128（106 aa）
|
Mutation：M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P | JEY N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；N-(2-Acetamido)iminodiacetic acid, PEG 400, ammonium acetate
|
Resolution 3.10 Å R-free 0.262 |
| 6ME9 XFEL crystal structure of human melatonin receptor MT2 in complex with ramelteon Deposited 2018-09-05 | 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
23–128（106 aa）
|
Mutation：M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P | JEV N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；N-(2-Acetamido)iminodiacetic acid, PEG 400, ammonium acetate
|
Resolution 3.30 Å R-free 0.270 |
| 6ME9 XFEL crystal structure of human melatonin receptor MT2 in complex with ramelteon Deposited 2018-09-05 | 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
23–128（106 aa）
|
Mutation：M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P | JEV N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；N-(2-Acetamido)iminodiacetic acid, PEG 400, ammonium acetate
|
Resolution 3.30 Å R-free 0.270 |
| 6MH8 High-viscosity injector-based Pink Beam Serial Crystallography of Micro-crystals at a Synchrotron Radiation Source Deposited 2018-09-17 | 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
23–127（105 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；298 K；sodium citrate pH 5.0, PEG 400, sodium thiocyanate
|
Resolution 4.20 Å R-free 0.288 |
| 6OS0 Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to angiotensin II Deposited 2019-05-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
24–122（99 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7.6；293 K；Protein complex was reconstituted with a 10:1 (w/w) mixture of monoolein and cholesterol. Crystals were grown in 100 mM Tris pH 7.6, 10 mM MgCl2, 25-26% PEG 300
|
Resolution 2.90 Å R-free 0.318 |
| 6OS1 Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to TRV023 Deposited 2019-05-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
24–122（99 aa）
|
Not recorded | OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 CLR CHOLESTEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 8；293 K；Protein complex was reconstituted with a 10:1 (w/w) mixture of monoolein and cholesterol. Crystals were grown in 100 mM Tris pH 8, 50-70 mM MgCl2, 30% PEG 300, 2-4% 1,3-butanediol
|
Resolution 2.79 Å R-free 0.282 |
| 6OS2 Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to TRV026 Deposited 2019-05-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
24–122（99 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 CLR CHOLESTEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 8；293 K；Protein complex was reconstituted with a 10:1 (w/w) mixture of monoolein and cholesterol. Crystals were grown in 100 mM Tris pH 8, 65 mM MgCl2, 26-28% PEG 300, 4.5% 1,3-butanediol
|
Resolution 2.70 Å R-free 0.285 |
| 6OT4 Bimetallic dodecameric cage design 2 (BMC2) from cytochrome cb562 Deposited 2019-05-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：E8H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation：E8H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation：E8H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation：E8H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C | HEC HEME C × 12 HAE ACETOHYDROXAMIC ACID × 24 FE FE (III) ION × 12 ZN ZINC ION × 18 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；Protein solution:
2.2 mM protein with 1.65 mM Fe and 2 mM Zn added 1 hour before crystallisation.
1 ul to 1 ul drops with following mother liquor:
30% PEG400, 0.1 M TrisHCl pH 8.5, 0.2 M NaCl
|
Resolution 1.40 Å R-free 0.191 |
| 6OT7 Bimetallic dodecameric cage design 3 (BMC3) from cytochrome cb562 Deposited 2019-05-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation：D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation：D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation：D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C | HEC HEME C × 12 ZN ZINC ION × 21 FE FE (III) ION × 12 HAE ACETOHYDROXAMIC ACID × 24 1PE PENTAETHYLENE GLYCOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；Protein solution of:
2.2 mM protein with 1.65 mM Fe and 3 mM Zn premixed briefly prior to crystallisation.
Drops were 1ul + 1 ul of protein solution and the following mother liquor:
30% PEG400, 0.1 M HEPES pH 7.5, 0.2 M (NH4)2SO4
|
Resolution 1.85 Å R-free 0.211 |
| 6OT8 Bimetallic hexameric cage design 4 (BMC4) from cytochrome cb562 Deposited 2019-05-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric |
Chain A
23–128（106 aa）
|
Mutation：D2E,D5E,E8H,V16H,Q25E,R34Q,L38Q,Q41W,K42S,K59S,H63S,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C | HEC HEME C × 6 ZN ZINC ION × 18 FE FE (III) ION × 6 HAE ACETOHYDROXAMIC ACID × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；Protein solution of:
2.2 mM protein with 1.05 mM Fe and 3 mM Zn premixed 1 hour prior to crystallisation.
Drops were 1ul + 1 ul of protein solution and the following mother liquor:
30% PEG400, 0.1 M HEPES pH 7.5, 0.2 M MgCl2
|
Resolution 1.50 Å R-free 0.218 |
| 6OT9 Bimetallic dodecameric cage design 1 (BMC1) from cytochrome cb562 Deposited 2019-05-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：E8H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,R98C,Y101C Mutation：E8H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,R98C,Y101C Mutation：E8H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,R98C,Y101C Mutation：E8H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,R98C,Y101C | ZN ZINC ION × 18 HAE ACETOHYDROXAMIC ACID × 12 HEC HEME C × 12 FE FE (III) ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；Protein solution:
2.1 mM protein, 1.05 mM Fe, 2 mM Zn added 1 hour prior to crystallisation.
1 ul + 1ul drops from protein solution and following mother liquor;
22.5% PEG400, 0.1 M HEPES pH 7.5, 0.2 M NaCl
|
Resolution 2.40 Å R-free 0.272 |
| 6OVH Cryo-EM structure of Bimetallic dodecameric cage design 3 (BMC3) from cytochrome cb562 Deposited 2019-05-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
Chain F
23–128（106 aa）
Chain G
23–128（106 aa）
Chain H
23–128（106 aa）
Chain I
23–128（106 aa）
Chain J
23–128（106 aa）
Chain K
23–128（106 aa）
Chain L
23–128（106 aa）
|
Mutation：D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation：D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation：D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation：D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation：D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation：D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation：D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation：D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation：D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation：D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation：D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation：D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C | HEC HEME C × 12 HAE ACETOHYDROXAMIC ACID × 24 ZN ZINC ION × 24 FE FE (III) ION × 8 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.60 Å |
| 6PS7 XFEL A2aR structure by ligand exchange from LUF5843 to ZM241385. Deposited 2019-07-12 | 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
23–128（106 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 9 CLR CHOLESTEROL × 3 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 OLA OLEIC ACID × 13 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；50mM sodium thiocyanate, 100 mM sodium citrate pH 4.8, and 28% PEG 400, 2 mM of target ligand ZM241385
|
Resolution 1.85 Å R-free 0.201 |
| 6RZ4 Crystal structure of cysteinyl leukotriene receptor 1 in complex with pranlukast Deposited 2019-06-12 | 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
23–127（105 aa）
|
Not recorded | KNT pranlukast × 1 NA SODIUM ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 9 OLA OLEIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6；293 K；100 mM sodium citrate pH 6
200-600 mM lithium nitrate
30-38% v/v PEG400
|
Resolution 2.70 Å R-free 0.254 |
| 6RZ5 XFEL crystal structure of the human cysteinyl leukotriene receptor 1 in complex with zafirlukast Deposited 2019-06-12 | 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
23–127（105 aa）
|
Not recorded | ZLK zafirlukast × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 8 OLA OLEIC ACID × 11 1PE PENTAETHYLENE GLYCOL × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7；293 K；75-175 mM sodium phosphate
24-34% v/v PEG400
100 mM HEPES pH 7.0
1 uM zafirlukast
|
Resolution 2.53 Å R-free 0.223 |
| 6RZ5 XFEL crystal structure of the human cysteinyl leukotriene receptor 1 in complex with zafirlukast Deposited 2019-06-12 | 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
23–127（105 aa）
|
Not recorded | ZLK zafirlukast × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 9 OLA OLEIC ACID × 8 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7；293 K；75-175 mM sodium phosphate
24-34% v/v PEG400
100 mM HEPES pH 7.0
1 uM zafirlukast
|
Resolution 2.53 Å R-free 0.223 |
| 6RZ6 Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2570366 (C2221 space group) Deposited 2019-06-12 | 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
23–128（106 aa）
|
Not recorded | KNW (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid × 1 CLR CHOLESTEROL × 1 TLA L(+)-TARTARIC ACID × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 OLA OLEIC ACID × 10 1PE PENTAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 8；293 K；100-200 mM NH4 Tartrate dibasic
28-32% v/v PEG400
100 mM HEPES pH 8.0
|
Resolution 2.43 Å R-free 0.232 |
| 6RZ7 Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2570366 (F222 space group) Deposited 2019-06-12 | 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
23–128（106 aa）
|
Not recorded | KNW (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid × 1 CLR CHOLESTEROL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 OLA OLEIC ACID × 21 PGE TRIETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7；293 K；30 mM NH4 tartrate dibasic
24% PEG400
100 mM HEPES 7.0
|
Resolution 2.43 Å R-free 0.259 |
| 6RZ8 Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2080365 Deposited 2019-06-12 | 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
23–128（106 aa）
|
Not recorded | KNZ (2~{S})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-but yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 10 OLA OLEIC ACID × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 8；293 K；100 mM K Formate
30% v/v PEG400
100 mM TRIS-HCl pH 8.0
|
Resolution 2.70 Å R-free 0.246 |
| 6RZ9 Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2770372 Deposited 2019-06-12 | 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
23–128（106 aa）
|
Not recorded | KO5 (2~{S})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dih ydro-1,4-benzoxazine-2-carboxylic acid × 1 CLR CHOLESTEROL × 1 1PE PENTAETHYLENE GLYCOL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 13 OLA OLEIC ACID × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7；293 K；210mM NH4 tartrate dibasic
29% PEG400
HEPES 7.0
|
Resolution 2.73 Å R-free 0.254 |
| 6S0Q Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from 50,000 diffraction patterns Deposited 2019-06-18 | 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
23–127（105 aa）
|
Mutation：ADORA2A,ADORA2A,ADORA2A | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 OLA OLEIC ACID × 7 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 CLR CHOLESTEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；297 K；0.1M sodium citrate pH 5.0, 0.05M sodium thiocyanate, 28-34% PEG400, 5 mM ZM241385, 2% (v/v) 1,6-hexanedio
|
Resolution 2.65 Å R-free 0.221 |
| 6UR8 CryoEM structure of human alpha4beta2 nicotinic acetylcholine receptor in complex with varenicline Deposited 2019-10-22 | 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 × 5 PDB declaration: pentameric |
Chain A
23–123（101 aa）
Chain D
23–123（101 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 QMR VARENICLINE × 2 BMA beta-D-mannopyranose × 3 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.71 Å |
| 6USF CryoEM structure of human alpha4beta2 nicotinic acetylcholine receptor with varenicline in complex with anti-BRIL synthetic antibody BAK5 Deposited 2019-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 9 PDB declaration: nonameric |
Chain A
23–123（101 aa）
Chain D
23–123（101 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 QMR VARENICLINE × 2 BMA beta-D-mannopyranose × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.87 Å |
| 6WGT Crystal structure of HTR2A with hallucinogenic agonist Deposited 2020-04-06 | 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
23–128（106 aa）
|
Not recorded | 7LD (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 CLR CHOLESTEROL × 2 OLA OLEIC ACID × 2 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7；293.15 K；100 mM Tris (pH7.0)
370-410 mM KPO4-mono
90-120 mM GuHCl
28-34% PEG 400
|
Resolution 3.40 Å R-free 0.305 |
| 6WGT Crystal structure of HTR2A with hallucinogenic agonist Deposited 2020-04-06 | 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
23–128（106 aa）
|
Not recorded | 7LD (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 OLA OLEIC ACID × 1 PO4 PHOSPHATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7；293.15 K；100 mM Tris (pH7.0)
370-410 mM KPO4-mono
90-120 mM GuHCl
28-34% PEG 400
|
Resolution 3.40 Å R-free 0.305 |
| 6WGT Crystal structure of HTR2A with hallucinogenic agonist Deposited 2020-04-06 | 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
23–128（106 aa）
|
Not recorded | 7LD (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 PO4 PHOSPHATE ION × 1 1PE PENTAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7；293.15 K；100 mM Tris (pH7.0)
370-410 mM KPO4-mono
90-120 mM GuHCl
28-34% PEG 400
|
Resolution 3.40 Å R-free 0.305 |
| 6WH4 Crystal structure of HTR2A with inverse agonist Deposited 2020-04-07 | 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
23–128（106 aa）
|
Not recorded | 89F 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine × 1 OLA OLEIC ACID × 2 CLR CHOLESTEROL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7；293.15 K；100 mM Tris (pH7.0)
380 mM potassium phosphate-monobasic
33% PEG 400
100 mM Guanidine HCL
300 mM NDSB-195
|
Resolution 3.40 Å R-free 0.304 |
| 6WH4 Crystal structure of HTR2A with inverse agonist Deposited 2020-04-07 | 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
23–128（106 aa）
|
Not recorded | 89F 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine × 1 OLA OLEIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7；293.15 K；100 mM Tris (pH7.0)
380 mM potassium phosphate-monobasic
33% PEG 400
100 mM Guanidine HCL
300 mM NDSB-195
|
Resolution 3.40 Å R-free 0.304 |
| 6WH4 Crystal structure of HTR2A with inverse agonist Deposited 2020-04-07 | 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
23–128（106 aa）
|
Not recorded | 89F 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine × 1 OLA OLEIC ACID × 1 CLR CHOLESTEROL × 1 PEG DI(HYDROXYETHYL)ETHER × 2 NDS ETHYL DIMETHYL AMMONIO PROPANE SULFONATE × 1 1PE PENTAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7；293.15 K；100 mM Tris (pH7.0)
380 mM potassium phosphate-monobasic
33% PEG 400
100 mM Guanidine HCL
300 mM NDSB-195
|
Resolution 3.40 Å R-free 0.304 |
| 6WHA HTR2A bound to 25-CN-NBOH in complex with a mini-Galpha-q protein, beta/gamma subunits and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM) Deposited 2020-04-07 | 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
23–127（105 aa）
Fragment：cybC (UNP residues 23-127) + linker + HTR2A (UNP residues 66-404)
|
Not recorded | U0G 4-(2-{[(2-hydroxyphenyl)methyl]amino}ethyl)-2,5-dimethoxybenzonitrile × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.36 Å |
| 6WQA 2.0A angstrom A2a adenosine receptor structure using XFEL data collected in helium atmosphere. Deposited 2020-04-28 | 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
23–127（105 aa）
|
Not recorded | NA SODIUM ION × 1 ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 15 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 5 GOL GLYCEROL × 1 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；PEG400, sodium thiocyanate, sodium citrate
|
Resolution 2.00 Å R-free 0.216 |
| 6WW2 Structure of human Frizzled5 by fiducial-assisted cryo-EM Deposited 2020-05-07 | 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 R
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.2
cryo-EM vitrification conditions
Cryogen ETHANE；5s blotting
|
Resolution 3.70 Å |
| 6WYU Crystallographic trimer of metal-free TriCyt2 Deposited 2020-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：Q41K, D54A, K59I, H63V, V69L, G70W, D73H, K77H, R98C, Y101C Mutation：Q41K, D54A, K59I, H63V, V69L, G70W, D73H, K77H, R98C, Y101C Mutation：Q41K, D54A, K59I, H63V, V69L, G70W, D73H, K77H, R98C, Y101C | HEC HEME C × 3 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 3 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；43% MPD, 0.2 M (NH4)2SO4, 0.1 M Tris (pH 8.5)
|
Resolution 1.76 Å R-free 0.191 |
| 6WZ0 Fe-bound structure of an engineered metal-dependent protein trimer, TriCyt2 Deposited 2020-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：Q41K, D54A, K59I, H63V, V69L, G70W, D73H, K77H, R98C, Y101C Mutation：Q41K, D54A, K59I, H63V, V69L, G70W, D73H, K77H, R98C, Y101C Mutation：Q41K, D54A, K59I, H63V, V69L, G70W, D73H, K77H, R98C, Y101C | HEC HEME C × 3 FE2 FE (II) ION × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；25% PEG400, 0.2 M (NH4)2SO4, 0.1 M TRIS (pH 8.5)
|
Resolution 1.70 Å R-free 0.212 |
| 6WZ1 Mn-bound structure of an engineered protein trimer, TriCyt3 Deposited 2020-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：T31K, A35K, Q41K, D54A, K59I, H63V, I67E, V69A, G70W, Q71E, D73H, L76A, K77H, N80K, R98C, Y101C Mutation：T31K, A35K, Q41K, D54A, K59I, H63V, I67E, V69A, G70W, Q71E, D73H, L76A, K77H, N80K, R98C, Y101C Mutation：T31K, A35K, Q41K, D54A, K59I, H63V, I67E, V69A, G70W, Q71E, D73H, L76A, K77H, N80K, R98C, Y101C | HEC HEME C × 3 MN MANGANESE (II) ION × 1 CL CHLORIDE ION × 4 CA CALCIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；30% PEG 400, 0.2 M CaCl2, 0.1 M BIS-TRIS (pH 6.5)
|
Resolution 2.00 Å R-free 0.229 |
| 6WZ2 Co-bound structure of an engineered protein trimer, TriCyt3 Deposited 2020-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：T31K, A35K, Q41K, D54A, K59I, H63V, I67E, V69A, G70W, Q71E, D73H, L76A, K77H, N80K, R98C, Y101C Mutation：T31K, A35K, Q41K, D54A, K59I, H63V, I67E, V69A, G70W, Q71E, D73H, L76A, K77H, N80K, R98C, Y101C Mutation：T31K, A35K, Q41K, D54A, K59I, H63V, I67E, V69A, G70W, Q71E, D73H, L76A, K77H, N80K, R98C, Y101C | HEC HEME C × 3 CO COBALT (II) ION × 1 CL CHLORIDE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；25% PEG1500, 0.2 M MgCl2, 0.1 M HEPES (pH 7.5)
|
Resolution 2.00 Å R-free 0.218 |
| 6WZ3 Cu-bound structure of the engineered protein trimer, TriCyt3 Deposited 2020-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：T31K, A35K, Q41K, D54A, K59I, H63V, I67E, V69A, G70W, Q71E, D73H, L76A, K77H, N80K, R98C, Y101C Mutation：T31K, A35K, Q41K, D54A, K59I, H63V, I67E, V69A, G70W, Q71E, D73H, L76A, K77H, N80K, R98C, Y101C Mutation：T31K, A35K, Q41K, D54A, K59I, H63V, I67E, V69A, G70W, Q71E, D73H, L76A, K77H, N80K, R98C, Y101C | HEC HEME C × 3 CL CHLORIDE ION × 7 CU COPPER (II) ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；298 K；25% PEG1500, 0.2 M MgCl2, 0.1 M BIS-TRIS (pH 5.5)
|
Resolution 1.80 Å R-free 0.236 |
| 6WZ7 Mn-bound structure of a TriCyt3 variant Deposited 2020-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：T31K, A35K, Q41K, D54A, K59I, H63V, I67E, V69A, G70W, Q71E, D73H, L76A, K77H, N80E, E81K, R98C, Y101C Mutation：T31K, A35K, Q41K, D54A, K59I, H63V, I67E, V69A, G70W, Q71E, D73H, L76A, K77H, N80E, E81K, R98C, Y101C Mutation：T31K, A35K, Q41K, D54A, K59I, H63V, I67E, V69A, G70W, Q71E, D73H, L76A, K77H, N80E, E81K, R98C, Y101C | HEC HEME C × 3 MN MANGANESE (II) ION × 1 CL CHLORIDE ION × 5 CA CALCIUM ION × 9 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；45% MPD, 0.2 M calcium chloride, 0.1 M HEPES (pH 7.5)
|
Resolution 2.30 Å R-free 0.219 |
| 6WZA Ni-bound structure of an engineered metal-dependent protein trimer, TriCyt1 Deposited 2020-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：K59H, D66N, G70W, D73H, K77H, R98C, Y101C Mutation：K59H, D66N, G70W, D73H, K77H, R98C, Y101C Mutation：K59H, D66N, G70W, D73H, K77H, R98C, Y101C | HEC HEME C × 3 NI NICKEL (II) ION × 1 NA SODIUM ION × 5 CL CHLORIDE ION × 6 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；22.5% PEG 400, 0.2 M NaCl, 0.1 M HEPES (pH 7.5)
|
Resolution 2.50 Å R-free 0.306 |
| 6WZC Ni-bound structure of an engineered protein trimer, TriCyt3 Deposited 2020-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
|
Mutation：T31K, A35K, Q41K, D54A, K59I, H63V, I67E, V69A, G70W, Q71E, D73H, L76A, K77H, N80K, R98C, Y101C | HEC HEME C × 3 NI NICKEL (II) ION × 6 CA CALCIUM ION × 12 CL CHLORIDE ION × 9 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；25% PEG2000, 0.2 M CaCl2, 0.1 M Bis-Tris (pH 6.5)
|
Resolution 2.19 Å R-free 0.219 |
| 6X7E Co-bound structure of an engineered protein trimer, TriCyt3, with delta isomerism at the hexahistidine coordination site Deposited 2020-05-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：T31K, A35K, Q41K, D54A, K59I, H63V, I67E, V69A, G70W, Q71E, D73H, L76A, K77H, N80K, R98C, Y101C Mutation：T31K, A35K, Q41K, D54A, K59I, H63V, I67E, V69A, G70W, Q71E, D73H, L76A, K77H, N80K, R98C, Y101C Mutation：T31K, A35K, Q41K, D54A, K59I, H63V, I67E, V69A, G70W, Q71E, D73H, L76A, K77H, N80K, R98C, Y101C | HEC HEME C × 3 CO COBALT (II) ION × 1 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；25% PEG1500, 200 mM MgCl2, 100 mM TRIS (8.5)
|
Resolution 2.00 Å R-free 0.213 |
| 6X8X Cu-bound structure of an engineered metal-dependent protein trimer, TriCyt1 Deposited 2020-06-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
|
Mutation：K59H, D66N, G70W, D73H, K77H, R98C, Y101C | HEC HEME C × 3 CU COPPER (II) ION × 3 CA CALCIUM ION × 15 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；25% PEG2000, 200 mM CaCl2, 100 mM TRIS (pH 8.5)
|
Resolution 2.50 Å R-free 0.342 |
| 6ZDR Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 4d Deposited 2020-06-15 | 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
23–127（105 aa）
|
Not recorded | QGE [3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 11 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；PEG 400; Sodium Citrate; Sodium Thiocyanate; 2,5 Hexanediol
|
Resolution 1.92 Å R-free 0.218 |
| 6ZDV Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 5d Deposited 2020-06-15 | 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
23–127（105 aa）
|
Not recorded | QGW [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 OLA OLEIC ACID × 14 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；PEG 400, Sodium Citrate, Sodium Thiocyanate, 2,5 Hexanediol
|
Resolution 2.13 Å R-free 0.224 |
| 7ARO Crystal structure of the non-ribose partial agonist LUF5833 bound to the adenosine A2A receptor Deposited 2020-10-25 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
|
Not recorded | RVZ 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile × 2 OLA OLEIC ACID × 8 CLR CHOLESTEROL × 2 NA SODIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；300 K；29-32% PEG 400, 0.1M tri-sodium Citrate pH = 5.3-5.4, 0.05M Sodium Thiocyanate, 2.5 % 2,5-hexanediol
|
Resolution 3.12 Å R-free 0.255 |
| 7BW0 Active human TGR5 complex with a synthetic agonist 23H Deposited 2020-04-12 | 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 Heteromer；Protein × 5 PDB declaration: pentameric |
Chain R
23–128（106 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.90 Å |
| 7C61 Crystal structure of 5-HT1B-BRIL and SRP2070_Fab complex Deposited 2020-05-21 | 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
23–128（106 aa）
|
Mutation：L138W,M1007W,H1102I,R1106L | ERM Ergotamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；30% PEG400, 0.4M SODIUM THIOCYANATE, 0.1M SODIUM ACETATE PH 5.5
|
Resolution 3.00 Å R-free 0.290 |
| 7C6A Crystal structure of AT2R-BRIL and SRP2070_Fab complex Deposited 2020-05-21 | 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
23–128（106 aa）
|
Mutation：L93V, F133W, M1007W, H1102I, R1106L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.05M POTASSIUM ACETATE, 0.1M MES PH6.5, 26-36% PEG300
|
Resolution 3.40 Å R-free 0.285 |
| 7CMU Dopamine Receptor D3R-Gi-Pramipexole complex Deposited 2020-07-29 | 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 × 5 PDB declaration: pentameric |
Chain R
23–128（106 aa）
|
Mutation：M35W,H130I,R134L | G6L (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 7CMV Dopamine Receptor D3R-Gi-PD128907 complex Deposited 2020-07-29 | 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 × 5 PDB declaration: pentameric |
Chain R
23–128（106 aa）
|
Mutation：M35W,H130I,R134L | G6O (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.70 Å |
| 7DFP Human dopamine D2 receptor in complex with spiperone Deposited 2020-11-09 | 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
23–62（40 aa）
Chain A
88–128（41 aa）
|
Mutation：S121K,L123W,M1007W,R1098I, H1102I, R1106G Mutation：S121K,L123W,M1007W,R1098I, H1102I, R1106G | SIP 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 8；293 K；0.1M Tris-HCl pH 8.0, 0.1M Lithium acetate dihydrate, 30% (V/V) polyethylene glycol 400, 5% (v/v) dimethyl sulfoxide, 0.01M Adenosine triphosphate, 1mM spiperone
|
Resolution 3.10 Å R-free 0.216 |
| 7E2X Apo serotonin 1A (5-HT1A) receptor-Gi protein complex Deposited 2021-02-07 | 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 R
23–128（106 aa）
|
Mutation：M7W,H102I,R106L,L125W | J40 [(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate × 1 CLR CHOLESTEROL × 10 PLM PALMITIC ACID × 3 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 7E2Y Serotonin-bound Serotonin 1A (5-HT1A) receptor-Gi protein complex Deposited 2021-02-07 | 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 R
23–128（106 aa）
|
Mutation：M7W,H102I,R106L,L125W | SRO SEROTONIN × 1 J40 [(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate × 1 CLR CHOLESTEROL × 4 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 7E2Z Aripiprazole-bound serotonin 1A (5-HT1A) receptor-Gi protein complex Deposited 2021-02-07 | 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 R
23–128（106 aa）
|
Mutation：M7W,H102I,R106L,L125W | 9SC 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one × 1 CLR CHOLESTEROL × 3 J40 [(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.10 Å |
| 7E32 Serotonin 1D (5-HT1D) receptor-Gi protein complex Deposited 2021-02-07 | 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 R
23–128（106 aa）
|
Mutation：M7W,H102I,R106L,L127W | SRO SEROTONIN × 1 CLR CHOLESTEROL × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.90 Å |
| 7E33 Serotonin 1E (5-HT1E) receptor-Gi protein complex Deposited 2021-02-07 | 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 R
23–128（106 aa）
|
Mutation：M7W,H102I,R106L,L111W | HVU 3-(1-methylpiperidin-4-yl)-1H-indol-5-ol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.90 Å |
| 7EXD Lasmiditan-bound serotonin 1F (5-HT1F) receptor-Gi protein complex Deposited 2021-05-27 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | 05X 2,4,6-tris(fluoranyl)-N-[6-(1-methylpiperidin-4-yl)carbonylpyridin-2-yl]benzamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 3.40 Å |
| 7EZC Adenosine A2a receptor mutant-I92N Deposited 2021-06-01 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–123（101 aa）
Chain B
23–123（101 aa）
|
Mutation：I92N,M1007W Mutation：I92N,M1007W | UKA 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 8.2；291 K；100 mM Tris pH 8.2, 30% PEG400 and 0.4 M (NH4)2SO4.
