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8du3

Crystal structure of A2AAR-StaR2-bRIL in complex with compound 21a

Method: X-RAY DIFFRACTION Dmax: 106.6 Å Quality: REASONABLE
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Adenosine receptor A2a, soluble cytochrome b562 chimera,Soluble cytochrome b562,Adenosine receptor A2a

Homo sapiens

UniProt P0ABE7

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain A； UniProt 23–128 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

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 8DU3 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 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 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 mutation/modification Different 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 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 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 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 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 mutation/modification Different 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 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 mutation/modification Different 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 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 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 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 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 mutation/modification Different 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 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 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 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 mutation/modification Different 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 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 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 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 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 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 mutation/modification Different 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 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 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 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 mutation/modification Different 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 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 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 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 mutation/modification 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 mutation/modification 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 mutation/modification 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 oligomeric state 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 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 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 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 mutation/modification 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 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 oligomeric state 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 mutation/modification 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 mutation/modification 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 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 oligomeric state 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 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 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 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 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 mutation/modification 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 mutation/modification 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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 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 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 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 mutation/modification 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 mutation/modification 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 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 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 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 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 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 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 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 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 mutation/modification 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 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 oligomeric state 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 mutation/modification 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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
5UNF XFEL structure of human angiotensin II type 2 receptor (Monoclinic form) in complex with compound 1 (N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]) Deposited 2017-01-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 23–128（106 aa） Fragment：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
Mutation：M1007W, H1102I, R1106L 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
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 ligand/ion Different experimental conditions 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 oligomeric state 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 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 mutation/modification 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 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 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 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 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 mutation/modification Different 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 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 mutation/modification Different 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 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 mutation/modification Different 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 mutation/modification Different 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 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 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 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 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 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 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 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 mutation/modification Different 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 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 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 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 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 oligomeric state 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 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 mutation/modification 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 mutation/modification 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 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 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 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 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 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 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 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 mutation/modification 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 mutation/modification Different 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 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 mutation/modification Different 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 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 mutation/modification Different 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 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 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 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 mutation/modification Different 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 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 mutation/modification Different 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 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 mutation/modification Different 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 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 mutation/modification Different 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 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 mutation/modification Different 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 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 mutation/modification Different 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 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 mutation/modification Different 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 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 mutation/modification 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 mutation/modification Different 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 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 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 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 mutation/modification Different 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 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 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 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 mutation/modification Different 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 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 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 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 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 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 mutation/modification 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 mutation/modification 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 oligomeric state 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 mutation/modification 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 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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 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 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 oligomeric state 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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 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 mutation/modification 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 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 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 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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 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 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 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 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 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 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 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 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 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 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 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 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 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 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 oligomeric state 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 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 oligomeric state 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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 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 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 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 mutation/modification 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 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 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 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 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 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 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 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 mutation/modification 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 mutation/modification 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 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 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 mutation/modification 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 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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 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 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 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 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 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain 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 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
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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain 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 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 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 mutation/modification 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 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 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 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 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 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 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 mutation/modification 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 mutation/modification 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 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 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 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 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 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 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 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 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 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 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 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 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 mutation/modification 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 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 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 mutation/modification 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 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 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 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 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 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 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 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 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 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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 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 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 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 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 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 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 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 mutation/modification 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 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 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 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 mutation/modification 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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 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 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 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 mutation/modification 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 mutation/modification 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 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 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 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 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 mutation/modification 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 mutation/modification 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 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 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 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 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 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 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 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 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 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 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 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 234–339； UniProt 23–128

Adenosine receptor A2a, soluble cytochrome b562 chimera,Soluble cytochrome b562,Adenosine receptor A2a

Homo sapiens

UniProt P29274

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain A； UniProt 2–208 Chain A； UniProt 219–316 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

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 8DU3 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 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
2YDO Thermostabilised HUMAN A2a Receptor with adenosine bound Deposited 2011-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–317（317 aa） Fragment：RESIDUES 1-317
Mutation：YES ADN ADENOSINE × 1 SOG octyl 1-thio-beta-D-glucopyranoside × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.6；0.05 M TRISHCL, PH 7.6, 9.6% PEG 200, 22.9%. PEG 300
Resolution 3.00 Å R-free 0.269
2YDV Thermostabilised HUMAN A2a Receptor with NECA bound Deposited 2011-03-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–317（317 aa） Fragment：RESIDUES 1-317
Mutation：YES NEC N-ETHYL-5'-CARBOXAMIDO ADENOSINE × 1 SOG octyl 1-thio-beta-D-glucopyranoside × 5 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.4；0.05 M ADA NAOH, PH 6.4, 23.6% V/V PEG 400, 4% V/V 2-PROPANOL.
Resolution 2.60 Å R-free 0.258
3EML The 2.6 A Crystal Structure of a Human A2A Adenosine Receptor bound to ZM241385. Deposited 2008-09-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 222–316（95 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 STE STEARIC ACID × 5 SO4 SULFATE ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；293 K；PEG400 30%v/v, LiSO4 185mM, NaCitrate 100mM, pH 6.5, Lipidic mesophase, temperature 293K
Resolution 2.60 Å R-free 0.231
3PWH Thermostabilised Adenosine A2A Receptor Deposited 2010-12-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–317（317 aa） Fragment：residues 1-317
Mutation：A54L T88A K122A V239A R107A L202A L235A S277A 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 VAPOR DIFFUSION, SITTING DROP；pH 8.1；277 K；32-42% PEG1000, 0.25M MgCl2, 0.3% NG, 0.1%(w/v) 1-Butanol, 0.05% CYMAL-6, pH 8.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 3.30 Å R-free 0.316
3QAK Agonist bound structure of the human adenosine A2a receptor Deposited 2011-01-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 222–316（95 aa）
Not recorded 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 × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 5；293 K；PEG400 30%v/v, MgCl2 200mM, pH 5.0, Lipidic cubic phase, temperature 293K
Resolution 2.71 Å R-free 0.273
3REY Thermostabilised adenosine A2A receptor in complex with XAC Deposited 2011-04-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–317（317 aa） Fragment：residues 1-317
Mutation：A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A XAC N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.2；277 K；32