|
Resolution 3.80 Å R-free 0.313 |
| 7F61 Crystal structure of human histamine receptor H3R in complex with antagonist PF03654746 Deposited 2021-06-23 | 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 B
23–128（106 aa）
|
Mutation：M7W, H102I, R106L | 1IB N-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide × 1 CLR CHOLESTEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；294 K；100mM sodium cacodylate trihydrate, pH6.4, 90mM sodium citrate, 34% PEG400, 2% Dichloromethane
|
Resolution 2.60 Å R-free 0.285 |
| 7F83 Crystal Structure of a receptor in Complex with inverse agonist Deposited 2021-07-01 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
|
Mutation：T130K,N188Q,M1012W,H1107I,R1111L Mutation：T130K,N188Q,M1012W,H1107I,R1111L | OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 1KQ 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7；293.15 K；100mM HEPES, pH 7.0, 25%-36% PEG300, 80mM - 150mM NH4F
|
Resolution 2.94 Å R-free 0.265 |
| 7IN1 Crystal structure of A2A in complex with TEP for 21h Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.49 Å R-free 0.279 |
| 7IN2 Crystal structure of A2A in complex with 1 mM ZM241385 for 21h Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.43 Å R-free 0.267 |
| 7IN3 Crystal structure of A2A in complex with 5 mM ZM241385 for 21h Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.66 Å R-free 0.262 |
| 7IN4 Crystal structure of A2A in complex with 10 mM ZM241385 for 21h Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.66 Å R-free 0.308 |
| 7IN5 Crystal structure of A2A in complex with TEP for 3h Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.49 Å R-free 0.257 |
| 7IN6 Crystal structure of A2A in complex with 1 mM ZM241385 for 3h Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.52 Å R-free 0.333 |
| 7IN7 Crystal structure of A2A in complex with 5 mM ZM241385 for 3h Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.43 Å R-free 0.271 |
| 7IN8 Crystal structure of A2A in complex with 10 mM ZM241385 for 3h Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.52 Å R-free 0.300 |
| 7IN9 Crystal structure of A2A in complex with Fi16 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COM (3M)-3-(2-methyl-1,3-thiazol-4-yl)pyridine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.54 Å R-free 0.227 |
| 7INA Crystal structure of A2A in complex with F2 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CON 2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide × 1 TEP THEOPHYLLINE × 1 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.15 Å R-free 0.284 |
| 7INB Crystal structure of A2A in complex with F4 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 8ZX 4-methoxybenzamide × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.10 Å R-free 0.266 |
| 7INC Crystal structure of A2A in complex with F7 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COP (1R)-1-(1H-1,3-benzimidazol-2-yl)ethan-1-ol × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.18 Å R-free 0.245 |
| 7IND Crystal structure of A2A in complex with F12 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COO 4-fluorobenzene-1-carbothioamide × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.67 Å R-free 0.258 |
| 7INE Crystal structure of A2A in complex with F35 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 VN9 3,4-dihydro-1~{H}-quinolin-2-one × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.28 Å R-free 0.257 |
| 7INF Crystal structure of A2A in complex with F44 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COQ 2,4-difluorobenzene-1-carbothioamide × 1 TEP THEOPHYLLINE × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.26 Å R-free 0.247 |
| 7ING Crystal structure of A2A in complex with F99 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 ES2 6-chloro-1,3-dihydro-2H-indol-2-one × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.15 Å R-free 0.238 |
| 7INH Crystal structure of A2A in complex with F132 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COR 6-bromo-2-methyl-4H-3,1-benzoxazin-4-one × 1 TEP THEOPHYLLINE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.30 Å R-free 0.282 |
| 7INI Crystal structure of A2A in complex with F135 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COV 5~{H}-pyrido[2,1-b]quinazolin-11-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.57 Å R-free 0.259 |
| 7INJ Crystal structure of A2A in complex with F148 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COW (4-chlorophenyl)[2-(methylsulfanyl)-1H-imidazol-1-yl]methanone × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.10 Å R-free 0.271 |
| 7INK Crystal structure of A2A in complex with F163 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COX methyl 1H-indole-6-carboxylate × 1 TEP THEOPHYLLINE × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.19 Å R-free 0.248 |
| 7INL Crystal structure of A2A in complex with F173 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COY 5-methyl-1,2-oxazole-3-carbothioamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.20 Å R-free 0.250 |
| 7INM Crystal structure of A2A in complex with F178 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 U4D 5-(trifluoromethyl)pyridin-2-one × 1 TEP THEOPHYLLINE × 1 DMS DIMETHYL SULFOXIDE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.19 Å R-free 0.241 |
| 7INN Crystal structure of A2A in complex with F210 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COZ N-(4-chlorophenyl)thiourea × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.32 Å R-free 0.234 |
| 7INO Crystal structure of A2A in complex with F223 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO0 N-[2-amino-4-(trifluoromethyl)phenyl]acetamide × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.08 Å R-free 0.228 |
| 7INP Crystal structure of A2A in complex with F235 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 YPN 2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.21 Å R-free 0.242 |
| 7INQ Crystal structure of A2A in complex with F242 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 2O8 4-[(trifluoromethyl)sulfanyl]benzamide × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.19 Å R-free 0.242 |
| 7INR Crystal structure of A2A in complex with F273 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 LR5 4-(trifluoromethyl)benzamide × 1 TEP THEOPHYLLINE × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.13 Å R-free 0.234 |
| 7INT Crystal structure of A2A in complex with F293 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO1 2-(methylsulfanyl)-1H-1,3-benzimidazole × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.25 Å R-free 0.253 |
| 7INU Crystal structure of A2A in complex with F336 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO2 (2S)-2-methyl-6-(trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.46 Å R-free 0.279 |
| 7INV Crystal structure of A2A in complex with F379 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 Y25 5-chloropyridin-3-ol × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.57 Å R-free 0.246 |
| 7INW Crystal structure of A2A in complex with F428 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1BL1 N-[4-(trifluoromethyl)phenyl]acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.59 Å R-free 0.244 |
| 7INX Crystal structure of A2A in complex with FU2-57 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO3 (2S)-3-{methyl[5-(trifluoromethyl)pyridin-2-yl]amino}propane-1,2-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.31 Å R-free 0.246 |
| 7INY Crystal structure of A2A in complex with FU2-59 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CS6 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}ethan-1-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.36 Å R-free 0.229 |
| 7INZ Crystal structure of A2A in complex with FU4-40 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO5 4-(4-methoxyphenyl)-2H-1lambda~4~,3-thiazol-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.41 Å R-free 0.239 |
| 7IO0 Crystal structure of A2A in complex with FU4-54 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO6 6-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.05 Å R-free 0.240 |
| 7IO1 Crystal structure of A2A in complex with FU7-1 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO7 6-methoxy-1H-indole-2-carboxylic acid × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.25 Å R-free 0.243 |
| 7IO2 Crystal structure of A2A in complex with FU7-15 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO8 2-(1H-1,3-benzimidazol-2-yl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.96 Å R-free 0.242 |
| 7IO3 Crystal structure of A2A in complex with FU7-29 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO9 (6-bromo-1H-indol-2-yl)methanol × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.22 Å R-free 0.246 |
| 7IO4 Crystal structure of A2A in complex with FU12-19 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1IGL (4R)-4-phenyl-1,3-oxazolidin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.10 Å R-free 0.244 |
| 7IO5 Crystal structure of A2A in complex with FU12-45 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPA 4-chloro-N-hydroxybenzamide × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.84 Å R-free 0.237 |
| 7IO6 Crystal structure of A2A in complex with FU12-86 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPB 2-phenyl-1H-pyrrolo[2,3-b]pyridine × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.36 Å R-free 0.236 |
| 7IO7 Crystal structure of A2A in complex with FU18-60 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPC 3-(3-hydroxypropyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.23 Å R-free 0.243 |
| 7IO8 Crystal structure of A2A in complex with FU18-82 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPD 2-{[(R)-methanesulfinyl]methyl}-1H-1,3-benzimidazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.27 Å R-free 0.247 |
| 7IO9 Crystal structure of A2A in complex with FU35-2 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPE (2R)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.91 Å R-free 0.256 |
| 7IOA Crystal structure of A2A in complex with FU35-5 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPF N-phenyl-1H-tetrazol-5-amine × 1 PEG DI(HYDROXYETHYL)ETHER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.10 Å R-free 0.236 |
| 7IOB Crystal structure of A2A in complex with FU35-42 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPH N~5~-phenyl-1,2,4-thiadiazole-3,5-diamine × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.11 Å R-free 0.237 |
| 7IOC Crystal structure of A2A in complex with FU18-82 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPI N-phenyl-1,3,4-thiadiazol-2-amine × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.07 Å R-free 0.256 |
| 7IOD Crystal structure of A2A in complex with FU35-78 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPJ (3-anilino-1,2,4-oxadiazol-5-yl)methanol × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.40 Å R-free 0.241 |
| 7IOE Crystal structure of A2A in complex with FU44-18 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPK 4-chloro-N-(2-hydroxyethoxy)benzamide × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.08 Å R-free 0.225 |
| 7IOF Crystal structure of A2A in complex with FU99-31 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPL 5-chloro-2-{[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]sulfanyl}-1H-1,3-benzimidazole × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.90 Å R-free 0.244 |
| 7IOG Crystal structure of A2A in complex with FU99-89 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPM 2-[(5-chloro-1H-1,3-benzimidazol-2-yl)sulfanyl]acetamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.98 Å R-free 0.236 |
| 7IOH Crystal structure of A2A in complex with FU99-91 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPN 4-[(1H-1,3-benzimidazol-2-yl)sulfanyl]butanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.07 Å R-free 0.238 |
| 7IOI Crystal structure of A2A in complex with FU101-88 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPO N-(3-fluoro-4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.04 Å R-free 0.235 |
| 7IOJ Crystal structure of A2A in complex with FU113-13 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPP N-[(furan-2-yl)methyl]thiophene-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.26 Å R-free 0.238 |
| 7IOK Crystal structure of A2A in complex with FU113-99 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPQ 5-fluoro-N-[(1H-pyrazol-3-yl)methyl]thiophene-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.30 Å R-free 0.242 |
| 7IOL Crystal structure of A2A in complex with FU132-3 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPR N-(4-bromophenyl)-1H-imidazole-4-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.81 Å R-free 0.241 |
| 7IOM Crystal structure of A2A in complex with FU18-82 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPS 2-(4-bromophenyl)-1lambda~6~,2-thiazinane-1,1-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.10 Å R-free 0.281 |
| 7ION Crystal structure of A2A in complex with FU132-90 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPT ({2-oxo-2-[4-(trifluoromethyl)anilino]ethyl}sulfanyl)acetic acid × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.14 Å R-free 0.244 |
| 7IOO Crystal structure of A2A in complex with FU132,428-27 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPU 5-bromo-2-carbamamidobenzoic acid × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.01 Å R-free 0.236 |
| 7IOP Crystal structure of A2A in complex with FU163-33 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPV methyl 6-bromo-1H-indole-2-carboxylate × 1 DMS DIMETHYL SULFOXIDE × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.92 Å R-free 0.230 |
| 7IOQ Crystal structure of A2A in complex with FU163-51 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPW N-[2-(1H-imidazol-2-yl)ethyl]-6-(trifluoromethyl)-1H-indole-2-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.26 Å R-free 0.233 |
| 7IOR Crystal structure of A2A in complex with FU163-53 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPX 3-hydroxypropyl 6-(trifluoromethyl)-1H-indole-2-carboxylate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.89 Å R-free 0.233 |
| 7IOS Crystal structure of A2A in complex with FU163-58 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPY 3-[2-(1H-imidazol-4-yl)ethyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.38 Å R-free 0.240 |
| 7IOT Crystal structure of A2A in complex with FU163-67 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPZ 6-bromo-1H-indole-2-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.31 Å R-free 0.245 |
| 7IOU Crystal structure of A2A in complex with FU163-75 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP0 N-(2-amino-2-oxoethyl)-6-chloro-1H-indole-2-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.17 Å R-free 0.234 |
| 7IOV Crystal structure of A2A in complex with FU163-104 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP1 7-bromo-3-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.30 Å R-free 0.236 |
| 7IOW Crystal structure of A2A in complex with FU163-106 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP2 N-{2-[(furan-2-carbonyl)amino]ethyl}-6-(propan-2-yl)-1H-indole-2-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.17 Å R-free 0.225 |
| 7IOX Crystal structure of A2A in complex with FU163-109 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP3 [(3S)-3-(1H-1,3-benzimidazol-1-yl)pyrrolidin-1-yl](6-methoxy-1H-indol-2-yl)methanone × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.15 Å R-free 0.250 |
| 7IOY Crystal structure of A2A in complex with FU210-12 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP4 N-(4-fluorophenyl)-N'-{2-[3-(pyridin-2-yl)-1H-pyrazol-1-yl]ethyl}urea × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.00 Å R-free 0.244 |
| 7IOZ Crystal structure of A2A in complex with FU223-7 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP5 5-chloro-1,3-benzothiazol-2(3H)-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.88 Å R-free 0.242 |
| 7IP0 Crystal structure of A2A in complex with FU223-43 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP6 methyl (3-methylphenyl)carbamate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.99 Å R-free 0.259 |
| 7IP1 Crystal structure of A2A in complex with FU235-66 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP7 (2S)-3-[(5-chloropyridin-2-yl)sulfanyl]propane-1,2-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.29 Å R-free 0.243 |
| 7IP2 Crystal structure of A2A in complex with FU242-98 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP8 N-[4-(trifluoromethoxy)phenyl]urea × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.13 Å R-free 0.232 |
| 7IP3 Crystal structure of A2A in complex with FU273-23 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP9 N-[2-(methanesulfonamido)ethyl]-4-(trifluoromethyl)benzamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.11 Å R-free 0.238 |
| 7IP4 Crystal structure of A2A in complex with FU273-77 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQA 3-[(4-bromophenyl)methanesulfonyl]propan-1-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.04 Å R-free 0.222 |
| 7IP5 Crystal structure of A2A in complex with FU293-69 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQB N-(2-hydroxyethyl)-1H-indole-2-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.95 Å R-free 0.239 |
| 7IP6 Crystal structure of A2A in complex with FU293-80 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 6N4 2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.07 Å R-free 0.223 |
| 7IP7 Crystal structure of A2A in complex with FU293-87 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQC 1-(1H-1,3-benzimidazol-2-yl)ethan-1-one × 1 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.32 Å R-free 0.238 |
| 7IP8 Crystal structure of A2A in complex with FU300-24 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQD 3-hydroxy-N-[(1H-pyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.28 Å R-free 0.252 |
| 7IP9 Crystal structure of A2A in complex with FU336-22 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQE N-{[(2S)-3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}glycine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.10 Å R-free 0.238 |
| 7IPA Crystal structure of A2A in complex with FU336-32 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQF 1-{[(2S)-6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}azetidine-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.32 Å R-free 0.250 |
| 7IPB Crystal structure of A2A in complex with FU336-34 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQG (2S)-3-{2-[(2S)-6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamido}-2-hydroxy-2-methylpropanoic acid × 1 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.09 Å R-free 0.250 |
| 7IPC Crystal structure of A2A in complex with FU336-61 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQH 2-[(2S)-6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-[(2S)-2,3-dihydroxypropyl]acetamide × 1 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.87 Å R-free 0.226 |
| 7IPD Crystal structure of A2A in complex with FU379-101 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQI 7-chloroquinolin-2(1H)-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.19 Å R-free 0.240 |
| 7IPE Crystal structure of A2A in complex with FU428-8 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQJ (3R)-3-(4-bromophenyl)-4-[(5S)-2-oxo-2,5-dihydro-1,3-oxazole-5-carbonyl]piperazin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.84 Å R-free 0.245 |
| 7IPF Crystal structure of A2A in complex with FU428-16 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQK N-(4-ethylphenyl)-2-[(6-methyl-2-oxo-2,5-dihydropyrimidin-4-yl)sulfanyl]acetamide × 1 DMS DIMETHYL SULFOXIDE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.90 Å R-free 0.240 |
| 7IPG Crystal structure of A2A in complex with FU428-36 Deposited 2025-08-21 | 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
23–123（101 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CS8 (3S)-4-[(2R)-2-hydroxybutanoyl]-3-[4-(trifluoromethyl)phenyl]piperazin-2-one × 1 A1CQL (3R)-4-[(2R)-2-hydroxybutanoyl]-3-[4-(trifluoromethyl)phenyl]piperazin-2-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.06 Å R-free 0.249 |
| 7JNI Crystal structure of the angiotensin II type 2 receptoror (AT2R) in complex with EMA401 Deposited 2020-08-04 | 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
23–128（106 aa）
|
Mutation：M29W,H124I,R128L in cyt b562 Non-standard monomer：Yes (specific site not provided by mmCIF) | VFD Olodanrigan × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 OLA OLEIC ACID × 3 FMT FORMIC ACID × 1 HEZ HEXANE-1,6-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；Tris-HCl pH 8.0,
Potassium Formate,
PEG400, and 1,6-hexanediol
|
Resolution 3.00 Å R-free 0.273 |
| 7JNI Crystal structure of the angiotensin II type 2 receptoror (AT2R) in complex with EMA401 Deposited 2020-08-04 | 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
23–128（106 aa）
|
Mutation：M29W,H124I,R128L in cyt b562 Non-standard monomer：Yes (specific site not provided by mmCIF) | VFD Olodanrigan × 1 OLA OLEIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；Tris-HCl pH 8.0,
Potassium Formate,
PEG400, and 1,6-hexanediol
|
Resolution 3.00 Å R-free 0.273 |
| 7JVR Cryo-EM structure of Bromocriptine-bound dopamine receptor 2 in complex with Gi protein Deposited 2020-08-22 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | 08Y bromoergocryptine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.2
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.80 Å |
| 7KOO Alpha-7 nicotinic acetylcholine receptor bound to alpha-bungarotoxin in a resting state Deposited 2020-11-09 | 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 Heteromer；Protein × 10 PDB declaration: decameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 CA CALCIUM ION × 5 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 7KOQ Alpha-7 nicotinic acetylcholine receptor bound to epibatidine in a desensitized state Deposited 2020-11-09 | 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 Homooligomer；Protein × 5 PDB declaration: pentameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 10 EPJ EPIBATIDINE × 5 CA CALCIUM ION × 5 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.60 Å |
| 7KOX Alpha-7 nicotinic acetylcholine receptor bound to epibatidine and PNU-120596 in the activated state Deposited 2020-11-10 | 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 Homooligomer；Protein × 5 PDB declaration: pentameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 10 EPJ EPIBATIDINE × 5 CA CALCIUM ION × 5 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.70 Å |
| 7LR5 Ni-bound crystal structure of the engineered cyt cb562 variant, DiCyt2, crystallized in the presence of Ni(II) (M1) and Cu(II) (M2) Deposited 2021-02-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：D60H, I67H, Q71H, T97H, A100H, K104H Mutation：D60H, I67H, Q71H, T97H, A100H, K104H | HEC HEME C × 2 NI NICKEL (II) ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；PEG1500 25%, pH 8 EPPS 100 mM, No salt,
|
Resolution 1.70 Å R-free 0.230 |
| 7LRA Ni-bound crystal structure of the engineered cyt cb562 variant, DiCyt2, crystallized in the presence of Cu(II) (M1) and Ni(II) (M2) 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 homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：D60H, I67H, Q71H, T97H, A100H, K104H Mutation：D60H, I67H, Q71H, T97H, A100H, K104H | HEC HEME C × 2 NI NICKEL (II) ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.4；293 K；PEG1500 25%, Ammonium acetate 200 mM, pH 8.4 EPPS 100 mM
|
Resolution 1.70 Å R-free 0.214 |
| 7LRB Ni-bound crystal structure of the engineered cyt cb562 variant, DiCyt2, crystallized in the presence of Ni(II) (M1) and Cu(II) (M2) 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 homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
|
Mutation：D60H, I67H, Q71H, T97H, A100H, K104H Mutation：D60H, I67H, Q71H, T97H, A100H, K104H | HEC HEME C × 2 CO COBALT (II) ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；PEG1500 25%, Ammonium acetate 160 mM, pH 8.4 EPPS 100 mM
|
Resolution 1.78 Å R-free 0.211 |
| 7LRR Co-bound crystal structure of the engineered cyt cb562 variant, DiCyt2, crystallized in the presence of Cu(II) (M1) and Co(II) (M2) Deposited 2021-02-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
|
Mutation：D60H, I67H, Q71H, T96C, T97H, A100H, K104H Mutation：D60H, I67H, Q71H, T96C, T97H, A100H, K104H | HEC HEME C × 2 CO COBALT (II) ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；PEG1500 25%, NaCl 200 mM, pH 8 EPPS 100 mM
|
Resolution 1.89 Å R-free 0.229 |
| 7LRV Ni-bound crystal structure of the engineered cyt cb562 variant, DiCyt2, crystallized in the presence of Ni(II) Deposited 2021-02-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：D60H, I67H, Q71H, T96C, T97H, A100H, K104H Mutation：D60H, I67H, Q71H, T96C, T97H, A100H, K104H | HEC HEME C × 2 NI NICKEL (II) ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；PEG1500 25%, pH 8 EPPS 100 mM
|
Resolution 1.40 Å R-free 0.216 |
| 7LSJ Cu-bound crystal structure of the engineered cyt cb562 variant, DiCyt2 - H63A, crystallized in the presence of Cu(II) Deposited 2021-02-18 | 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
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：D60H, H63A, I67H, Q71H, T96C, T97H, A100H, K104H Mutation：D60H, H63A, I67H, Q71H, T96C, T97H, A100H, K104H | HEC HEME C × 2 CA CALCIUM ION × 5 CU COPPER (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；PEG1500 24%, CaCl2 200 mM, pH 8 EPPS 100 mM
|
Resolution 1.26 Å R-free 0.192 |
| 7LSL Cu-bound crystal structure of the engineered cyt cb562 variant, DiCyt2 - H63A, crystallized in the presence of Ni(II) Deposited 2021-02-18 | 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
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：D60H, H63A, I67H, Q71H, T96C, T97H, A100H, K104H Mutation：D60H, H63A, I67H, Q71H, T96C, T97H, A100H, K104H | HEC HEME C × 2 NI NICKEL (II) ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；PEG1500 25%, NH4Ac 200 mM, pH 7 MOPS 100 mM
|
Resolution 1.64 Å R-free 0.244 |
| 7LSN Ni-bound crystal structure of the engineered cyt cb562 variant, DiCyt2 - H63A, crystallized in the presence of Ni(II) Deposited 2021-02-18 | 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
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：D60H, H63A, I67H, Q71H, T96C, T97H, A100H, K104H Mutation：D60H, H63A, I67H, Q71H, T96C, T97H, A100H, K104H | HEC HEME C × 2 NI NICKEL (II) ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；PEG1500 25%, (NH4)2SO4 120 mM, pH 8 EPPS 100 mM
|
Resolution 1.52 Å R-free 0.236 |
| 7LV1 Cu-bound crystal structure of the engineered cyt cb562 variant, DiCyt2, crystallized in the presence of Cu(II) Deposited 2021-02-23 | 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
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：D60H, I67H, Q71H, T96C, T97H, A100H, K104H Mutation：D60H, I67H, Q71H, T96C, T97H, A100H, K104H | HEC HEME C × 2 CA CALCIUM ION × 4 CU COPPER (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；PEG1500 25%, CaCl2 200 mM, pH 6 MES 100 mM
|
Resolution 1.91 Å R-free 0.237 |
| 7LV4 Cu-bound crystal structure of the engineered cyt cb562 variant, DiCyt2 - H97A, crystallized in the presence of Cu(II) Deposited 2021-02-23 | 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
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：D60H, I67H, Q71H, T96C, T97A, A100H, K104H Mutation：D60H, I67H, Q71H, T96C, T97A, A100H, K104H | HEC HEME C × 2 CA CALCIUM ION × 3 CU COPPER (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；PEG1500 25%, CaCl2 200 mM, pH 7 MOPS 100 mM
|
Resolution 1.99 Å R-free 0.306 |
| 7MK4 Co-bound crystal structure of the engineered cyt cb562 variant, DiCyt2 Deposited 2021-04-21 | 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
23–128（106 aa）
Chain B
23–128（106 aa）
|
Not recorded | HEC HEME C × 2 CO COBALT (II) ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.6；298 K；PEG1500 25%, NaCl 140 mM, pH 6.6 MES 100 mM
|
Resolution 1.27 Å R-free 0.213 |
| 7MYZ Structure of the full length 5-TM receptor CD47 bound to Fab B6H12 Deposited 2021-05-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
23–127（105 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6；293 K；100mM sodium citrate pH 6.0, 450mM ammonium acetate, 32% PEG400
|
Resolution 3.40 Å R-free 0.277 |
| 7MYZ Structure of the full length 5-TM receptor CD47 bound to Fab B6H12 Deposited 2021-05-22 | 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 D
23–127（105 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6；293 K；100mM sodium citrate pH 6.0, 450mM ammonium acetate, 32% PEG400
|
Resolution 3.40 Å R-free 0.277 |
| 7N4F Ni-bound crystal structure of the engineered cyt cb562 variant, AB2-H100A, crystallized in the presence of Ni(II) Deposited 2021-06-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：K59W, D60H, I67H, Q71H, T96C, T97H, R98C, Y101C, K104H Mutation：K59W, D60H, I67H, Q71H, T96C, T97H, R98C, Y101C, K104H | HEC HEME C × 2 NI NICKEL (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；PEG1500 25%, MgCl2 200 mM, pH 7 MOPS 100 mM
|
Resolution 1.80 Å R-free 0.254 |
| 7N4G Co-bound crystal structure of the engineered cyt cb562 variant, AB2-H100A, crystallized in the presence of Co(II) Deposited 2021-06-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：K59W, D60H, I67H, Q71H, T96C, T97H, R98C, Y101C, K104H Mutation：K59W, D60H, I67H, Q71H, T96C, T97H, R98C, Y101C, K104H | HEC HEME C × 2 CO COBALT (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；PEG1500 25%, MgCl2 200 mM, pH 8 EPPS 100 mM
|
Resolution 1.93 Å R-free 0.325 |
| 7PP1 Crystal structure of the P2Y12 receptor in complex with the inverse agonist selatogrel. Deposited 2021-09-13 | 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 AAA
23–128（106 aa）
|
Not recorded | 7Y5 Selatogrel × 1 CLR CHOLESTEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；298 K；0.1 M ammonium formate, 0.1 M sodium cacdylate, pH 6.0-6.5, 25-35% PEG400
|
Resolution 2.78 Å R-free 0.286 |
| 7PX4 Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2113 Deposited 2021-10-07 | 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
23–128（106 aa）
|
Mutation：S91K | CLR CHOLESTEROL × 3 8E2 Preladenant conjugate PSB-2113 × 1 OLA OLEIC ACID × 26 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 PEG DI(HYDROXYETHYL)ETHER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；24% (v/v) PEG-400 (polyethylene glycol 400, average molecular weight 400), 10-30 mM sodium thiocyanate, 100 mM sodium citrate pH 5.2, and 2% (v/v) 2,5-hexanediol
|
Resolution 2.25 Å R-free 0.240 |
| 7PYR Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2115 Deposited 2021-10-11 | 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
23–128（106 aa）
|
Mutation：S91K | CLR CHOLESTEROL × 3 8IM 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]pentyl]ethanamide × 1 OLA OLEIC ACID × 25 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 PEG DI(HYDROXYETHYL)ETHER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；24% (v/v) PEG-400 (polyethylene glycol 400, average molecular weight 400), 10-30 mM sodium thiocyanate, 100 mM sodium citrate pH 5.2, and 2% (v/v) 2,5-hexanediol
|
Resolution 2.60 Å R-free 0.252 |
| 7RM5 MicroED structure of the human adenosine receptor at 2.8A Deposited 2021-07-26 | 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
23–128（106 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 4 NA SODIUM ION × 1 |
ELECTRON CRYSTALLOGRAPHY
cryo-EM buffer
pH 5；25-28% (v/v) PEG 400, 0.04-0.06M sodium thiocyanate, 2% (v/v) 2,5-hexanediol, 100mM sodium citrate, pH 5.0, Lipid Cubic Phase (LCP), temperature 293K
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.79 Å R-free 0.288 |
| 7RWU Crystal structure of Ni-bound RIDC1 variant in the presence of reductant Deposited 2021-08-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
|
Mutation：R56A, L60A, Q63W, K64S, K81H, D88W, V91I, D95H, D96A, K99H, T118C, R120C, Y123C | NI NICKEL (II) ION × 9 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 3 HEC HEME C × 3 CL CHLORIDE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；45% MPD, 0.1 M Tris, 0.2 M MgCl2
|
Resolution 1.80 Å R-free 0.189 |
| 7RWV Crystal structure of a metal-free RIDC1 variant Deposited 2021-08-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：R56A, L60A, Q63W, K64S, K81H, D88W, V91I, D95H, D96A, K99H, T118C, R120C, Y123C Mutation：R56A, L60A, Q63W, K64S, K81H, D88W, V91I, D95H, D96A, K99H, T118C, R120C, Y123C Mutation：R56A, L60A, Q63W, K64S, K81H, D88W, V91I, D95H, D96A, K99H, T118C, R120C, Y123C Mutation：R56A, L60A, Q63W, K64S, K81H, D88W, V91I, D95H, D96A, K99H, T118C, R120C, Y123C | HEC HEME C × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；30% PEG400, 0.1 M HEPES, 0.2 M MgCl2
|
Resolution 2.20 Å R-free 0.252 |
| 7RWW Crystal structure of a Zn-bound RIDC1 variant Deposited 2021-08-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：R56A, L60A, Q63W, K64S, K81H, D88W, V91I, D95H, D96A, K99H, T118C, R120C, Y123C Mutation：R56A, L60A, Q63W, K64S, K81H, D88W, V91I, D95H, D96A, K99H, T118C, R120C, Y123C Mutation：R56A, L60A, Q63W, K64S, K81H, D88W, V91I, D95H, D96A, K99H, T118C, R120C, Y123C Mutation：R56A, L60A, Q63W, K64S, K81H, D88W, V91I, D95H, D96A, K99H, T118C, R120C, Y123C | ZN ZINC ION × 5 HEC HEME C × 4 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 3 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；45% MPD, 0.1 M HEPES, 0.2 M MgCl2
|
Resolution 1.70 Å R-free 0.208 |
| 7RWX Crystal structure of a Zn-bound RIDC1 variant in the presence of reductant Deposited 2021-08-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
|
Mutation：R56A, L60A, Q63W, K64S, K81H, D88W, V91I, D95H, D96A, K99H, T118C, R120C, Y123C Mutation：R56A, L60A, Q63W, K64S, K81H, D88W, V91I, D95H, D96A, K99H, T118C, R120C, Y123C | ZN ZINC ION × 4 CA CALCIUM ION × 4 HEC HEME C × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；30% PEG400, 0.1 M HEPES, 0.2 M CaCl2
|
Resolution 1.60 Å R-free 0.290 |
| 7RWY Crystal structure of a Fe-bound RIDC1 variant in the presence of reductant Deposited 2021-08-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
|
Mutation：R56A, L60A, Q63W, K64S, K81H, D88W, V91I, D95H, D96A, K99H, T118C, R120C, Y123C Mutation：R56A, L60A, Q63W, K64S, K81H, D88W, V91I, D95H, D96A, K99H, T118C, R120C, Y123C Mutation：R56A, L60A, Q63W, K64S, K81H, D88W, V91I, D95H, D96A, K99H, T118C, R120C, Y123C | HEC HEME C × 3 1PE PENTAETHYLENE GLYCOL × 1 FE FE (III) ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；40% PPG, 0.1 M Bis-Tris
|
Resolution 2.20 Å R-free 0.259 |
| 7RWY Crystal structure of a Fe-bound RIDC1 variant in the presence of reductant Deposited 2021-08-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain F
23–128（106 aa）
|
Mutation：R56A, L60A, Q63W, K64S, K81H, D88W, V91I, D95H, D96A, K99H, T118C, R120C, Y123C Mutation：R56A, L60A, Q63W, K64S, K81H, D88W, V91I, D95H, D96A, K99H, T118C, R120C, Y123C Mutation：R56A, L60A, Q63W, K64S, K81H, D88W, V91I, D95H, D96A, K99H, T118C, R120C, Y123C | HEC HEME C × 3 1PE PENTAETHYLENE GLYCOL × 1 FE FE (III) ION × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；40% PPG, 0.1 M Bis-Tris
|
Resolution 2.20 Å R-free 0.259 |
| 7S8M CryoEM structure of Gi-coupled MRGPRX2 with peptide agonist Cortistatin-14 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 × 6 PDB declaration: hexameric |
Chain R
23–128（106 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 2.54 Å |
| 7S8O CryoEM structure of Gi-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573 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 × 5 PDB declaration: pentameric |
Chain R
23–128（106 aa）
|
Not recorded | 8IU (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 2.58 Å |
| 7S8P CryoEM structure of Gq-coupled MRGPRX4 with small molecule agonist MS47134 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 × 5 PDB declaration: pentameric |
Chain R
23–128（106 aa）
|
Not recorded | 8IX N-[(1r,3R,5S,7R)-3,5-dimethyltricyclo[3.3.1.1~3,7~]decane-1-carbonyl]-D-phenylalanine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 2.60 Å |
| 7SBF PZM21 bound Mu Opioid Receptor-Gi Protein Complex Deposited 2021-09-24 | 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 R
23–127（105 aa）
|
Not recorded | 8QY N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-N'-[(2S)-1-(thiophen-3-yl)propan-2-yl]urea × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.90 Å |
| 7SU2 Crystal structure of a Co-bound RIDC1 variant Deposited 2021-11-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain G
23–128（106 aa）
|
Mutation：A56, A60, W63, S64, H81, W88, I91, H95, A96, H99, C118, C120, C123 Mutation：A56, A60, W63, S64, H81, W88, I91, H95, A96, H99, C118, C120, C123 Mutation：A56, A60, W63, S64, H81, W88, I91, H95, A96, H99, C118, C120, C123 Mutation：A56, A60, W63, S64, H81, W88, I91, H95, A96, H99, C118, C120, C123 | HEC HEME C × 4 CO COBALT (II) ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；30% PEG400, 200 mM NaCl, 100 mM HEPES (7.5)
|
Resolution 2.00 Å R-free 0.232 |
| 7T2G CryoEM structure of mu-opioid receptor - Gi protein complex bound to mitragynine pseudoindoxyl (MP) Deposited 2021-12-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain R
23–127（105 aa）
|
Not recorded | EIG Mitragynine pseudoindoxyl × 1 CLR CHOLESTEROL × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.50 Å |
| 7T32 CryoEM structure of the adenosine 2A receptor-BRIL/Anti BRIL Fab complex with ZM241385 Deposited 2021-12-06 | 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
23–128（106 aa）
|
Mutation：YES | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen OTHER
|
Resolution 3.40 Å |
| 7TEP Crystal structure of a Cu-bound cytochrome cb562 variant in the presence of reductant Deposited 2022-01-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, D74A, K77H, T96C, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, D74A, K77H, T96C, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, D74A, K77H, T96C, R98C, Y101C Mutation：R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, D74A, K77H, T96C, R98C, Y101C | HEC HEME C × 4 CU COPPER (II) ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；25% PEG1500, 0.1 M Bis-Tris, 0.2 M ammonium acetate
|
Resolution 2.70 Å R-free 0.339 |
| 7TX6 Cryo-EM structure of the human reduced folate carrier in complex with methotrexate Deposited 2022-02-07 | 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
25–127（103 aa）
|
Mutation：UNP residues 215-241 replaced with engineered epitope | MTX METHOTREXATE × 1 AJP Digitonin × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.30 Å |
| 7TX7 Cryo-EM structure of the human reduced folate carrier Deposited 2022-02-07 | 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
25–127（103 aa）
|
Mutation：UNP residues 215-241 replaced with engineered epitope | AJP Digitonin × 4 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.80 Å |
| 7VOD Crystal structure of 5-HT2AR in complex with cariprazine Deposited 2021-10-13 | 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
23–62（40 aa）
Chain A
88–128（41 aa）
|
Mutation：S162K,N164W,M1007W,R1098I,H1102I,R1106G,S372N Mutation：S162K,N164W,M1007W,R1098I,H1102I,R1106G,S372N | MG MAGNESIUM ION × 1 CLR CHOLESTEROL × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 7RU 3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293.15 K；100 mM Tris/HCl, 100 mM Potassium formate, 30% PEG
|
Resolution 3.30 Å R-free 0.239 |
| 7VOE Crystal structure of 5-HT2AR in complex with aripiprazole Deposited 2021-10-13 | 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
23–62（40 aa）
Chain A
88–128（41 aa）
|
Mutation：S162K,N164W,M1007W,R1098I,H1102I,R1106G,S372N Mutation：S162K,N164W,M1007W,R1098I,H1102I,R1106G,S372N | CLR CHOLESTEROL × 3 1PE PENTAETHYLENE GLYCOL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 9SC 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293.15 K；100 mM Tris/HCl, 50 mM ammonium floride, 28%-30% PEG400,
300 mM NDSB-195 or 3% w/v trimethylamine N-oxide dihydrate
|
Resolution 2.90 Å R-free 0.244 |
| 7W0L Cryo-EM structure of a dimeric GPCR-Gi complex with small molecule Deposited 2021-11-18 | 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 × 6 PDB declaration: hexameric |
Chain Q
23–127（105 aa）
Chain R
23–127（105 aa）
|
Not recorded | 8EH (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.57 Å |
| 7W0M Cryo-EM structure of a monomeric GPCR-Gi complex with small molecule Deposited 2021-11-18 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | 8EH (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.71 Å |
| 7W0N Cryo-EM structure of a dimeric GPCR-Gi complex with peptide Deposited 2021-11-18 | 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 × 8 PDB declaration: octameric |
Chain Q
23–127（105 aa）
Chain R
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.21 Å |
| 7W0O Cryo-EM structure of a monomeric GPCR-Gi complex with peptide Deposited 2021-11-18 | 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 × 6 PDB declaration: hexameric |
Chain R
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.78 Å |
| 7W0P Cryo-EM structure of a GPCR-Gi complex with peptide Deposited 2021-11-18 | 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 × 6 PDB declaration: hexameric |
Chain R
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.16 Å |
| 7WJ5 Cryo-EM structure of human somatostatin receptor 2 complex with its agonist somatostatin delineates the ligand binding specificity Deposited 2022-01-05 | 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 Heteromer；Protein × 6 PDB declaration: hexameric |
Chain R
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.72 Å |
| 7WVV Cryo-EM structure of the human formyl peptide receptor 2 in complex with fMLFII and Gi2 Deposited 2022-02-11 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Mutation：S211L | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.90 Å |
| 7WVW Cryo-EM structure of the human formyl peptide receptor 2 in complex with fMYFINILTL and Gi2 Deposited 2022-02-11 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Mutation：S211L | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.10 Å |
| 7WVX Cryo-EM structure of the human formyl peptide receptor 2 in complex with fhumanin and Gi2 Deposited 2022-02-11 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Mutation：S211L | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.80 Å |
| 7WVY Cryo-EM structure of the human formyl peptide receptor 2 in complex with Abeta42 and Gi2 Deposited 2022-02-11 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Mutation：S211L | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 7X5H Serotonin 5A (5-HT5A) receptor-Gi protein complex Deposited 2022-03-04 | 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 Heteromer；Protein × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | 8K3 3-(2-azanylethyl)-1H-indole-5-carboxamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 3.10 Å |
| 7XAY Crystal structure of Hat1-Hat2-Asf1-H3-H4 Deposited 2022-03-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
23–127（105 aa）
|
Not recorded | COA COENZYME A × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；289 K；100 mM Bis-Tris propane, pH 6.5, 20% PEG-3350, and 200 mM sodium nitrate
|
Resolution 3.30 Å R-free 0.256 |
| 7XKI Human Cx36/GJD2 (N-terminal deletion BRIL-fused mutant) gap junction channel in soybean lipids (D6 symmetry) Deposited 2022-04-19 | 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 Homooligomer；Protein × 12 PDB declaration: dodecameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
Chain F
23–128（106 aa）
Chain G
23–128（106 aa）
Chain H
23–128（106 aa）
Chain I
23–128（106 aa）
Chain J
23–128（106 aa）
Chain K
23–128（106 aa）
Chain L
23–128（106 aa）
|
Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L | MC3 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE × 48 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.40 Å |
| 7XKT Human Cx36/GJD2 (BRIL-fused mutant) gap junction channel in detergents at 2.2 Angstroms resolution Deposited 2022-04-20 | 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 × 12 PDB declaration: dodecameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
Chain F
23–128（106 aa）
Chain G
23–128（106 aa）
Chain H
23–128（106 aa）
Chain I
23–128（106 aa）
Chain J
23–128（106 aa）
Chain K
23–128（106 aa）
Chain L
23–128（106 aa）
|
Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L | MC3 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE × 72 Y01 CHOLESTEROL HEMISUCCINATE × 24 LHG 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 12 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.20 Å |
| 7XRZ Crystal structure of BRIL and SRP2070_Fab complex Deposited 2022-05-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain X
24–128（105 aa）
|
Mutation：M29W,H124I,R128L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277.15 K；PEG 6000, Tris-HCl
|
Resolution 2.10 Å R-free 0.268 |
| 7XRZ Crystal structure of BRIL and SRP2070_Fab complex Deposited 2022-05-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain Y
24–128（105 aa）
|
Mutation：M29W,H124I,R128L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277.15 K；PEG 6000, Tris-HCl
|
Resolution 2.10 Å R-free 0.268 |
| 7XT8 Serotonin 4 (5-HT4) receptor-Gs-Nb35 complex Deposited 2022-05-16 | 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 R
23–127（105 aa）
|
Not recorded | CLR CHOLESTEROL × 5 PLM PALMITIC ACID × 2 SRO SEROTONIN × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 3.10 Å |
| 7XT9 Serotonin 4 (5-HT4) receptor-Gs complex Deposited 2022-05-16 | 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 R
23–127（105 aa）
|
Not recorded | CLR CHOLESTEROL × 4 PLM PALMITIC ACID × 2 SRO SEROTONIN × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 3.20 Å |
| 7XTA Serotonin 4 (5-HT4) receptor-Gi-scFv16 complex Deposited 2022-05-16 | 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 R
23–127（105 aa）
|
Not recorded | SRO SEROTONIN × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 3.20 Å |
| 7XTB Serotonin 6 (5-HT6) receptor-Gs-Nb35 complex Deposited 2022-05-16 | 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 R
23–127（105 aa）
|
Not recorded | SRO SEROTONIN × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 3.30 Å |
| 7XTC Serotonin 7 (5-HT7) receptor-Gs-Nb35 complex Deposited 2022-05-16 | 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 R
23–127（105 aa）
|
Not recorded | 8K3 3-(2-azanylethyl)-1H-indole-5-carboxamide × 1 CLR CHOLESTEROL × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 3.20 Å |
| 7XWO Neurokinin A bound to active human neurokinin 2 receptor in complex with G324 Deposited 2022-05-26 | 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
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 2.70 Å |
| 7XY6 Adenosine receptor bound to an agonist in complex with G protein obtained by cryo-EM Deposited 2022-05-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain R
23–127（105 aa）
|
Mutation：M29W, H124I | I5D 2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.99 Å |
| 7XY7 Adenosine receptor bound to a non-selective agonist in complex with a G protein obtained by cryo-EM Deposited 2022-05-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain R
23–127（105 aa）
|
Mutation：M29W, H124I | NEC N-ETHYL-5'-CARBOXAMIDO ADENOSINE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.26 Å |
| 7XZ5 GPR119-Gs-LPC complex Deposited 2022-06-02 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | LSC (4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 3.10 Å |
| 7XZ6 GPR119-Gs-APD668 complex Deposited 2022-06-02 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | I7J propan-2-yl 4-[1-(2-fluoranyl-4-methylsulfonyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 2.80 Å |
| 7Y12 Cryo-EM structure of MrgD-Gi complex with beta-alanine Deposited 2022-06-06 | 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 R
23–127（105 aa）
Fragment：Chimera protein of Cytochrome b-562 (UNP residues 23-127) and MrgD (UNP residues 5-321)
|
Mutation：M29W, H124I | BAL BETA-ALANINE × 1 PLM PALMITIC ACID × 3 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE；blot time 3 seconds
blot force 5
|
Resolution 3.10 Å |
| 7Y13 Cryo-EM structure of apo-state MrgD-Gi complex (local) Deposited 2022-06-06 | 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 R
23–127（105 aa）
Fragment：Chimera protein of Cytochrome b-562 (UNP residues 23-127) and MrgD (UNP residues 5-321)
|
Mutation：M29W, H124I | PLM PALMITIC ACID × 7 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE；blot time 3 seconds
blot force 5
|
Resolution 3.10 Å |
| 7Y14 Cryo-EM structure of MrgD-Gi complex with beta-alanine (local) Deposited 2022-06-06 | 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 R
23–127（105 aa）
Fragment：Chimera protein of Cytochrome b-562 (UNP residues 23-127) and MrgD (UNP residues 5-321)
|
Mutation：M29W ,H124I | BAL BETA-ALANINE × 1 PLM PALMITIC ACID × 4 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE；blot time 3 seconds
blot force 5
|
Resolution 3.20 Å |
| 7Y15 Cryo-EM structure of apo-state MrgD-Gi complex Deposited 2022-06-06 | 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 R
23–127（105 aa）
Fragment：Chimera protein of Cytochrome b-562 (UNP residues 23-127) and MrgD (UNP residues 5-321)
|
Mutation：M29W, H124I | PLM PALMITIC ACID × 3 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE；blot time 3 seconds
blot force 5
|
Resolution 2.90 Å |
| 7YIT Molecular mechanism of biased signaling at the kappa opioid receptor Deposited 2022-07-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain E
23–128（106 aa）
|
Mutation：M1007W,V1084E,H1102I | IVB nalfurafine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6.7；293 K；40-200 mM magnesium sulfate hydrate, 100 mM sodium citrate tribasic dehydrate, 10 mM Manganese (II) chloride tetrahydrate
28-30% PEG400
|
Resolution 3.30 Å R-free 0.335 |
| 7YXA XFEL crystal structure of the human sphingosine 1 phosphate receptor 5 in complex with ONO-5430608 Deposited 2022-02-15 | 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
23–128（106 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 B2O 4-[6-(2-naphthalen-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butanoic acid × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7；295 K；crystallization in syringes in precipitant conditions containing 100-300 mM KH2PO4 monobasic, 28-32% v/v PEG400, and 100 mM HEPES pH 7
|
Resolution 2.20 Å R-free 0.329 |
| 7YXA XFEL crystal structure of the human sphingosine 1 phosphate receptor 5 in complex with ONO-5430608 Deposited 2022-02-15 | 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
23–128（106 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 B2O 4-[6-(2-naphthalen-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butanoic acid × 1 OLA OLEIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7；295 K；crystallization in syringes in precipitant conditions containing 100-300 mM KH2PO4 monobasic, 28-32% v/v PEG400, and 100 mM HEPES pH 7
|
Resolution 2.20 Å R-free 0.329 |
| 7ZI0 Structure of human Smoothened in complex with cholesterol and SAG Deposited 2022-04-07 | 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
23–127（105 aa）
|
Not recorded | V0S 3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide × 1 CLR CHOLESTEROL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 MPG [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6；293 K；0.1 M MES pH6.0,
0.09-0.12 M potassium formate,
24-27% (v/v) PEG500 DME,
0.5 mM zinc chloride,
0.1 M ammonium fluoride
|
Resolution 3.00 Å R-free 0.275 |
| 7ZI0 Structure of human Smoothened in complex with cholesterol and SAG Deposited 2022-04-07 | 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
23–127（105 aa）
|
Not recorded | V0S 3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide × 1 CLR CHOLESTEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6；293 K；0.1 M MES pH6.0,
0.09-0.12 M potassium formate,
24-27% (v/v) PEG500 DME,
0.5 mM zinc chloride,
0.1 M ammonium fluoride
|
Resolution 3.00 Å R-free 0.275 |
| 7ZL9 Crystal structure of human GPCR Niacin receptor (HCA2) Deposited 2022-04-14 | 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
23–128（106 aa）
|
Not recorded | OLA OLEIC ACID × 5 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 UNX UNKNOWN LIGAND × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100mM pH5.4 sodium citrate, 60mM ammonium citrate, 36% PEG400, and 3% Additive 80 (40% PPG)
|
Resolution 2.70 Å R-free 0.248 |
| 7ZLY Crystal structure of human GPCR Niacin receptor (HCA2) expressed from Spodoptera frugiperda Deposited 2022-04-17 | 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
23–127（105 aa）
|
Not recorded | OLA OLEIC ACID × 6 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100mM pH5.4 sodium citrate, 60mM ammonium citrate, 36% PEG400, and 3% Additive 80 (40% PPG)
|
Resolution 2.70 Å R-free 0.280 |
| 8A2O Room-temperature structure of the stabilised A2A-Theophylline complex determined by synchrotron serial crystallography Deposited 2022-06-06 | 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
23–128（106 aa）
|
Mutation：A54L,T88A,R107A,K122A,L202A,L235A,V239A6,S277A,N154A | TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 4.5；293 K；0.1 M tri-sodium citrate pH 4.5, 0.05 M sodium thiocyanate, 29% (v/v) polyethylene glycol 400, 2% (v/v) 2,5-hexanediol
|
Resolution 3.45 Å R-free 0.241 |
| 8A2P Room-temperature structure of the stabilised A2A-LUAA47070 complex determined by synchrotron serial crystallography Deposited 2022-06-06 | 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
23–128（106 aa）
|
Mutation：A54L,T88A,R107A,K122A,L202A,L235A,V239A6,S277A,N154A | 9Y2 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 4 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 4.5；293 K；0.1 M tri-sodium citrate pH 4.5, 0.05 M sodium thiocyanate, 29% (v/v) polyethylene glycol 400, 2% (v/v) 2,5-hexanediol
|
Resolution 3.50 Å R-free 0.247 |
| 8C9W Crystal structure of the adenosine A2A receptor (construct A2A-PSB2-bRIL) complexed with Etrumadenant at the orthosteric pocket Deposited 2023-01-23 | 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
23–128（106 aa）
|
Not recorded | U30 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 5 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；293 K；30 % (w/v) PEG400, 7 % (w/v) Tacsimate pH 7.0,100 mM HEPES-Na pH 7.4, 1.8 % (w/v) 2,5-hexandiol, 25 microM Etrumadenant
|
Resolution 2.11 Å R-free 0.267 |
| 8CIC Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with clinical candidate Etrumadenant Deposited 2023-02-09 | 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
23–128（106 aa）
|
Mutation：A54L,T88A,K122A,V239A,R107A,L202A,L235A | NA SODIUM ION × 1 U30 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 15 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；294 K；0.1 M sodium citrate pH 5.0, 50 mM sodium thiocyanate, 3 % (v/v) 2-methyl-2,4-pentanediol (MPD), 21-32 % (w/v) PEG400, and 2 mM theophylline
|
Resolution 2.10 Å R-free 0.214 |
| 8CU6 Crystal structure of A2AAR-StaR2-S277-bRIL in complex with a novel A2a antagonist, LJ-4517 Deposited 2022-05-16 | 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
23–127（105 aa）
|
Mutation：yes | OLA OLEIC ACID × 16 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 PEG DI(HYDROXYETHYL)ETHER × 1 LJX (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol × 1 CLR CHOLESTEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.1 M HEPES, pH 5.3, 0.05 M sodium thiocyanate, 30% PEG400, 2% 2,2,2-trifluoroethanol
|
Resolution 2.80 Å R-free 0.247 |
| 8CU7 Crystal structure of A2AAR-StaR2-bRIL in complex with a novel A2a antagonist, LJ-4517 Deposited 2022-05-16 | 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
23–127（105 aa）
|
Mutation：S277A | PEG DI(HYDROXYETHYL)ETHER × 4 LJX (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol × 1 NA SODIUM ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 OLA OLEIC ACID × 23 CLR CHOLESTEROL × 3 ETF TRIFLUOROETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.1 M HEPES, pH 5.3, 0.05 M sodium thiocyanate, 30% PEG400, 2% 2,2,2-trifluoroethanol
|
Resolution 2.05 Å R-free 0.211 |
| 8DEN Heme-Free Cytochrome Variant ApoCyt Deposited 2022-06-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；22% PEG 2000, 200 mM MgCl2, 100 mM Tris pH 8.5
|
Resolution 1.69 Å R-free 0.217 |
| 8DEN Heme-Free Cytochrome Variant ApoCyt Deposited 2022-06-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；22% PEG 2000, 200 mM MgCl2, 100 mM Tris pH 8.5
|
Resolution 1.69 Å R-free 0.217 |
| 8DEP Cryo-EM structure of the human reduced folate carrier, apo condition Deposited 2022-06-21 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
25–127（103 aa）
|
Not recorded | AJP Digitonin × 4 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.60 Å |
| 8DJK HMGCR-UBIAD1 Complex State 2 Deposited 2022-06-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain C
25–127（103 aa）
|
Not recorded | Y01 CHOLESTEROL HEMISUCCINATE × 6 AJP Digitonin × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.33 Å |
| 8DJM HMGCR-UBIAD1 Complex State 1 Deposited 2022-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain C
25–127（103 aa）
|
Not recorded | Y01 CHOLESTEROL HEMISUCCINATE × 6 AJP Digitonin × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.23 Å |
| 8DR8 LRRC8A:C conformation 2 (oblong) top mask Deposited 2022-07-20 | 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 × 6 PDB declaration: hexameric |
Chain A
23–127（105 aa）
Chain B
23–127（105 aa）
Chain C
23–127（105 aa）
Chain D
23–127（105 aa）
Chain E
23–127（105 aa）
|
Not recorded | PEE 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine × 20 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.04 Å |
| 8DRA LRRC8A:C conformation 2 (oblong) LRR mask Deposited 2022-07-20 | 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 × 3 PDB declaration: trimeric |
Chain A
23–127（105 aa）
Chain B
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.98 Å |
| 8DRD Ni(II)-bound B2 dimer (H60/H100/H104) Deposited 2022-07-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
|
Not recorded | HEC HEME C × 2 NI NICKEL (II) ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；MPD 45%, NaCl 200 mM, TRIS-HCl 100 mM
|
Resolution 1.89 Å R-free 0.215 |
| 8DRE LRRC8A:C conformation 2 (oblong) Deposited 2022-07-20 | 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 × 6 PDB declaration: hexameric |
Chain A
23–127（105 aa）
Chain B
23–127（105 aa）
Chain C
23–127（105 aa）
Chain D
23–127（105 aa）
Chain E
23–127（105 aa）
|
Not recorded | PEE 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine × 20 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.18 Å |
| 8DRF Zn(II)-bound B2 dimer (H60/H100/H104) Deposited 2022-07-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
|
Mutation：D60H, A100H, K104H | HEC HEME C × 2 ZN ZINC ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；PEG3350 7%, (NH4)2SO4 200 mM, MES 100 mM
|
Resolution 1.70 Å R-free 0.242 |
| 8DRJ Apo B2 dimer (H60/H100/H104) formed in the presence of Cu(II) Deposited 2022-07-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
Chain C
23–128（106 aa）
|
Mutation：D60H, A100H, K104H Mutation：D60H, A100H, K104H | HEC HEME C × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；PEG3350 25%, (NH4)2SO4 200 mM, Tris 100 mM, CuCl2 4 mM
|
Resolution 2.40 Å R-free 0.283 |
| 8DRK LRRC8A:C conformation 1 (round) top focus Deposited 2022-07-21 | 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 × 6 PDB declaration: hexameric |
Chain A
23–127（105 aa）
Chain B
23–127（105 aa）
Chain C
23–127（105 aa）
Chain D
23–127（105 aa）
Chain E
23–127（105 aa）
|
Not recorded | PEE 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine × 21 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.95 Å |
| 8DRL Zn(II)-bound B2 dimer (H60/H100/H104) formed in Cu(II)//Zn(II) (M1 // M2) condition Deposited 2022-07-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
|
Mutation：D60H, A100H, K104H | HEC HEME C × 2 ZN ZINC ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 9；298 K；PEG3350 24%, CHES 100 mM
|
Resolution 1.65 Å R-free 0.202 |
| 8DRM Zn(II)-bound B2 dimer (H60/H100/H104) formed in Zn(II)//Cu(II) (M1 // M2) condition Deposited 2022-07-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
|
Not recorded | HEC HEME C × 2 ZN ZINC ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 9；298 K；PEG3350 25%, CHES 100 mM
|
Resolution 1.55 Å R-free 0.229 |
| 8DRN LRRC8A:C conformation 1 (round) LRR focus 1 Deposited 2022-07-21 | 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 × 2 PDB declaration: dimeric |
Chain A
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.12 Å |
| 8DRO LRRC8A:C conformation 1 (round) LRR focus 2 Deposited 2022-07-21 | Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
23–127（105 aa）
Chain C
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.06 Å |
| 8DRQ LRRC8A:C conformation 1 (round) LRR focus 3 Deposited 2022-07-21 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.16 Å |
| 8DS3 LRRC8A:C conformation 1 (round) Deposited 2022-07-21 | 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 × 6 PDB declaration: hexameric |
Chain A
23–127（105 aa）
Chain B
23–127（105 aa）
Chain C
23–127（105 aa）
Chain D
23–127（105 aa）
Chain E
23–127（105 aa）
|
Not recorded | PEE 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine × 21 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.07 Å |
| 8DS9 LRRC8A:C in MSPE3D1 nanodisc top focus Deposited 2022-07-21 | 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 × 6 PDB declaration: hexameric |
Chain A
23–127（105 aa）
Chain B
23–127（105 aa）
Chain C
23–127（105 aa）
Chain D
23–127（105 aa）
Chain E
23–127（105 aa）
|
Not recorded | PEE 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine × 4 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.17 Å |
| 8DSA LRRC8A:C in MSP1E3D1 nanodisc Deposited 2022-07-21 | 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 × 6 PDB declaration: hexameric |
Chain A
23–127（105 aa）
Chain B
23–127（105 aa）
Chain C
23–127（105 aa）
Chain D
23–127（105 aa）
Chain E
23–127（105 aa）
|
Not recorded | PEE 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine × 4 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.48 Å |
| 8DU3 Crystal structure of A2AAR-StaR2-bRIL in complex with compound 21a Deposited 2022-07-26 | 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
23–128（106 aa）
|
Mutation：A79L, T113A, R132A, K147A, N179A, L227A, M240W, H335I, R339L, L356A, V360A, S398A | TKO (4M)-6-bromo-4-(furan-2-yl)quinazolin-2-amine × 1 CLR CHOLESTEROL × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 OLA OLEIC ACID × 17 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 4.5；293 K；Sodium Citrate pH 4.5, sodium thiocyanate, PEG 400, 2,4-hexanediol
|
Resolution 2.50 Å R-free 0.232 |
| 8F74 LRRC8A(T48D):C conformation 2 top focus Deposited 2022-11-18 | 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 × 6 PDB declaration: hexameric |
Chain A
23–127（105 aa）
Chain B
23–127（105 aa）
Chain C
23–127（105 aa）
Chain D
23–127（105 aa）
Chain E
23–127（105 aa）
|
Not recorded | PEE 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine × 15 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.10 Å |
| 8F77 LRRC8A(T48D):C conformation 2 top focus Deposited 2022-11-18 | 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 × 6 PDB declaration: hexameric |
Chain A
23–127（105 aa）
Chain B
23–127（105 aa）
Chain C
23–127（105 aa）
Chain D
23–127（105 aa）
Chain E
23–127（105 aa）
|
Mutation：T48D Mutation：T48D Mutation：T48D Mutation：T48D Mutation：T48D | PEE 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine × 15 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.15 Å |
| 8F79 LRRC8A(T48D):C conformation 2 top focus Deposited 2022-11-18 | 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 × 6 PDB declaration: hexameric |
Chain A
23–127（105 aa）
Chain B
23–127（105 aa）
Chain C
23–127（105 aa）
Chain D
23–127（105 aa）
Chain E
23–127（105 aa）
|
Mutation：T48D Mutation：T48D Mutation：T48D Mutation：T48D Mutation：T48D | PEE 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine × 17 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.15 Å |
| 8F7B LRRC8A(T48D):C conformation 2 top focus Deposited 2022-11-18 | 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 × 6 PDB declaration: hexameric |
Chain A
23–127（105 aa）
Chain B
23–127（105 aa）
Chain C
23–127（105 aa）
Chain D
23–127（105 aa）
Chain E
23–127（105 aa）
|
Mutation：T48D Mutation：T48D Mutation：T48D Mutation：T48D Mutation：T48D | PEE 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine × 17 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.15 Å |
| 8F7C Cryo-EM structure of human pannexin 2 Deposited 2022-11-18 | 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 Homooligomer；Protein × 7 PDB declaration: heptameric |
Chain A
23–127（105 aa）
Chain B
23–127（105 aa）
Chain C
23–127（105 aa）
Chain D
23–127（105 aa）
Chain E
23–127（105 aa）
Chain F
23–127（105 aa）
Chain G
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8；20mM Tris-HCL, 150mM NaCl, 40uM GDN, 1mM Fluorinated Fos-Choline-8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.92 Å |
| 8F7D LRRC8A(T48D):C conformation 2 top focus Deposited 2022-11-18 | 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
23–127（105 aa）
|
Mutation：T48D | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.20 Å |
| 8F7E LRRC8A(T48D):C conformation 2 top focus Deposited 2022-11-18 | Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
23–127（105 aa）
Chain C
23–127（105 aa）
|
Mutation：T48D Mutation：T48D | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.13 Å |
| 8F7J LRRC8A(T48D):C conformation 2 top focus Deposited 2022-11-18 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
23–127（105 aa）
|
Mutation：T48D | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.32 Å |
| 8FYN MicroED structure of A2A from plasma milled lamellae Deposited 2023-01-26 | 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
23–127（105 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 15 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 5 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 NA SODIUM ION × 1 |
ELECTRON CRYSTALLOGRAPHY
cryo-EM buffer
pH 4.7
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.00 Å R-free 0.279 |
| 8GNE Crystal structure of human adenosine A2A receptor in complex with an insurmountable inverse agonist, KW-6356. Deposited 2022-08-23 | 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
23–128（106 aa）
|
Mutation：N154Q,M1007W,H1102I,R1106L | JQR ~{N}-[4-(furan-2-yl)-5-(oxan-4-ylcarbonyl)-1,3-thiazol-2-yl]-6-methyl-pyridine-3-carboxamide × 1 CLR CHOLESTEROL × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 18 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293.15 K；PEG 400, sodium thiocyanate, 2,5-hexanediol, sodium citrate
|
Resolution 2.30 Å R-free 0.235 |
| 8GY7 Cryo-EM structure of ACTH-bound melanocortin-2 receptor in complex with MRAP1 and Gs protein Deposited 2022-09-21 | 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 × 6 PDB declaration: hexameric |
Chain R
23–128（106 aa）
|
Not recorded | CA CALCIUM ION × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.2
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.30 Å |
| 8HII The BRIL-SLC19A1/Fab/Nb ternary complex Deposited 2022-11-20 | 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 × 4 PDB declaration: tetrameric |
Chain A
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.57 Å |
| 8HIJ The 5-MTHF-bound BRIL-SLC19A1/Fab/Nb ternary complex Deposited 2022-11-20 | 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 × 4 PDB declaration: tetrameric |
Chain A
23–127（105 aa）
|
Not recorded | THH N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.54 Å |
| 8HIK The TPP-bound BRIL-SLC19A1/Fab/Nb ternary complex Deposited 2022-11-20 | 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 × 4 PDB declaration: tetrameric |
Chain A
23–127（105 aa）
|
Not recorded | TPP THIAMINE DIPHOSPHATE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.72 Å |
| 8HJ5 Cryo-EM structure of Gq-coupled MRGPRX1 bound with Compound-16 Deposited 2022-11-22 | 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 × 6 PDB declaration: hexameric |
Chain F
24–128（105 aa）
|
Mutation：M29W,H124I,R128L | U2U N-{2-[(1-aminoisoquinolin-6-yl)oxy]-4-methylphenyl}-2-methoxybenzene-1-sulfonamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 8HN8 Cryo-EM structure of ligand histamine-bound Histamine H4 receptor Gi complex Deposited 2022-12-07 | 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 R
23–127（105 aa）
|
Not recorded | HSM HISTAMINE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 8HNK CXCR3-DNGi complex activated by CXCL11 Deposited 2022-12-08 | 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 R
23–127（105 aa）
|
Not recorded | CLR CHOLESTEROL × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.01 Å |
| 8HNL CXCR3-DNGi complex activated by PS372424 Deposited 2022-12-08 | 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 R
23–127（105 aa）
|
Not recorded | CLR CHOLESTEROL × 2 4AI (3S)-N-[(2S)-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.98 Å |
| 8HNM CXCR3-DNGi complex activated by VUF11222 Deposited 2022-12-08 | 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 R
23–127（105 aa）
|
Not recorded | CLR CHOLESTEROL × 2 4IE [4-(2-bromophenyl)phenyl]methyl-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethyl-azanium × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.94 Å |
| 8HNN Structure of CXCR3 complexed with antagonist SCH546738 Deposited 2022-12-08 | 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 R
23–127（105 aa）
|
Not recorded | 43I 3-azanyl-6-chloranyl-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide × 1 CLR CHOLESTEROL × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.60 Å |
| 8HOC Cryo-EM structure of ligand histamine-bound Histamine H4 receptor Gi complex Deposited 2022-12-09 | 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 Heteromer；Protein × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | ITF 2-(1~{H}-imidazol-5-yl)ethyl carbamimidothioate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 8HQE Cryo-EM structure of the apo-GPR132-Gi Deposited 2022-12-13 | 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 R
23–128（106 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.97 Å |
| 8HQM Activation mechanism of GPR132 by NPGLY Deposited 2022-12-13 | 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 R
23–128（106 aa）
|
Not recorded | 140 N-PALMITOYLGLYCINE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.95 Å |
| 8HQN Activation mechanism of GPR132 by 9(S)-HODE Deposited 2022-12-13 | 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 R
23–128（106 aa）
|
Not recorded | 9HO (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 8HS2 Orphan GPR20 in complex with Fab046 Deposited 2022-12-16 | 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 R
30–127（98 aa）
|
Mutation：L139W,D293N | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.08 Å |
| 8HS3 Gi bound orphan GPR20 in ligand-free state Deposited 2022-12-16 | 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 R
22–127（106 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.14 Å |
| 8HSC Gi bound Orphan GPR20 complex with Fab046 in ligand-free state Deposited 2022-12-19 | 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 × 7 PDB declaration: heptameric |
Chain R
30–127（98 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.22 Å |
| 8HVI Activation mechanism of GPR132 by compound NOX-6-7 Deposited 2022-12-26 | 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 R
30–123（94 aa）
|
Not recorded | NFI 3-methyl-5-[(4-oxidanylidene-4-phenyl-butanoyl)amino]-1-benzofuran-2-carboxylic acid × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.04 Å |
| 8IBU Cryo-EM structure of the erythromycin-bound motilin receptor-Gq protein complex Deposited 2023-02-10 | 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 R
23–127（105 aa）
|
Not recorded | ERY ERYTHROMYCIN A × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.51 Å |
| 8IBV Cryo-EM structure of the motilin-bound motilin receptor-Gq protein complex Deposited 2023-02-10 | 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 × 6 PDB declaration: hexameric |
Chain R
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.19 Å |
| 8IHB Cryo-EM structure of HCA2-Gi complex with GSK256073 Deposited 2023-02-22 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Mutation：M29W,H124I | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 OKL 8-chloranyl-3-pentyl-7H-purine-2,6-dione × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.85 Å |
| 8IHF Cryo-EM structure of HCA2-Gi complex with MK6892 Deposited 2023-02-22 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Mutation：M29W,H124I | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FI7 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.97 Å |
| 8IHH Cryo-EM structure of HCA2-Gi complex with LUF6283 Deposited 2023-02-22 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Mutation：M29W,H124I | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 P8A 5-butyl-1~{H}-pyrazole-3-carboxylic acid × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.06 Å |
| 8IHI Cryo-EM structure of HCA2-Gi complex with acifran Deposited 2023-02-22 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Mutation：M29W,H124I | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 P9X (5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.11 Å |
| 8IHJ Cryo-EM structure of HCA3-Gi complex with acifran Deposited 2023-02-22 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Mutation：M29W,H124I | P9X (5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.07 Å |
| 8IHK Cryo-EM structure of HCA3-Gi complex with acifran (local) Deposited 2023-02-22 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain R
23–127（105 aa）
|
Mutation：M29W,H124I | P9X (5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.21 Å |
| 8IKJ Cryo-EM structure of the inactive CD97 Deposited 2023-02-28 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain R
21–127（107 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å |
| 8IRS Dopamine Receptor D2R-Gi-Rotigotine complex Deposited 2023-03-19 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | R5F Rotigotine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 3.00 Å |
| 8IRT Dopamine Receptor D3R-Gi-Rotigotine complex Deposited 2023-03-19 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | R5F Rotigotine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 2.70 Å |
| 8IRV Dopamine Receptor D5R-Gs-Rotigotine complex Deposited 2023-03-19 | 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 R
23–127（105 aa）
|
Not recorded | R5F Rotigotine × 1 CLR CHOLESTEROL × 10 PLM PALMITIC ACID × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 3.10 Å |
| 8J46 Human Consensus Olfactory Receptor OR52c in apo state, OR52c-bRIL Deposited 2023-04-19 | 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
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE；blot time 3 seconds
|
Resolution 3.66 Å |
| 8J7E Crystal structure of BRIL in complex with 1b3 Fab Deposited 2023-04-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain F
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIQUID DIFFUSION；295.15 K；0.1 M sodium acetate pH 5.0, 15% (w/v) PEG 6000
|
Resolution 2.80 Å R-free 0.251 |
| 8J7E Crystal structure of BRIL in complex with 1b3 Fab Deposited 2023-04-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain E
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIQUID DIFFUSION；295.15 K；0.1 M sodium acetate pH 5.0, 15% (w/v) PEG 6000
|
Resolution 2.80 Å R-free 0.251 |
| 8J9O Cryo-EM structure of inactive FZD1 Deposited 2023-05-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.40 Å |
| 8JH7 FZD6 in inactive state Deposited 2023-05-22 | 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 × 4 PDB declaration: tetrameric |
Chain D
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å |
| 8JHC FZD3 in inactive state Deposited 2023-05-23 | 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 Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain R
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.30 Å |
| 8JJ8 Cryo-EM structure of the beta2AR-mBRIL/1b3 Fab/Glue complex with a partial agonist Deposited 2023-05-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain F
23–128（106 aa）
|
Not recorded | H98 ~{N}-[5-[(1~{R})-2-[[(2~{R})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen NITROGEN
|
Resolution 3.20 Å |
| 8JJL cryo-EM structure of the beta2-AR-mBRIL/1b3 Fab/Glue complex with a full agonist Deposited 2023-05-30 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Not recorded | DZQ Olodaterol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen NITROGEN
|
Resolution 3.20 Å |
| 8JLJ T1AM-bound mTAAR1-Gs protein complex Deposited 2023-06-02 | 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 × 5 PDB declaration: pentameric |
Chain R
23–128（106 aa）
|
Mutation：M15W,H110I,R114L | UJF 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.10 Å |
| 8JLK Ulotaront(SEP-363856)-bound mTAAR1-Gs protein complex Deposited 2023-06-02 | 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 × 5 PDB declaration: pentameric |
Chain R
23–128（106 aa）
|
Mutation：M15W,H110I,R114L | UJL 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.22 Å |
| 8JLN T1AM-bound hTAAR1-Gs protein complex Deposited 2023-06-02 | 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 × 5 PDB declaration: pentameric |
Chain R
23–128（106 aa）
|
Mutation：M29W,H124I,R128L | UJF 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.24 Å |
| 8JLO Ulotaront(SEP-363856)-bound hTAAR1-Gs protein complex Deposited 2023-06-02 | 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 × 4 PDB declaration: tetrameric |
Chain R
23–128（106 aa）
|
Mutation：M29W,H124I,R128L | UJL 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.52 Å |
| 8JLP Ralmitaront(RO-6889450)-bound hTAAR1-Gs protein complex Deposited 2023-06-02 | 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 × 4 PDB declaration: tetrameric |
Chain R
23–128（106 aa）
|
Mutation：M29W,H124I,R128L | UJU 5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.23 Å |
| 8JLQ Fenoldopam-bound hTAAR1-Gs protein complex Deposited 2023-06-02 | 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 × 5 PDB declaration: pentameric |
Chain R
23–128（106 aa）
|
Mutation：M29W,H124I,R128L | G3C (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.84 Å |
| 8JLR A77636-bound hTAAR1-Gs protein complex Deposited 2023-06-02 | 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 × 5 PDB declaration: pentameric |
Chain R
23–128（106 aa）
|
Mutation：M29W,H124I,R128L | VRK (1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 8JMT Structure of the adhesion GPCR ADGRL3 in the apo state Deposited 2023-06-05 | 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
24–65（42 aa）
Chain A
77–128（52 aa）
|
Mutation：T364A/M566W/H654I Mutation：T364A/M566W/H654I | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen NITROGEN
|
Resolution 3.36 Å |
| 8JPN Cryo-EM structure of succinate receptor bound to cis-epoxysuccinic acid coupling to Gi Deposited 2023-06-12 | 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 Heteromer；Protein × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | U9S (2R,3S)-oxirane-2,3-dicarboxylic acid × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.90 Å |
| 8JPP Cryo-EM structure of succinate receptor bound to succinate acid coupling MiniGsq Deposited 2023-06-12 | 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 Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain R
23–127（105 aa）
|
Not recorded | SIN SUCCINIC ACID × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å |
| 8JSO AMPH-bound hTAAR1-Gs protein complex Deposited 2023-06-20 | 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 × 5 PDB declaration: pentameric |
Chain R
23–128（106 aa）
|
Mutation：M29W,H124I,R128L | 1WE (2S)-1-phenylpropan-2-amine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.40 Å |
| 8JT6 5-HT1A-Gi in complex with compound (R)-IHCH-7179 Deposited 2023-06-21 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | CLR CHOLESTEROL × 5 PLM PALMITIC ACID × 2 J40 [(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate × 1 EZX 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 3.00 Å |
| 8JT8 Crystal structure of 5-HT2AR in complex with (R)-IHCH-7179 Deposited 2023-06-21 | 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
23–62（40 aa）
Chain A
88–128（41 aa）
|
Mutation：S162K,M164W,M1007W,R1098I,H1102I,R1106G,S372N Mutation：S162K,M164W,M1007W,R1098I,H1102I,R1106G,S372N | MG MAGNESIUM ION × 1 EZX 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 CLR CHOLESTEROL × 2 1PE PENTAETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 8；293.15 K；100 mM Tris/HCl, 160 mM Potassium fluoride, 30% PEG400
|
Resolution 2.70 Å R-free 0.270 |
| 8K2W Structure of CXCR3 complexed with antagonist AMG487 Deposited 2023-07-14 | 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 × 2 PDB declaration: dimeric |
Chain R
23–127（105 aa）
|
Not recorded | CLR CHOLESTEROL × 1 PCW 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE × 1 LPC [1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE × 1 FI6 N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 8K2X CXCR3-DNGi complex activated by CXCL10 Deposited 2023-07-14 | 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 × 6 PDB declaration: hexameric |
Chain R
23–127（105 aa）
|
Not recorded | CLR CHOLESTEROL × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å |
| 8K4S CryoEM structure of Gq coupled MRGPRX4 with agonist DCA-3P Deposited 2023-07-20 | 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 × 5 PDB declaration: pentameric |
Chain E
23–128（106 aa）
|
Not recorded | JW0 (4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-12-oxidanyl-3-phosphonooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.90 Å |
| 8K8J Cannabinoid Receptor 1 bound to Fenofibrate coupling MiniGsq and Nb35 Complex Deposited 2023-07-30 | 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 R
23–127（105 aa）
|
Not recorded | J3O Fenofibrate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.88 Å |
| 8K9K Full agonist-bound mu-type opioid receptor-G protein complex Deposited 2023-08-01 | 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 Heteromer；Protein × 6 PDB declaration: hexameric |
Chain R
23–128（106 aa）
|
Mutation：M7W,H102I,R106L | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.98 Å |
| 8KEX CryoEM structure of Gq coupled MRGPRX4 with agonist DCA-3P, local Deposited 2023-08-14 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
23–128（106 aa）
|
Not recorded | JW0 (4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-12-oxidanyl-3-phosphonooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å |
| 8KIG Cryo-EM structure of MC3R in complex with SHU9119 Deposited 2023-08-23 | 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 Heteromer；Protein × 2 PDB declaration: dimeric |
Chain R
23–127（105 aa）
|
Not recorded | CA CALCIUM ION × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.10 Å |
| 8PWN Structure of A2A adenosine receptor A2AR-StaR2-bRIL, solved at wavelength 2.75 A Deposited 2023-07-20 | 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
23–123（101 aa）
|
Not recorded | TEP THEOPHYLLINE × 1 OLA OLEIC ACID × 12 CLR CHOLESTEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.1 M TRI-SODIUM CITRATE PH 5.3-5.4, 0.05 M SODIUM THIOCYANATE, 29-32% PEG400, 2%(V/V) 2,5-HEXANEDIOL
|
Resolution 2.40 Å R-free 0.261 |
| 8QJ2 Structure of active state MC4R in complex with a potent ligand mimicking nanobody Deposited 2023-09-12 | 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 Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
22–127（106 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.40 Å |
| 8RLN Crystal structure of human adenosine A2A receptor (construct A2A-PSB2-bRIL) complexed with the partial antagonist LUF5834 at the orthosteric pocket Deposited 2024-01-03 | 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
23–127（105 aa）
|
Not recorded | CLR CHOLESTEROL × 3 OLA OLEIC ACID × 4 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 A1H1S 2-azanyl-4-(4-hydroxyphenyl)-6-(1~{H}-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.2；293 K；23% (w/v) PEG400, 90 mM sodium thiocyanate, 100 mM sodium citrate pH 5.2, and 2% (w/v) 2,5 hexandiol
|
Resolution 2.43 Å R-free 0.281 |
| 8RQQ In meso structure of the adenosine A2a G protein-coupled receptor, A2aR, in 7.10 monoacylglycerol Deposited 2024-01-19 | 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
23–128（106 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 3 A1H2K 7.10 monoacylglycerol (S-form) × 8 A1H52 7.10 monoacylglycerol (R-form) × 1 GOL GLYCEROL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；30-35.5 %(v/v) PEG400, 50 mM sodium thiocyanate, 100 mM sodium citrate at pH 5, 0.2 %(v/v) 2,5-hexanediol, and 0.025 mM ZM241385
|
Resolution 2.37 Å R-free 0.274 |
| 8RW0 Crystal structure of the adenosine A2A receptor in complex with Istradefylline 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
23–127（105 aa）
|
Not recorded | JQ9 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 23 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；0.1 M Sodium citrate pH 5, 0.05 M Sodium thiocyanate, 3% (v/v)
2-methyl-2,4-pentanediol, 32% (v/v) PEG 400, 1 mM Theophylline
|
Resolution 1.94 Å R-free 0.217 |
| 8RW4 Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'AzoSwitch2 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
23–127（105 aa）
|
Not recorded | A1H3L 8-[(~{E})-(3,4-dimethoxyphenyl)diazenyl]-1,3-diethyl-7~{H}-purine-2,6-dione × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 19 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；0.1 M Sodium citrate pH 5, 0.05 M Sodium thiocyanate, 3% (v/v)
2-methyl-2,4-pentanediol, 32% (v/v) PEG 400, 1 mM Theophylline
|
Resolution 2.20 Å R-free 0.235 |
| 8RW7 Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'StilSwitch1 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
23–127（105 aa）
|
Not recorded | A1H3J 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7~{H}-purine-2,6-dione × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；0.1 M Sodium citrate pH 5, 0.05 M Sodium thiocyanate, 3% (v/v)
2-methyl-2,4-pentanediol, 32% (v/v) PEG 400, 1 mM Theophylline
|
Resolution 2.25 Å R-free 0.214 |
| 8RWC Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'StilSwitch2 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
23–127（105 aa）
|
Not recorded | A1H3I 8-[(~{E})-2-[3,4-bis(oxidanyl)phenyl]ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione × 1 CLR CHOLESTEROL × 4 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 OLA OLEIC ACID × 19 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；0.1 M Sodium citrate pH 5, 0.05 M Sodium thiocyanate, 3% (v/v)
2-methyl-2,4-pentanediol, 32% (v/v) PEG 400, 1 mM Theophylline
|
Resolution 2.31 Å R-free 0.241 |
| 8RWD Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'StilSwitch3 Deposited 2024-02-03 | 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
23–127（105 aa）
|
Not recorded | A1H3H 1,3-diethyl-8-[(~{E})-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 26 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；0.1 M Sodium citrate pH 5, 0.05 M Sodium thiocyanate, 3% (v/v)
2-methyl-2,4-pentanediol, 32% (v/v) PEG 400, 1 mM Theophylline
|
Resolution 2.05 Å R-free 0.209 |
| 8RWE Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'StilSwitch4 Deposited 2024-02-03 | 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
23–127（105 aa）
|
Not recorded | A1H3K 1,3-diethyl-8-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 23 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；0.1 M Sodium citrate pH 5, 0.05 M Sodium thiocyanate, 3% (v/v)
2-methyl-2,4-pentanediol, 32% (v/v) PEG 400, 1 mM Theophylline
|
Resolution 2.20 Å R-free 0.227 |
| 8RWH Dark structure of the human adenosine A2A receptor bound to synthetic photoswitch 'StilSwitch2' determined by serial synchrotron crystallography Deposited 2024-02-04 | 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
23–127（105 aa）
|
Not recorded | A1H3I 8-[(~{E})-2-[3,4-bis(oxidanyl)phenyl]ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.85；293 K；0.1 M sodium potassium phosphate pH 5.85, 27-30% PEG 500 MME, 0.2 M sodium thiocyanate, 0.4 mM StilSwitch2
|
Resolution 2.45 Å R-free 0.241 |
| 8RWI Steady state structure of the human adenosine A2A receptor bound to synthetic photoswitch 'StilSwitch2' determined by serial synchrotron crystallography 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
23–127（105 aa）
|
Not recorded | A1H3I 8-[(~{E})-2-[3,4-bis(oxidanyl)phenyl]ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 17 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.85；293 K；0.1 M sodium potassium phosphate pH 5.85, 27-30% PEG 500 MME, 0.2 M sodium thiocyanate, 0.4 mM StilSwitch2
|
Resolution 2.80 Å R-free 0.317 |
| 8RWX Steady state structure of the human adenosine A2A receptor bound to synthetic photoswitch 'StilSwitch3' determined by serial synchrotron crystallography 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
23–127（105 aa）
|
Not recorded | A1H3H 1,3-diethyl-8-[(~{E})-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione × 1 OLA OLEIC ACID × 16 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.85；293 K；0.1 M sodium potassium phosphate pH 5.85, 27-30% PEG 500 MME, 0.2 M sodium thiocyanate, 0.4 mM StilSwitch3
|
Resolution 3.05 Å R-free 0.347 |
| 8T1V Crystal structure of orphan G protein-coupled receptor 6 with bound inverse agonist 3h Deposited 2023-06-04 | 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
23–128（106 aa）
|
Not recorded | XY8 3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；NaCH3COO, PEG 400, NaCl, PPG P40
|
Resolution 2.60 Å R-free 0.258 |
| 8T1W Crystal structure of orphan G protein-coupled receptor 6 with bound CVN424 Deposited 2023-06-04 | 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
23–128（106 aa）
|
Not recorded | X7T 1-{2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-{[(3R)-oxolan-3-yl]amino}-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl}ethan-1-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；NaCH3COO, PEG 400, NaCl, PPG P40
|
Resolution 3.49 Å R-free 0.322 |
| 8TB7 Cryo-EM Structure of GPR61- Deposited 2023-06-28 | 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 Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain R
23–127（105 aa）
|
Not recorded | ZOB 6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.94 Å |
| 8TF5 Crystal structure of orphan G protein-coupled receptor 6, pseudoapo form Deposited 2023-07-07 | 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
23–128（106 aa）
|
Mutation：C92L,A142P,M232W,H327I,R331L,G342R,S354C,Y383L,C408D Non-standard monomer：Yes (specific site not provided by mmCIF) | OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 5 P15 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL × 2 OLA OLEIC ACID × 12 CLR CHOLESTEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；NaCH3COO, PEG 400, NaCl, PPG P40
|
Resolution 2.10 Å R-free 0.214 |
| 8TH3 Structure of AT118-H Nanobody Antagonist in Complex with the Angiotensin II Type I Receptor Deposited 2023-07-13 | 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 × 4 PDB declaration: tetrameric |
Chain A
24–127（104 aa）
Chain B
24–127（104 aa）
|
Not recorded | Y01 CHOLESTEROL HEMISUCCINATE × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4；20 mM HEPES, pH 7.4, 100 mM NaCl, 0.05% GDN, 0.005% CHS
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 8TH4 Structure of AT118-L Nanobody Antagonist in Complex with the Angiotensin II Type I Receptor and Losartan Deposited 2023-07-13 | 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 × 4 PDB declaration: tetrameric |
Chain A
24–127（104 aa）
|
Not recorded | LSN [2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4；20 mM HEPES, pH 7.4, 100 mM NaCl, 0.05% GDN, 0.005% CHS
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.30 Å |
| 8TS1 Cryo-EM structure of human MRS2 with Mg2+ Deposited 2023-08-10 | 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 Homooligomer；Protein × 5 PDB declaration: pentameric |
Chain A
23–127（105 aa）
Chain B
23–127（105 aa）
Chain C
23–127（105 aa）
Chain D
23–127（105 aa）
Chain E
23–127（105 aa）
|
Not recorded | MG MAGNESIUM ION × 7 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8；20 mM Tris pH 8.0, 150 mM NaCl, 40 mM MgCl2 and 0.04 mM GDN
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.92 Å |
| 8TS2 Cryo-EM structure of human MRS2 with EDTA Deposited 2023-08-10 | 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 Homooligomer；Protein × 5 PDB declaration: pentameric |
Chain A
23–123（101 aa）
Chain B
23–123（101 aa）
Chain C
23–123（101 aa）
Chain D
23–123（101 aa）
Chain E
23–123（101 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8；20 mM Tris pH 8.0, 150 mM NaCl, 10 mM EDTA and 0.04 mM GDN
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.95 Å |
| 8TS3 Cryo-EM structure of human MRS2 with Ca2+ Deposited 2023-08-10 | 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 Homooligomer；Protein × 5 PDB declaration: pentameric |
Chain A
23–127（105 aa）
Chain B
23–127（105 aa）
Chain C
23–127（105 aa）
Chain D
23–127（105 aa）
Chain E
23–127（105 aa）
|
Not recorded | CA CALCIUM ION × 7 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8；20 mM Tris pH 8.0, 150 mM NaCl, 10 mM Ca2+ and 0.04 mM GDN
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.11 Å |
| 8UHB Cryo-EM Structure of the Ro5256390-bound hTA1-Gs heterotrimer signaling complex Deposited 2023-10-08 | 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
23–123（101 aa）
|
Mutation：M(-129)W, R(-14)G, Q(-3)E, F112W | WV8 (2R,4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-amine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.35 Å |
| 8UT1 Alpha7-nicotinic acetylcholine receptor bound to epibatidine Deposited 2023-10-30 | 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 Homooligomer；Protein × 5 PDB declaration: pentameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
|
Not recorded | CA CALCIUM ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 15 9Z9 (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en × 5 EPJ EPIBATIDINE × 5 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.30 Å |
| 8UTB Alpha7-nicotinic acetylcholine receptor bound to epibatidine and NS-1738 Deposited 2023-10-30 | 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 Homooligomer；Protein × 5 PDB declaration: pentameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
|
Not recorded | XG3 N-(5-chloro-2-hydroxyphenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]urea × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 EPJ EPIBATIDINE × 5 9Z9 (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en × 5 POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 5 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.30 Å |
| 8UZJ Alpha7-nicotinic acetylcholine receptor bound to epibatidine and ivermectin Deposited 2023-11-15 | 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 Homooligomer；Protein × 5 PDB declaration: pentameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
|
Not recorded | CA CALCIUM ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 9Z9 (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en × 5 EPJ EPIBATIDINE × 5 IVM (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside × 5 POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 5 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.30 Å |
| 8V80 Alpha7-nicotinic acetylcholine receptor bound to epibatidine and (-)-TQS Deposited 2023-12-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 5 PDB declaration: pentameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
|
Not recorded | CA CALCIUM ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 10 9Z9 (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en × 5 EPJ EPIBATIDINE × 5 YLR (3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide × 5 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.34 Å |
| 8V82 Alpha7-nicotinic acetylcholine receptor bound to epibatidine and PNU-120596 Deposited 2023-12-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 5 PDB declaration: pentameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
|
Not recorded | CA CALCIUM ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 15 9Z9 (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en × 5 EPJ EPIBATIDINE × 5 I34 N-(5-Chloro-2,4-dimethoxyphenyl)-N'-(5-methyl-3-isoxazolyl)-urea × 5 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.61 Å |
| 8V86 Alpha7-nicotinic acetylcholine receptor bound to GAT107 Deposited 2023-12-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 5 PDB declaration: pentameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
|
Not recorded | POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 10 9Z9 (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 YLI (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide × 5 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.47 Å |
| 8V88 Alpha7-nicotinic acetylcholine receptor bound to epibatidine and GAT107 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 Homooligomer；Protein × 5 PDB declaration: pentameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
|
Not recorded | CA CALCIUM ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 10 9Z9 (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en × 5 EPJ EPIBATIDINE × 5 YLI (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide × 5 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.30 Å |
| 8V89 Alpha7-nicotinic acetylcholine receptor time resolved resting state 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 Homooligomer；Protein × 5 PDB declaration: pentameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 R16 HEXADECANE × 5 9Z9 (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en × 5 POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 5 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.53 Å |
| 8V8A Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and PNU-120596 desensitized intermediate state 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 Homooligomer；Protein × 5 PDB declaration: pentameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
|
Not recorded | CA CALCIUM ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 15 9Z9 (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en × 5 EPJ EPIBATIDINE × 5 I34 N-(5-Chloro-2,4-dimethoxyphenyl)-N'-(5-methyl-3-isoxazolyl)-urea × 5 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.19 Å |
| 8V8C Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and PNU-120596 asymmetric state 1 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 Homooligomer；Protein × 5 PDB declaration: pentameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 10 EPJ EPIBATIDINE × 5 I34 N-(5-Chloro-2,4-dimethoxyphenyl)-N'-(5-methyl-3-isoxazolyl)-urea × 5 CA CALCIUM ION × 3 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.29 Å |
| 8V8D Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and PNU-120596 asymmetric state 2 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 Homooligomer；Protein × 5 PDB declaration: pentameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 10 EPJ EPIBATIDINE × 5 I34 N-(5-Chloro-2,4-dimethoxyphenyl)-N'-(5-methyl-3-isoxazolyl)-urea × 5 CA CALCIUM ION × 3 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.31 Å |
| 8VHF Cryo-EM structure of GPR119-Gs-Nb35 complex with small molecule agonist MBX-2982 Deposited 2024-01-01 | 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 R
23–128（106 aa）
|
Not recorded | 8VP 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(1,2,3,4-tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.51 Å |
| 8W77 Human Consensus Olfactory Receptor OR52c in apo state, OR52c only Deposited 2023-08-30 | 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
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE；blot time 3 seconds
|
Resolution 3.61 Å |
| 8W8B Cryo-EM structure of SEP-363856 bounded serotonin 1A (5-HT1A) receptor-Gi protein complex Deposited 2023-09-01 | 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 R
23–127（105 aa）
|
Not recorded | CLR CHOLESTEROL × 5 PLM PALMITIC ACID × 1 UJL 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 8W8Q Cryo-EM structure of the GPR101-Gs complex Deposited 2023-09-04 | 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 Heteromer；Protein × 5 PDB declaration: pentameric |
Chain C
23–128（106 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.89 Å |
| 8W8W Cryo-EM structure of alpha-MSH-MC3R-Gs_Nb35 complex Deposited 2023-09-04 | 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 Heteromer；Protein × 6 PDB declaration: hexameric |
Chain R
23–127（105 aa）
|
Not recorded | CA CALCIUM ION × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.90 Å |
| 8W8X Cryo-EM structure of beta-MSH-MC3R-Gs_Nb35 complex Deposited 2023-09-04 | 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 Heteromer；Protein × 6 PDB declaration: hexameric |
Chain R
23–127（105 aa）
|
Not recorded | CA CALCIUM ION × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.90 Å |
| 8W8Y Cryo-EM structure of gamma-MSH-MC3R-Gs_Nb35 complex Deposited 2023-09-04 | 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 Heteromer；Protein × 6 PDB declaration: hexameric |
Chain R
23–127（105 aa）
|
Not recorded | CA CALCIUM ION × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.90 Å |
| 8WJX ADP-bound purinergic receptor 1 in complex with miniGs/q Deposited 2023-09-26 | 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 R
23–127（105 aa）
|
Not recorded | ADP ADENOSINE-5'-DIPHOSPHATE × 1 CLR CHOLESTEROL × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å |
| 8WRZ Cry-EM structure of cannabinoid receptor-beta-arrestin-1 complex Deposited 2023-10-16 | 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 R
23–127（105 aa）
|
Mutation：M29W, H124I, T210I, E273K, T283V, R340E | 8D0 (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.60 Å |
| 8X2K OEA bound GPR3-Gs complex structure Deposited 2023-11-09 | 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 Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
23–127（105 aa）
|
Not recorded | 5YM (Z)-N-(2-hydroxyethyl)octadec-9-enamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.03 Å |
| 8X3K Cryo-EM structure of human VMAT2 in complex with serotonin. Deposited 2023-11-13 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–127（105 aa）
|
Mutation：M8W,H103I | SRO SEROTONIN × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.98 Å |
| 8X5X CryoEM structure of the histamine H1 receptor in apo-form Deposited 2023-11-20 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
23–127（105 aa）
|
Mutation：M217W,H313I | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen NITROGEN
|
Resolution 3.50 Å |
| 8X5Y CryoEM structure of the histamine H1 receptor-BRIL/Anti BRIL Fab complex with astemizole Deposited 2023-11-20 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
23–65（43 aa）
Chain B
77–127（51 aa）
|
Not recorded | XB7 1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen NITROGEN
|
Resolution 3.00 Å |
| 8X63 CryoEM structure of the histamine H1 receptor-BRIL/Anti BRIL Fab complex with mepyramine Deposited 2023-11-20 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
23–65（43 aa）
Chain B
77–127（51 aa）
|
Not recorded | Y5E mepyramine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen NITROGEN
|
Resolution 3.20 Å |
| 8X64 CryoEM structure of the histamine H1 receptor-BRIL/Anti BRIL Fab complex with desloratadine Deposited 2023-11-20 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
23–65（43 aa）
Chain B
77–127（51 aa）
|
Not recorded | Y5R desloratadine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen NITROGEN
|
Resolution 3.40 Å |
| 8XML Cryo-EM structure of the Apo CCR8-Gi complex Deposited 2023-12-27 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.58 Å |
| 8XQE Cryo-EM structure of human dimeric APJR-Gi complex with apelin-13. Deposited 2024-01-05 | 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 Heteromer；Protein × 7 PDB declaration: heptameric |
Chain Q
23–127（105 aa）
Chain R
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.48 Å |
| 8XQF Cryo-EM structure of human monomeric APJR-Gi complex with apelin-13. Deposited 2024-01-05 | 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 Heteromer；Protein × 6 PDB declaration: hexameric |
Chain R
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.13 Å |
| 8XQI Cryo-EM structure of human dimeric Apelin receptor. Deposited 2024-01-05 | Different construct Different mutation/modification 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
23–127（105 aa）
Chain B
23–127（105 aa）
|
Not recorded | CLR CHOLESTEROL × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.25 Å |
| 8XQJ Cryo-EM structure of human dimeric APJR complex with antagonistic antibody Deposited 2024-01-05 | 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 Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
23–127（105 aa）
Chain D
23–127（105 aa）
|
Not recorded | CLR CHOLESTEROL × 4 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.95 Å |
| 8XV2 Thiamine-bound human SLC19A3 Deposited 2024-01-14 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Not recorded | VIB 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.70 Å |
| 8XV5 Pyridoxamine-bound human SLC19A3 Deposited 2024-01-14 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Not recorded | PXM 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.70 Å |
| 8XV9 Fedratinib-bound human SLC19A3 Deposited 2024-01-14 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Not recorded | 2TA N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.80 Å |
| 8XVJ Cryo-EM structure of ETAR bound with Macitentan Deposited 2024-01-15 | 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 × 4 PDB declaration: tetrameric |
Chain R
23–127（105 aa）
|
Not recorded | A1D5I Macitentan × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.26 Å |
| 8XVK Cryo-EM structure of ETAR bound with Ambrisentan Deposited 2024-01-15 | 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 × 4 PDB declaration: tetrameric |
Chain R
23–127（105 aa）
|
Not recorded | A1D5J Ambrisentan × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.21 Å |
| 8XVL Cryo-EM structure of ETAR bound with Zibotentan Deposited 2024-01-15 | 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 × 4 PDB declaration: tetrameric |
Chain R
23–127（105 aa）
|
Not recorded | A1D5L Zibotentan × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.22 Å |
| 8Y6J The structure of Oryza sativa HKT1;1 Deposited 2024-02-02 | Different construct Different mutation/modification 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
23–127（105 aa）
Chain B
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.46 Å |
| 8Y6L Oryza sativa HKT1;5 salt sensitive variant Deposited 2024-02-02 | Different construct Different mutation/modification 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
23–127（105 aa）
Chain B
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.40 Å |
| 8Y6M The structure of Oryza sativa HKT2;1 Deposited 2024-02-02 | Different construct Different mutation/modification 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
23–127（105 aa）
Chain B
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.91 Å |
| 8Y6N The structure of Oryza sativa HKT1;5 salt tolerant variant Deposited 2024-02-02 | Different construct Different mutation/modification 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
23–127（105 aa）
Chain B
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.40 Å |
| 8Y6Y GLPG0974-bound human FFA2 Deposited 2024-02-03 | 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
23–127（105 aa）
|
Not recorded | A1LYD GLPG-0974 × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.36 Å |
| 8YNS Cryo-EM structure of SNAP-94847-bound MCHR1, S1 state Deposited 2024-03-11 | 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 × 4 PDB declaration: tetrameric |
Chain R
23–65（43 aa）
|
Not recorded | A1D6T ~{N}-[3-[1-[[4-[3,4-bis(fluoranyl)phenoxy]phenyl]methyl]piperidin-4-yl]-4-methyl-phenyl]-2-methyl-propanamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.33 Å |
| 8YNT Cryo-EM structure of SNAP-94847-bound MCHR1, S2 state Deposited 2024-03-11 | 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 × 4 PDB declaration: tetrameric |
Chain R
23–65（43 aa）
|
Not recorded | A1D6T ~{N}-[3-[1-[[4-[3,4-bis(fluoranyl)phenoxy]phenyl]methyl]piperidin-4-yl]-4-methyl-phenyl]-2-methyl-propanamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.43 Å |
| 8YRG CryoEM structure of fospropofol-bound MRGPRX4-Gq complex Deposited 2024-03-21 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | A1LZU [2,6-di(propan-2-yl)phenoxy]methyl dihydrogen phosphate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 3.14 Å |
| 8YZK Orphan receptor GPRC5D in complex with scFv150-18 Deposited 2024-04-07 | 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
22–128（107 aa）
Chain B
22–128（107 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.40 Å |
| 8Z74 Cryo-EM structure of APJR complex with agonistic antibody Deposited 2024-04-19 | 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 C
23–127（105 aa）
Chain D
23–127（105 aa）
|
Not recorded | CLR CHOLESTEROL × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.01 Å |
| 8Z7J Cryo-EM structure of APJR-Gi complex with agonistic antibody Deposited 2024-04-20 | 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 × 6 PDB declaration: hexameric |
Chain R
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.12 Å |
| 8ZBB Cryo-EM structure of outward state Anhydromuropeptide permease (AmpG) G50W/L269W Deposited 2024-04-26 | 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
23–127（105 aa）
|
Mutation：G50W/L269W | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.11 Å |
| 8ZBI Cryo-EM structure of Somatostatin receptor 3 (SSTR3) with Gi1 complex Deposited 2024-04-26 | 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 D
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.79 Å |
| 8ZBJ Cryo-EM structure of Somatostatin receptor 5 (SSTR5) with Gi1 complex Deposited 2024-04-26 | 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 R
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.94 Å |
| 8ZFK Caenorhabditis elegans ACR-23 in betaine and monepantel bound state Deposited 2024-05-08 | 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 × 5 PDB declaration: pentameric |
Chain A
23–127（105 aa）
Chain B
23–127（105 aa）
Chain C
23–127（105 aa）
Chain D
23–127（105 aa）
Chain E
23–127（105 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 A1D8E ~{N}-[(2~{S})-2-cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzamide × 5 BET TRIMETHYL GLYCINE × 5 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.64 Å |
| 8ZFL Caenorhabditis elegans ACR-23 in apo state Deposited 2024-05-08 | 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 × 5 PDB declaration: pentameric |
Chain A
23–127（105 aa）
Chain B
23–127（105 aa）
Chain C
23–127（105 aa）
Chain D
23–127（105 aa）
Chain E
23–127（105 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.61 Å |
| 8ZFM Caenorhabditis elegans ACR-23 in betaine bound state Deposited 2024-05-08 | 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 × 5 PDB declaration: pentameric |
Chain A
23–127（105 aa）
Chain B
23–127（105 aa）
Chain C
23–127（105 aa）
Chain D
23–127（105 aa）
Chain E
23–127（105 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 BET TRIMETHYL GLYCINE × 5 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.96 Å |
| 8ZFZ cryo-EM structure of Gs-coupled zebrafish GPR4 at pH 6.5 Deposited 2024-05-08 | 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 R
22–128（107 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 6.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.30 Å |
| 8ZMF Crystal structure of an inverse agonist antipsychotic drug derivative-bound 5-HT2C Deposited 2024-05-23 | 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
23–128（106 aa）
|
Mutation：M29W,H124I,R128L,C360N | A1L10 1-[(4-fluorophenyl)methyl]-1-[(8~{S})-5-methyl-5-azaspiro[2.5]octan-8-yl]-3-[[4-(2-methylpropoxy)phenyl]methyl]urea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；18-24% PEG300, 40-60 mM ammonium phosphate dibasic
|
Resolution 3.60 Å R-free 0.285 |
| 8ZMG Crystal structure of an inverse agonist antipsychotic drug pimavanserin-bound 5-HT2A Deposited 2024-05-23 | 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
23–62（40 aa）
Chain A
88–128（41 aa）
|
Mutation：S162K,M164W,M29W,H124I,R128L,R315G Mutation：S162K,M164W,M29W,H124I,R128L,R315G | A1L11 Pimavanserin × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6；293 K；32-38%PEG300, 40-60mM lithium chloride
|
Resolution 3.40 Å R-free 0.328 |
| 8ZMG Crystal structure of an inverse agonist antipsychotic drug pimavanserin-bound 5-HT2A Deposited 2024-05-23 | 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
23–62（40 aa）
Chain B
88–128（41 aa）
|
Mutation：S162K,M164W,M29W,H124I,R128L,R315G Mutation：S162K,M164W,M29W,H124I,R128L,R315G | A1L11 Pimavanserin × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6；293 K；32-38%PEG300, 40-60mM lithium chloride
|
Resolution 3.40 Å R-free 0.328 |
| 8ZPL Cryo-EM strucutre of CXCR4 complexed with antagonist HF51116 Deposited 2024-05-30 | 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 × 2 PDB declaration: dimeric |
Chain R
23–127（105 aa）
|
Not recorded | CLR CHOLESTEROL × 2 A1D8K (2S)-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-(diaminomethylideneamino)-2-(pyridin-2-ylmethylamino)pentanamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.01 Å |
| 8ZPM Cryo-EM strucutre of CXCR4 complexed with antagonist AMD070 Deposited 2024-05-30 | 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 × 2 PDB declaration: dimeric |
Chain R
23–127（105 aa）
|
Not recorded | A1D8L Mavorixafor × 1 CLR CHOLESTEROL × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å |
| 8ZPN Cryo-EM strucutre of CXCR4 complexed with antagonist AMD3100 Deposited 2024-05-30 | 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 × 2 PDB declaration: dimeric |
Chain R
23–127（105 aa）
|
Not recorded | CLR CHOLESTEROL × 1 VH6 Plerixafor × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.31 Å |
| 8ZRN Structure of abt Deposited 2024-06-04 | 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 Heteromer；Protein × 5 PDB declaration: pentameric |
Chain B
23–127（105 aa）
Chain D
23–127（105 aa）
Chain E
23–127（105 aa）
|
Not recorded | A1D8V 5-[[(2~{S})-azetidin-2-yl]methoxy]-2-chloranyl-pyridine × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.25 Å |
| 8ZRP Structure of nico Deposited 2024-06-05 | 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 Heteromer；Protein × 5 PDB declaration: pentameric |
Chain B
23–127（105 aa）
Chain D
23–127（105 aa）
Chain E
23–127（105 aa）
|
Not recorded | NCT (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.32 Å |
| 8ZSJ Cryo-EM structure of the apo hTAAR1-Gs complex Deposited 2024-06-05 | 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 Heteromer；Protein × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | CLR CHOLESTEROL × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.80 Å |
| 8ZSP Cryo-EM structure of the LSD-bound hTAAR1-Gs complex Deposited 2024-06-05 | 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 Heteromer；Protein × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | 7LD (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.14 Å |
| 8ZSS Cryo-EM structure of the RO5263397-bound hTAAR1-Gs complex Deposited 2024-06-05 | 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 Heteromer；Protein × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | A1D8X (4~{S})-4-(3-fluoranyl-2-methyl-phenyl)-1,3-oxazolidin-2-amine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.07 Å |
| 8ZSV Cryo-EM structure of the RO5263397-bound mTAAR1-Gs complex Deposited 2024-06-05 | 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 Heteromer；Protein × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | A1D8X (4~{S})-4-(3-fluoranyl-2-methyl-phenyl)-1,3-oxazolidin-2-amine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.96 Å |
| 8ZVZ Cryo-EM strcuture of Prostaglandin D2 Receptor DP1 activated by BW245C Deposited 2024-06-12 | 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 Heteromer；Protein × 5 PDB declaration: pentameric |
Chain D
21–127（107 aa）
|
Not recorded | A1AF8 7-{(4S)-3-[(3R)-3-cyclohexyl-3-hydroxypropyl]-2,5-dioxoimidazolidin-4-yl}heptanoic acid × 1 CLR CHOLESTEROL × 5 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.35 Å |
| 8ZW0 Cryo-EM strcuture of Prostaglandin D2 Receptor DP1 activated by PGD2 Deposited 2024-06-12 | 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 Heteromer；Protein × 5 PDB declaration: pentameric |
Chain D
21–127（107 aa）
|
Not recorded | CLR CHOLESTEROL × 2 PG2 PROSTAGLANDIN D2 × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.72 Å |
| 8ZWF cryoEM structure of JR14a bound C3aR-BRIL-BAG2 complex Deposited 2024-06-13 | 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 × 3 PDB declaration: trimeric |
Chain A
23–127（105 aa）
|
Mutation：E27Q,M29W,H124I | A1D9A (2~{S})-5-[bis(azanyl)methylideneamino]-2-[[5-[bis(4-chlorophenyl)methyl]-3-methyl-thiophen-2-yl]carbonylamino]pentanoic acid × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.3
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 8ZYT Cryo-EM structure of neurotensin receptor 1 in complex with beta-arrestin1 and SBI-553 (complex 3) Deposited 2024-06-18 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PIO [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate × 1 SRW 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.65 Å |
| 8ZYU Cryo-EM structure of neurotensin receptor 1 in complex with beta-arrestin1 and SBI-553 (complex 1) Deposited 2024-06-18 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SRW 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol × 1 PIO [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.65 Å |
| 8ZYY Cryo-EM structure of neurotensin receptor 1 in complex with beta-arrestin1 and SBI-553 (complex 2) Deposited 2024-06-18 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PIO [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate × 1 SRW 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.83 Å |
| 9BS9 Local refinement of DRD2 bound to LSD in complex with a mini-GoA and scFv16 obtained by cryo-electron microscopy (cryoEM) Deposited 2024-05-13 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain R
23–127（105 aa）
|
Not recorded | 7LD (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 2.28 Å |
| 9BSB Global reconstruction of DRD2 bound to LSD in complex with a mini-GoA and scFv16 obtained by cryo-electron microscopy (cryoEM) Deposited 2024-05-13 | 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 R
23–127（105 aa）
|
Not recorded | 7LD (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 2.32 Å |
| 9C3F Cryo-EM structure of E. coli AmpG Deposited 2024-05-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 1 PEE 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.78 Å |
| 9CAX Structure of human SLC2A9 transporter Deposited 2024-06-18 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5；4 degree cold buffer pH7.5 (300mM NaCl, 50mM Tris and 0.02% GDN)
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.37 Å |
| 9CBB Structure of urate bound human SLC2A9 transporter Deposited 2024-06-18 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–127（105 aa）
|
Not recorded | URC URIC ACID × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5；4 degree cold buffer pH7.5 (300mM NaCl, 50mM Tris and 0.02% GDN)
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.15 Å |
| 9DNG Structure of rat beta-arrestin 1 by fiducial-assisted cryo-EM Deposited 2024-09-17 | 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
23–128（106 aa）
|
Mutation：M29W, H124I, R128L | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.52 Å |
| 9DNM Structure of rat beta-arrestin 1 bound to allosteric inhibitor Deposited 2024-09-17 | 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
23–128（106 aa）
|
Mutation：M29W, H124I, R128L | ODN (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.47 Å |
| 9DVB Thermus thermophilus MreC-MreD complex with an internal MreD BRIL fusion and an anti-BRIL Fab Deposited 2024-10-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 10 PDB declaration: decameric |
Chain B
30–119（90 aa）
Fragment：BRIL domain, residues 30-119
Chain N
30–119（90 aa）
Fragment：BRIL domain, residues 30-119
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.60 Å |
| 9DVC Thermus thermophilus MreC-MreD complex with a C-terminal MreD BRIL fusion and an anti-BRIL Fab Deposited 2024-10-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 7 PDB declaration: heptameric |
Chain B
30–119（90 aa）
Fragment：BRIL domain, residues 30-119
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 7.40 Å |
| 9DYD Asenapine-bound serotonin 1A (5-HT1A) receptor-Goa protein complex Deposited 2024-10-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain R
23–128（106 aa）
Fragment：residues 1-25 of the 5-HT receptor deleted
|
Mutation：L125W | A1BIR (3aS,12bR)-asenapine × 1 CLR CHOLESTEROL × 3 J40 [(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE；Blot force 3 for 3-5 seconds was used and subsequent grids were screened for ice thickness prior to data collection.
|
Resolution 2.96 Å |
| 9DYE Buspirone-bound serotonin 1A (5-HT1A) receptor-Goa protein complex Deposited 2024-10-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain R
23–128（106 aa）
Fragment：residues 1-25 of the 5-HT receptor deleted
|
Mutation：L125W | YLX Buspirone × 1 CLR CHOLESTEROL × 2 J40 [(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE；Blot force 3 for 3-5 seconds was used and subsequent grids were screened for ice thickness prior to data collection.
|
Resolution 2.90 Å |
| 9DYF Asenapine-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex Deposited 2024-10-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain R
23–128（106 aa）
Fragment：residues 1-25 of the 5-HT receptor deleted
|
Mutation：L125W | A1BIR (3aS,12bR)-asenapine × 1 CLR CHOLESTEROL × 3 J40 [(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE；Blot force 3 for 3-5 seconds was used and subsequent grids were screened for ice thickness prior to data collection.
|
Resolution 2.74 Å |
| 9EAH Structure of nanobody AT209 in complex with the olmesartan-bound angiotensin II type I receptor (AT1R) Deposited 2024-11-11 | 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 × 4 PDB declaration: tetrameric |
Chain A
24–128（105 aa）
Chain B
24–128（105 aa）
|
Mutation：M232W, H327I, R331L Mutation：M232W, H327I, R331L | OLM Olmesartan × 1 CLR CHOLESTEROL × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.10 Å |
| 9EAI Structure of nanobody AT206 in complex with the losartan-bound angiotensin II type I receptor (AT1R) Deposited 2024-11-11 | 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 × 4 PDB declaration: tetrameric |
Chain A
24–128（105 aa）
Chain B
24–128（105 aa）
|
Mutation：M232W, H327I, R331L Mutation：M232W, H327I, R331L | LSN [2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol × 1 Y01 CHOLESTEROL HEMISUCCINATE × 2 CLR CHOLESTEROL × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.10 Å |
| 9EAJ Structure of nanobody AT206 in complex with the angiotensin II type I receptor (AT1R) Deposited 2024-11-11 | 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 × 4 PDB declaration: tetrameric |
Chain A
24–128（105 aa）
Chain B
24–128（105 aa）
|
Mutation：M232W, H327I, R331L Mutation：M232W, H327I, R331L | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å |
| 9EE5 Cryo-EM structure of the ONO2550289-bound prostaglandin D2 receptor (DP1)-bRIL-Fab complex Deposited 2024-11-18 | 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 × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
|
Not recorded | A1BIL [2-chloro-5-(2,6-dimethyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}benzamido)phenyl]acetic acid × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.89 Å |
| 9EI5 Cryo-EM structure of Apo form of prostaglandin D2 receptor (DP1)-bRIL-Fab complex Deposited 2024-11-25 | 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
23–128（106 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.84 Å |
| 9EKH Cryo-EM structure ONO3030297-bound prostaglandin D2 receptor (DP1)-bRIL-Fab complex Deposited 2024-12-02 | 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 × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 A1BI8 1-[2-chloro-5-(2,6-dimethyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}benzamido)phenyl]cyclopropane-1-carboxylic acid × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.89 Å |
| 9FUP Serial microseconds crystallography at ID29 using fixed-target (small foils): A2a adenosine receptor co-crystallised with Istradefylline Deposited 2024-06-26 | 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
23–127（105 aa）
|
Not recorded | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 11 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 JQ9 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；0.1 M tri-sodium citrate pH 5.0, 50 mM sodium thiocyanate, 29-30% (v/v) PEG 400, 1% (v/v) 1,6-hexanediol
|
Resolution 2.50 Å R-free 0.288 |
| 9GYO CryoEM structure of Gs-coupled GPBAR with small molecule agonist P395 Deposited 2024-10-02 | 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 × 5 PDB declaration: pentameric |
Chain R
23–128（106 aa）
|
Not recorded | FWX 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide × 1 CLR CHOLESTEROL × 3 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
|
Resolution 2.50 Å |
| 9H2X Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 7, a novel nanomolar A2A receptor antagonist from modern hit-finding with structure-guided de novo design Deposited 2024-10-15 | 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
23–127（105 aa）
|
Not recorded | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 21 A1IR1 4-(furan-2-yl)-6-(6-imidazol-1-ylpyridin-2-yl)-1,3,5-triazin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.l M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol and 0.5 mM theophylline.
|
Resolution 1.75 Å R-free 0.226 |
| 9H37 Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 9, a novel nanomolar A2A receptor antagonist from modern hit-finding with structure-guided de novo design Deposited 2024-10-15 | 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
23–127（105 aa）
|
Not recorded | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 21 A1IR0 2-(furan-2-yl)-7-pyridin-4-yl-pyrrolo[2,3-d]pyrimidin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.1 M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol and 0.5 mM theophylline
|
Resolution 1.72 Å R-free 0.220 |
| 9HAP Cryo-EM structure of inactive human arginine-vasopressin (AVP) V2 receptor (V2R) with tolvaptan Deposited 2024-11-04 | 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 Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain R
23–123（101 aa）
|
Not recorded | A1IT8 (R)-Tolvaptan × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.50 Å |
| 9IP5 Hemichannel sub-structure of Cx36/GJD2 gap junction intercellular channel (FN conformation) in brain polar lipid nanodiscs, treated with a 14-fold molar excess of carbenoxolone 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 Homooligomer；Protein × 6 PDB declaration: hexameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
Chain F
23–128（106 aa）
|
Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L | C14 TETRADECANE × 18 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5；20mM HEPES(pH 7.5), 150mM KCl, 2mM beta-mercaptoethanol
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.52 Å |
| 9IPM Hemichannel sub-structure of Cx36/GJD2 gap junction intercellular channel (FN conformation) in soybean polar lipid nanodiscs, treated with a 20-fold molar excess of carbenoxolone Deposited 2024-07-11 | 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 Homooligomer；Protein × 6 PDB declaration: hexameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
Chain F
23–128（106 aa）
|
Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L | MC3 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE × 12 C14 TETRADECANE × 6 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5；20mM HEPES(pH 7.5), 150mM KCl, 2mM beta-mercaptoethanol
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.56 Å |
| 9IPN Hemichannel sub-structure of Cx36/GJD2 gap junction intercellular channel (FN conformation) in soybean polar lipid nanodiscs, treated with a 10-fold molar excess of carbenoxolone and incubated shortly Deposited 2024-07-11 | 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 Homooligomer；Protein × 6 PDB declaration: hexameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
Chain F
23–128（106 aa）
|
Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L | MC3 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE × 6 C14 TETRADECANE × 6 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5；20mM HEPES(pH 7.5), 150mM KCl, 2mM beta-mercaptoethanol
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.46 Å |
| 9IPO Hemichannel sub-structure of Cx36/GJD2 gap junction intercellular channel (FN conformation) in soybean polar lipid nanodiscs, treated with a 10-fold molar excess of carbenoxolone Deposited 2024-07-11 | 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 Homooligomer；Protein × 6 PDB declaration: hexameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
Chain F
23–128（106 aa）
|
Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L | MC3 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE × 12 C14 TETRADECANE × 18 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5；20mM HEPES(pH 7.5), 150mM KCl, 2mM beta-mercaptoethanol
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.41 Å |
| 9IPY Structure of JR14a-bound human C3aR Deposited 2024-07-12 | 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: monomeric |
Chain R
23–127（105 aa）
|
Mutation：M1012W/H1107I | A1D9A (2~{S})-5-[bis(azanyl)methylideneamino]-2-[[5-[bis(4-chlorophenyl)methyl]-3-methyl-thiophen-2-yl]carbonylamino]pentanoic acid × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.50 Å |
| 9ISI Structure of human C3aR in apo state Deposited 2024-07-17 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
23–127（105 aa）
|
Mutation：M1012W/H1107I | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.56 Å |
| 9IYA Cryo-EM structure of GPR55-Fab-Nb-ONO-9710531 complex Deposited 2024-07-30 | 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 × 4 PDB declaration: tetrameric |
Chain A
23–127（105 aa）
|
Not recorded | A1L3E 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-~{N}-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1~{H}-quinoline-3-carboxamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.04 Å |
| 9IZF Cryo-EM structure of LPA1-Gi complex with LPA Deposited 2024-08-01 | 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 Heteromer；Protein × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | NKP (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.14 Å |
| 9IZG Cryo-EM structure of LPA1-Gq complex with LPA Deposited 2024-08-01 | 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 Heteromer；Protein × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | NKP (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.04 Å |
| 9IZH Cryo-EM structure of LPA1-G13 complex with LPA Deposited 2024-08-01 | 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 Heteromer；Protein × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | NKP (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.04 Å |
| 9J05 Apo state purinergic receptor P2Y14-BRIL/PPTN/1B3 Fab-4/9Glue Deposited 2024-08-02 | 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 A
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å |
| 9J0B UDP-Glucose bound purinergic receptor P2Y14 in complex with Gi Deposited 2024-08-02 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | UPG URIDINE-5'-DIPHOSPHATE-GLUCOSE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
|
Resolution 2.88 Å |
| 9J0F NADH bound purinergic receptor P2Y14 in complex with Gi Deposited 2024-08-02 | 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 × 4 PDB declaration: tetrameric |
Chain R
23–127（105 aa）
|
Not recorded | NAI 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
|
Resolution 2.76 Å |
| 9J0I UDP-Glucuronic acid bound purinergic receptor P2Y14 complex with Gi Deposited 2024-08-02 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | UGA URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
|
Resolution 2.76 Å |
| 9J31 cryo-EM structure of zebrafish GPR4-Gs complex at pH 8.5 Deposited 2024-08-07 | 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 R
22–128（107 aa）
|
Mutation：M29W, H124I, R128L | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8.5；20 mM MES (pH 6.5), 100 mM NaCl, 2 mM MgCl2, 0.0025% (w/v) LMNG, and 0.0005% (w/v) CHS.
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.05 Å |
| 9J9Z Cryo-EM structure of Outward state Anhydromuropeptide permease (AmpG) complex with GlcNAc-1,6-anhMurNAc Deposited 2024-08-23 | 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 Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
27–127（101 aa）
|
Mutation：G50W/L269W | 2YP (2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoic acid × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.97 Å |
| 9JFU Cryo-EM structure of inactive GPR4 with NE52-QQ57 Deposited 2024-09-05 | 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 Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain R
23–127（105 aa）
|
Not recorded | A1L1E NE52-QQ57 × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.23 Å |
| 9JG0 Cryo-EM structure of neuropeptide FF receptor 2 in the ligand-free state with BRIL fusion, anti-BRIL Fab, and nanobody Deposited 2024-09-05 | 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 Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain R
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.91 Å |
| 9JG1 Cryo-EM structure of Adriforant-bound Histamine receptor 4 H4R at inactive state Deposited 2024-09-05 | 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 Heteromer；Protein × 3 PDB declaration: trimeric |
Chain R
23–127（105 aa）
|
Not recorded | A1EBW Adriforant × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.2
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.62 Å |
| 9JGK cryo-EM structure of 5-Hydroxytryptamine 2B Receptor in complex with balovaptan Deposited 2024-09-07 | 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
22–127（106 aa）
|
Not recorded | A1EB7 Balovaptan × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.60 Å |
| 9JKQ Cryo-EM structure of the METH-bound hTAAR1-Gs complex Deposited 2024-09-16 | 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 R
23–128（106 aa）
|
Not recorded | B40 (2S)-N-methyl-1-phenylpropan-2-amine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.66 Å |
| 9JOZ outward-open hSLC19A1 Deposited 2024-09-25 | 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
23–128（106 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.94 Å |
| 9JRI outward-open hSLC19A1 + 5-MTHF Deposited 2024-09-29 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Not recorded | C2F 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.43 Å |
| 9JRK outward-open hSLC19A1 + MTX Deposited 2024-09-29 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Not recorded | MTX METHOTREXATE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.44 Å |
| 9JRL outward-open hSLC19A1 + PT523 Deposited 2024-09-29 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Not recorded | COP N-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-BUTYL)-PHTHALAMIC ACID × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.25 Å |
| 9JRM outward-open hSLC19A1 + 2'3'-CDAS Deposited 2024-09-29 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Not recorded | GJF (1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.34 Å |
| 9JRN outward-open hSLC19A1 + TPP Deposited 2024-09-29 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Not recorded | TPP THIAMINE DIPHOSPHATE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.74 Å |
| 9JRO Structural Insights into Selective Antagonism of PF04418948 and EP2 Prostaglandin Receptor Deposited 2024-09-29 | 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 × 4 PDB declaration: tetrameric |
Chain A
23–127（105 aa）
|
Not recorded | A1ECS PF-04418948 × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.3
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.50 Å |
| 9JRT Structural Insights into Selective Antagonism of TG6-129 and EP2 Prostaglandin Receptor Deposited 2024-09-29 | 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 × 4 PDB declaration: tetrameric |
Chain A
23–127（105 aa）
|
Not recorded | A1EC5 ~{N}-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-fluorophenyl)propanamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.3
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.28 Å |
| 9KC9 Cryo-EM structure of docked mouse bestrophin-1 in a partial open state Deposited 2024-11-01 | 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 × 5 PDB declaration: pentameric |
Chain A
23–128（106 aa）
Fragment：BRIL-3X
Chain B
23–128（106 aa）
Fragment：BRIL-3X
Chain C
23–128（106 aa）
Fragment：BRIL-3X
Chain D
23–128（106 aa）
Fragment：BRIL-3X
Chain E
23–128（106 aa）
Fragment：BRIL-3X
|
Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L | CA CALCIUM ION × 5 CL CHLORIDE ION × 10 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.10 Å |
| 9KCA Cryo-EM structure of docked mouse bestrophin-1 in a closed state Deposited 2024-11-01 | 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 × 5 PDB declaration: pentameric |
Chain A
23–128（106 aa）
Fragment：BRIL-3X
Chain B
23–128（106 aa）
Fragment：BRIL-3X
Chain C
23–128（106 aa）
Fragment：BRIL-3X
Chain D
23–128（106 aa）
Fragment：BRIL-3X
Chain E
23–128（106 aa）
Fragment：BRIL-3X
|
Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L Mutation：M29W,H124I,R128L | CA CALCIUM ION × 5 CL CHLORIDE ION × 10 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.18 Å |
| 9KFI Cryo-EM structure of the human relaxin family peptide receptor 3 in complex with relaxin-3 and G protein Deposited 2024-11-06 | 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 C
23–128（106 aa）
|
Mutation：M29W, H124I, R128L | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.91 Å |
| 9KFJ Cryo-EM structure of the compound 4-bound human relaxin family peptide receptor 3 (RXFP3)-Gi complex Deposited 2024-11-06 | 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
23–128（106 aa）
|
Mutation：M29W, H124I, R128L | IYF 1-[2-(4-chlorophenyl)ethyl]-3-[(7-ethyl-5-oxidanyl-1H-indol-3-yl)methylideneamino]guanidine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.10 Å |
| 9KFK Cryo-EM structure of the relaxin-3-bound human relaxin family peptide receptor 4 (RXFP4)-Gi complex Deposited 2024-11-06 | 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 R
23–128（106 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.95 Å |
| 9KKN Cryo-EM structure of human VAChT in complex with ACh Deposited 2024-11-14 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Mutation：M8W,H103I,R107L | ACH ACETYLCHOLINE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.72 Å |
| 9KKO Cryo-EM structure of human VAChT in apo state Deposited 2024-11-14 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Mutation：M8W,H103I,R107L | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.25 Å |
| 9KP6 Cryo-EM structure of mouse bestrophin-1 in a closed state Deposited 2024-11-22 | 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 × 5 PDB declaration: pentameric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
Chain D
23–128（106 aa）
Chain E
23–128（106 aa）
|
Not recorded | CA CALCIUM ION × 5 CL CHLORIDE ION × 10 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.18 Å |
| 9KQ5 Cryo-EM structure of human VAChT at protonated state Deposited 2024-11-25 | 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
23–128（106 aa）
|
Mutation：M8W,H103I,R107L | No recorded non-water small molecule | ELECTRON MICROSCOPY mmCIF provides none of the parsed conditions | Resolution 3.21 Å |
| 9KQ8 Cryo-EM structure of human VMAT2 in complex with valbenazine Deposited 2024-11-25 | 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
23–128（106 aa）
|
Mutation：M8W,H103I,R107L | XW7 valbenazine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.38 Å |
| 9KQA Cryo-EM structure of human VMAT2 in complex with Tetrabenazine Deposited 2024-11-25 | 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
23–128（106 aa）
|
Mutation：M8W,H103I,R107L | EBZ (3S,5R,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.28 Å |
| 9KQE Cryo-EM structure of human VMAT2 in complex with dopamine. Deposited 2024-11-25 | 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
23–128（106 aa）
|
Mutation：M8W,H103I,R107L | LDP L-DOPAMINE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 9KQM Cryo-EM structure of human VAChT in complex with VSM Deposited 2024-11-26 | 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
23–128（106 aa）
|
Mutation：M8W,H103I,R107L | No recorded non-water small molecule | ELECTRON MICROSCOPY mmCIF provides none of the parsed conditions | Resolution 3.50 Å |
| 9L3Z Cryo-EM structure of the inactive chemokine-like receptor 1 (CMKLR1) Deposited 2024-12-19 | 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
23–127（105 aa）
|
Mutation：F259D | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.90 Å |
| 9L9O Cryo-EM structure of apo GPR50 with BRIL fusion, anti-BRIL Fab, and anti-Fab Nb complex Deposited 2024-12-30 | 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 × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
|
Mutation：M29W,H124I,R128L | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.98 Å |
| 9LLG Cryo-EM structure of D1R in complex with de novo designed negative allosteric GEM targeting TM5/6/7 Deposited 2025-01-17 | 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 × 2 PDB declaration: dimeric |
Chain R
30–120（91 aa）
|
Not recorded | CLR CHOLESTEROL × 2 A1EKL Flupentixol × 1 PLM PALMITIC ACID × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.77 Å |
| 9LMO Cryo-EM structure of human apo inactive GPR4 Deposited 2025-01-19 | 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 R
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å |
| 9LMP Cryo-EM structure of antagonist-bounded inactive human GPR4 Deposited 2025-01-19 | 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 × 3 PDB declaration: trimeric |
Chain R
23–127（105 aa）
|
Not recorded | A1L1E NE52-QQ57 × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.65 Å |
| 9LRS The structure of MRGPRX4 with PSB-18061 Deposited 2025-02-01 | 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 R
23–127（105 aa）
|
Not recorded | A1L7J 4-[7-methyl-2,6-bis(oxidanylidene)-1-prop-2-ynyl-8-[2-[3-(trifluoromethyl)phenyl]ethyl]purin-3-yl]butylphosphonic acid × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 2.83 Å |
| 9LVB IAA-free AUX1 Deposited 2025-02-12 | 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 Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.97 Å |
| 9M0D Cryo-EM structure of neurotensin receptor 1 in complex with beta-arrestin 1 Deposited 2025-02-24 | 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 × 4 PDB declaration: tetrameric |
Chain R
23–127（105 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.41 Å |
| 9M8P GPR3 dimer with antagonist AF64394 Deposited 2025-03-12 | Different construct Different mutation/modification 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
23–128（106 aa）
Chain B
23–128（106 aa）
|
Not recorded | 5YM (Z)-N-(2-hydroxyethyl)octadec-9-enamide × 2 1DO 1-DODECANOL × 4 A1AJD (4Z)-oct-4-en-1-ol × 4 A1EM2 N-[(4-chloranyl-2-propan-2-yloxy-phenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5；20mM NaCl, 100mM Hepes, 0.003% LMNG, 0.001% GDN
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.42 Å |
| 9M8V dimer-GPR3-Gs complex Deposited 2025-03-13 | 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
23–128（106 aa）
Chain E
23–128（106 aa）
|
Not recorded | A1EM2 N-[(4-chloranyl-2-propan-2-yloxy-phenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine × 2 1DO 1-DODECANOL × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5；20mM NaCl, 100mM Hepes, 0.003% LMNG, 0.001% GDN
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.83 Å |
| 9MD1 Buspirone-bound serotonin 1A (5-HT1A) receptor-Gz protein complex Deposited 2024-12-05 | 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 Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain R
23–128（106 aa）
Fragment：residues 1-25 of the 5-HT receptor deleted
|
Mutation：L125W | YLX Buspirone × 1 CLR CHOLESTEROL × 4 J40 [(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE；Blot force 3 for 3-5 seconds was used and subsequent grids were screened for ice thickness prior to data collection.
|
Resolution 3.03 Å |
| 9MD1 Buspirone-bound serotonin 1A (5-HT1A) receptor-Gz protein complex Deposited 2024-12-05 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
23–128（106 aa）
Fragment：residues 1-25 of the 5-HT receptor deleted
|
Mutation：L125W | YLX Buspirone × 1 CLR CHOLESTEROL × 4 J40 [(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE；Blot force 3 for 3-5 seconds was used and subsequent grids were screened for ice thickness prior to data collection.
|
Resolution 3.03 Å |
| 9OXA CryoEM structure of Gi-coupled TAS2R43 with aristolochic acid I Deposited 2025-06-03 | 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 × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | GOQ 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 2.90 Å |
| 9P1S A2AR-BRIL in complex with ZM241385 and PGD2 Deposited 2025-06-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Not recorded | LMN Lauryl Maltose Neopentyl Glycol × 1 ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.34 Å |
| 9P1T A2AR-BRIL in complex with ZM241385 Deposited 2025-06-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Not recorded | LMN Lauryl Maltose Neopentyl Glycol × 1 ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.15 Å |
| 9PNG Co-bound structure of the H77C variant of TriCyt2 Deposited 2025-07-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
|
Not recorded | CO COBALT (II) ION × 2 CA CALCIUM ION × 3 CL CHLORIDE ION × 6 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；298 K；21% PEG 1500, 200 mM CaCl2, 100 mM MES (pH 5.5)
|
Resolution 1.97 Å R-free 0.223 |
| 9PNH Ni-bound structure of the H77C variant of TriCyt2 Deposited 2025-07-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
|
Not recorded | NI NICKEL (II) ION × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；25% PEG 1500, 200 mM CaCl2,
100 mM HEPES (pH 8.5)
|
Resolution 1.84 Å R-free 0.227 |
| 9PPM Mn-bound structure of the H77C variant of TriCyt2 Deposited 2025-07-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
Chain C
23–128（106 aa）
Chain H
23–128（106 aa）
|
Not recorded | NA SODIUM ION × 1 MN MANGANESE (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；25% PEG 1500, 200 mM NH4OAc, 100 mM HEPES (pH 8.5)
|
Resolution 2.53 Å R-free 0.291 |
| 9PPM Mn-bound structure of the H77C variant of TriCyt2 Deposited 2025-07-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain B
23–128（106 aa）
Chain E
23–128（106 aa）
Chain G
23–128（106 aa）
|
Not recorded | MN MANGANESE (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；25% PEG 1500, 200 mM NH4OAc, 100 mM HEPES (pH 8.5)
|
Resolution 2.53 Å R-free 0.291 |
| 9PPM Mn-bound structure of the H77C variant of TriCyt2 Deposited 2025-07-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain D
23–128（106 aa）
Chain F
23–128（106 aa）
Chain K
23–128（106 aa）
|
Not recorded | MN MANGANESE (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；25% PEG 1500, 200 mM NH4OAc, 100 mM HEPES (pH 8.5)
|
Resolution 2.53 Å R-free 0.291 |
| 9PPM Mn-bound structure of the H77C variant of TriCyt2 Deposited 2025-07-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain I
23–128（106 aa）
Chain J
23–128（106 aa）
Chain L
23–128（106 aa）
|
Not recorded | MN MANGANESE (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；25% PEG 1500, 200 mM NH4OAc, 100 mM HEPES (pH 8.5)
|
Resolution 2.53 Å R-free 0.291 |
| 9PPN Cu-bound structure of the H77C variant of TriCyt2 Deposited 2025-07-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
|
Not recorded | CU COPPER (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；298 K；21% PEG 1500, 200 mM CaCl2, 100 mM MES (pH 5.5)
|
Resolution 1.87 Å R-free 0.220 |
| 9PPO Zn-bound structure of the H77C variant of TriCyt2 Deposited 2025-07-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
|
Not recorded | ZN ZINC ION × 2 CA CALCIUM ION × 4 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；25% PEG 1500, 200 mM CaCl2,
100 mM HEPES (pH 8.5)
|
Resolution 1.62 Å R-free 0.223 |
| 9PPR Zn- and Bi-bound structure of the H77C variant of TriCyt2 Deposited 2025-07-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
|
Not recorded | ZN ZINC ION × 2 CL CHLORIDE ION × 5 BS3 Bismuth(III) ION × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；18% PEG 1500, 200 mM CaCl2,
100 mM HEPES (pH 8.5)
|
Resolution 1.57 Å R-free 0.225 |
| 9PPS Co- and Bi-bound structure of the H77C variant of TriCyt2 Deposited 2025-07-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
|
Not recorded | BS3 Bismuth(III) ION × 1 NA SODIUM ION × 1 CO COBALT (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；25% PEG 1500, 200 mM CaCl2,
100 mM HEPES (pH 6.5)
|
Resolution 2.00 Å R-free 0.257 |
| 9PPT Ni- and Bi-bound structure of the H77C variant of TriCyt2 Deposited 2025-07-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
|
Not recorded | BS3 Bismuth(III) ION × 1 NI NICKEL (II) ION × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；298 K；25% PEG 1500, 200 mM CaCl2, 100 mM MES (pH 5.5)
|
Resolution 1.78 Å R-free 0.267 |
| 9PQ4 Bi-bound structure of the H77C variant of TriCyt2 Deposited 2025-07-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
Chain B
23–128（106 aa）
Chain C
23–128（106 aa）
|
Not recorded | CL CHLORIDE ION × 1 NA SODIUM ION × 2 BS3 Bismuth(III) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；298 K；25% PEG 1500, 200 mM CaCl2, 100 mM MES (pH 5.5)
|
Resolution 1.48 Å R-free 0.218 |
| 9PXU Inactive-state naloxone-mu opioid receptor nanobody6 complex Deposited 2025-08-06 | 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 R
23–123（101 aa）
|
Not recorded | A1APV Naloxone × 1 NA SODIUM ION × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.40 Å |
| 9PXV Nucleotide-free naloxone-mu opioid receptor Gi1 complex Deposited 2025-08-06 | 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 R
23–123（101 aa）
|
Not recorded | CLR CHOLESTEROL × 2 A1APV Naloxone × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.02 Å |
| 9PXW Latent-state naloxone-mu opioid receptor-Gi GDPbS complex (rebound) Deposited 2025-08-06 | 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 R
23–123（101 aa）
|
Not recorded | VSN 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine × 1 A1APV Naloxone × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.80 Å |
| 9PXX Unlatched-state naloxone-mu opioid receptor-Gi GDPbS complex (rebound) Deposited 2025-08-06 | 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 R
23–123（101 aa）
|
Not recorded | VSN 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine × 1 CLR CHOLESTEROL × 2 A1APV Naloxone × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.10 Å |
| 9PXY Primed-state naloxone-mu opioid receptor-Gi GDPbS complex (rebound) Deposited 2025-08-06 | 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 R
23–127（105 aa）
|
Not recorded | CLR CHOLESTEROL × 2 A1APV Naloxone × 1 VSN 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 9PY2 Engaged-state loperamide-mu opioid receptor-Gi GDPbS complex (rebound) Deposited 2025-08-06 | 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 R
23–123（101 aa）
|
Not recorded | CLR CHOLESTEROL × 2 A1CMV 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide × 1 VSN 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.16 Å |
| 9PY3 Unlatched-state loperamide-mu opioid receptor-Gi GDPbS complex (rebound) Deposited 2025-08-06 | 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 R
23–123（101 aa）
|
Not recorded | CLR CHOLESTEROL × 2 A1CMV 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide × 1 VSN 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å |
| 9PY4 Primed-state loperamide-mu opioid receptor-Gi GDPbS complex (rebound) Deposited 2025-08-06 | 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 R
23–128（106 aa）
|
Not recorded | VSN 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine × 1 CLR CHOLESTEROL × 2 A1CMV 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.78 Å |
| 9R42 Quinpirole-bound Dopamine D3 Receptor - Gi Protein Complex Deposited 2025-05-07 | 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 R
23–127（105 aa）
|
Not recorded | A1JDS (4aR,8aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[3,4-g]quinoline × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.24 Å |
| 9TMP Crystal Structure of Native Cytochrome b562 in complex with the synthetic anti-BRIL antibody BAG2. Deposited 2025-12-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–128（128 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.1M MOPS/HEPES-Na pH 7.5, 0.03M bromide, 0.03M fluoride, 0.03M imidazole, 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD
|
Resolution 2.65 Å R-free 0.237 |
| 9U80 Cryo-EM structure of conivaptan-bound human vasopressin V2 receptor complex with Fab Deposited 2025-03-25 | 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 R
23–127（105 aa）
|
Not recorded | A1ECE Conivaptan × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.94 Å |
| 9U81 Cryo-EM structure of tolvaptan-bound human vasopressin V2 receptor complex with Fab Deposited 2025-03-25 | 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 R
23–127（105 aa）
|
Not recorded | A1ECF Tolvaptan × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.08 Å |
| 9UPU Cryo-EM strucutre of CXCR4 complexed with agonist SDV1a Deposited 2025-04-29 | 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 × 6 PDB declaration: hexameric |
Chain R
23–127（105 aa）
|
Not recorded | CLR CHOLESTEROL × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.80 Å |
| 9UPV Cryo-EM structure of CXCR4 complexed with agonist SDVX1 Deposited 2025-04-29 | 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 × 6 PDB declaration: hexameric |
Chain R
23–127（105 aa）
|
Not recorded | CLR CHOLESTEROL × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.70 Å |
| 9UVT Cryo-EM structure of bradykinin B2 receptor (B2R)-BRIL/anti BRIL SRP2070 Fab antibody complex with icatibant Deposited 2025-05-11 | 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 × 4 PDB declaration: tetrameric |
Chain A
23–128（106 aa）
|
Mutation：M258W/H353I/R357L | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
|
Resolution 3.29 Å |
| 9UVU Cryo-EM structure of bradykinin B2 receptor (B2R)-BRIL/anti BRIL SRP2070 Fab antibody complex with icatibant, focused on receptor Deposited 2025-05-11 | 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 × 2 PDB declaration: dimeric |
Chain A
23–128（106 aa）
|
Mutation：M258W/H353I/R357L | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
|
Resolution 3.69 Å |
| 9UVV Cryo-EM structure of Vasopressin receptor 2 (V2R)-BRIL/anti BRIL SRP2070 Fab antibody complex with tolvaptan Deposited 2025-05-11 | 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 × 3 PDB declaration: trimeric |
Chain A
23–128（106 aa）
|
Mutation：M243W/H338I/R342L | A1IT8 (R)-Tolvaptan × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
|
Resolution 3.02 Å |
| 9UVW Cryo-EM structure of Vasopressin receptor 2 (V2R)-BRIL/anti BRIL SRP2070 Fab antibody complex with tolvaptan, focused on receptor Deposited 2025-05-11 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Mutation：M243W/H338I/R342L | A1IT8 (R)-Tolvaptan × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
|
Resolution 2.89 Å |
| 9UVX Cryo-EM structure of Vasopressin receptor 2 (V2R)-BRIL/anti BRIL SRP2070 Fab antibody complex with OPC51803, focused on receptor Deposited 2025-05-11 | 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 Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–128（106 aa）
|
Mutation：M243W/H338I/R342L | A1L9O 2-[(5~{R})-1-(2-chloranyl-4-pyrrolidin-1-yl-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]-~{N}-propan-2-yl-ethanamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
|
Resolution 3.31 Å |
| 9UWD Cryo-EM structure of inactive-DP1 Deposited 2025-05-12 | 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: monomeric |
Chain A
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.41 Å |
| 9UY3 Anamorelin bound growth hormone secretagogue receptor in complex with Gq Deposited 2025-05-14 | 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 × 5 PDB declaration: pentameric |
Chain R
23–128（106 aa）
|
Not recorded | CLR CHOLESTEROL × 2 A1ESD 2-azanyl-N-[(2R)-1-[(3S)-3-[dimethylamino(methyl)carbamoyl]-3-(phenylmethyl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.3
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.52 Å |
| 9V2N Macimorelin bound growth hormone secretagogue receptor in complex with Gq Deposited 2025-05-20 | 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 × 6 PDB declaration: hexameric |
Chain R
23–128（106 aa）
|
Not recorded | A1EQV Macimorelin × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.3
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.63 Å |
| 9V81 cryoEM structure of HEP-50768-bound MRGPRX4-Gq complex Deposited 2025-05-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric |
Chain R
23–127（105 aa）
|
Not recorded | A1L9Y 5-[2-fluoranyl-3-[(2S)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]phenyl]-1H-1,2,3,4-tetrazole × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.63 Å |
| 9V82 Local refine map of HEP-50768-bound MRGPRX4 Deposited 2025-05-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain R
23–127（105 aa）
|
Not recorded | A1L9Y 5-[2-fluoranyl-3-[(2S)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]phenyl]-1H-1,2,3,4-tetrazole × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.56 Å |
| 9VJ5 Cryo-EM structure of 5-HT1AR-GoA in complex with gepirone Deposited 2025-06-19 | 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 × 5 PDB declaration: pentameric |
Chain R
30–127（98 aa）
|
Not recorded | A1ESA Gepirone × 1 CLR CHOLESTEROL × 2 T7M (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.69 Å |
| 9VJ6 Cryo-EM structure of 5-HT1AR-Gi3 in complex with F-15599 Deposited 2025-06-19 | 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 × 5 PDB declaration: pentameric |
Chain R
30–127（98 aa）
|
Not recorded | A1ESC (3-chloranyl-4-fluoranyl-phenyl)-[4-fluoranyl-4-[[(5-methylpyrimidin-2-yl)methylamino]methyl]piperidin-1-yl]methanone × 1 CLR CHOLESTEROL × 2 T7M (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.62 Å |
| 9VJE Cryo-EM structure of 5-HT1AR-GoA in complex with buspirone Deposited 2025-06-19 | 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 × 5 PDB declaration: pentameric |
Chain R
30–127（98 aa）
|
Not recorded | YLX Buspirone × 1 CLR CHOLESTEROL × 2 T7M (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.47 Å |
| 9VJF Cryo-EM structure of 5-HT1AR-Gi3 in complex with buspirone Deposited 2025-06-19 | 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 × 5 PDB declaration: pentameric |
Chain R
30–127（98 aa）
|
Not recorded | CLR CHOLESTEROL × 2 T7M (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate × 1 YLX Buspirone × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.70 Å |
| 9VJG Cryo-EM structure of 5-HT1AR-Gz in complex with (R)-8-OH-DPAT Deposited 2025-06-19 | 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 × 5 PDB declaration: pentameric |
Chain R
30–127（98 aa）
|
Not recorded | CLR CHOLESTEROL × 2 T7M (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate × 1 A1ESE (7~{R})-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.67 Å |
| 9VMY Cryo-EM structure of 5-HT1AR-GoA in complex with TMU4142 Deposited 2025-06-29 | 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 × 5 PDB declaration: pentameric |
Chain R
30–127（98 aa）
|
Not recorded | A1ES2 8-[3-[[(2~{S})-3-(1~{H}-indol-4-yloxy)-2-oxidanyl-propyl]amino]propyl]-8-azaspiro[4.5]decane-7,9-dione × 1 CLR CHOLESTEROL × 2 T7M (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.86 Å |
| 9VNF Cryo-EM structure of 5-HT1AR-GoA in complex with (S)-pindolol Deposited 2025-06-30 | 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 R
30–127（98 aa）
|
Not recorded | A1ES4 (2~{S})-1-(1~{H}-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol × 1 CLR CHOLESTEROL × 2 T7M (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.74 Å |
| 9VNY Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with CYM5442 Deposited 2025-07-01 | 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 F
23–128（106 aa）
|
Not recorded | A1L3G 2-[[(1~{R})-4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1~{H}-inden-1-yl]amino]ethanol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.69 Å |
| 9VNZ Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with HY-X-1011 Deposited 2025-07-01 | 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 F
23–128（106 aa）
|
Not recorded | A1ESY [(2~{S})-2-azanyl-2-[[4-[5-[4-cyclohexyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-fluoranyl-phenyl]methyl]-3-oxidanyl-propyl] dihydrogen phosphate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.79 Å |
| 9VO0 Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with Ponesimod Deposited 2025-07-01 | 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 F
23–128（106 aa）
|
Not recorded | A1ESZ (2~{Z},5~{Z})-5-[[4-[(2~{R})-2,3-bis(oxidanyl)propoxy]-3-chloranyl-phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.79 Å |
| 9VO1 Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with SAR247799 Deposited 2025-07-01 | 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 F
23–128（106 aa）
|
Not recorded | A1LYQ SAR247799 × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.97 Å |
| 9W0P CryoEM structure of T2R14 in complex with chlorhexidine and heterotrimeric G protein complex Deposited 2025-07-24 | 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 × 4 PDB declaration: tetrameric |
Chain R
23–128（106 aa）
|
Not recorded | XC9 1-[6-[azanylidene-[[azanylidene-[[(4-chlorophenyl)amino]methyl]-$l^{4}-azanyl]methyl]-$l^{4}-azanyl]hexyl]-3-[~{N}-(4-chlorophenyl)carbamimidoyl]guanidine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE；blot for 1s
|
Resolution 3.60 Å |
| 9W0Q Cryo-EM structure of T2R14 in complex with tangeretin and heterotrimeric G protein Deposited 2025-07-24 | 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 × 4 PDB declaration: tetrameric |
Chain R
23–128（106 aa）
|
Not recorded | A1EUI 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE；blot for 1s
|
Resolution 3.20 Å |
| 9W1P G6P-bound human SLC37A4 lateral dimer Deposited 2025-07-26 | Different construct Different mutation/modification 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
23–127（105 aa）
Chain B
23–127（105 aa）
|
Not recorded | G6P 6-O-phosphono-alpha-D-glucopyranose × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.40 Å |
| 9W1Q Human SLC37A4 lateral dimer Deposited 2025-07-26 | Different construct Different mutation/modification 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
23–127（105 aa）
Chain B
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å |
| 9W1R S-4048-bound human SLC37A4 monomer Deposited 2025-07-26 | 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
23–127（105 aa）
|
Not recorded | A1EUP (1~{S},3~{R},4~{R},5~{R})-1-[[(1~{R},2~{S})-2-(4-chlorophenyl)cyclopropyl]methoxy]-3-[(~{Z})-3-imidazo[4,5-b]pyridin-1-yl-3-phenyl-prop-2-enoyl]oxy-4,5-bis(oxidanyl)cyclohexane-1-carboxylic acid × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.40 Å |
| 9W32 antagonist 1-bound inactive SSTR5 structure Deposited 2025-07-28 | Different construct Different mutation/modification 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
23–127（105 aa）
Chain B
23–127（105 aa）
|
Not recorded | A1EVP 1-[2-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.59 Å |
| 9W33 S5A1-bound inactive SSTR5 structure Deposited 2025-07-28 | Different construct Different mutation/modification 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
23–127（105 aa）
Chain B
23–127（105 aa）
|
Not recorded | A1EVQ 4-[8-[(2-cyclopropyl-5-ethoxy-4-methyl-phenyl)methyl]-2-oxidanylidene-1,3,8-triazaspiro[4.5]decan-3-yl]benzoic acid × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.69 Å |
| 9W6W 5-CT-bound serotonin 5A (5-HT5A) receptor-Gi protein complex Deposited 2025-08-05 | 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 Heteromer；Protein × 5 PDB declaration: pentameric |
Chain R
22–127（106 aa）
|
Not recorded | 8K3 3-(2-azanylethyl)-1H-indole-5-carboxamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.13 Å |
| 9WYL CryoEM structure of quinol dependent Nitric Oxide Reductase with BRIL Deposited 2025-09-27 | Different construct Different mutation/modification 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
23–127（105 aa）
Chain B
23–127（105 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 4 FE FE (III) ION × 2 CA CALCIUM ION × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.40 Å |
| 9XZN Teichoic acid flippase TacF from Streptococcus pneumoniae Deposited 2025-08-27 | 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: monomeric |
Chain B
23–127（105 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.63 Å |
| 9YFU Structure of GPR61 bound to inverse agonist compound 15 Deposited 2025-09-26 | 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 R
23–127（105 aa）
|
Not recorded | A1CWB N-(5-chloro-4,6-dimethylpyrimidin-2-yl)-6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-2-methylpyridine-3-sulfonamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.08 Å |
| 9ZR7 Cryo-EM structure of NRAS(Q61K)-BRIL fusion in complex with Fab(BAG2) and Monobody(Mb24) Deposited 2025-12-19 | 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 × 3 PDB declaration: trimeric |
Chain A
29–125（97 aa）
|
Not recorded | No recorded non-water small molecule | ELECTRON MICROSCOPY mmCIF provides none of the parsed conditions | Resolution 3.28 Å |
714 other PDB entries and 822 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | C562_ECOLX |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 1–106； UniProt 23–128 Author chain B； PDBConstruct 1–106； UniProt 23–128 |
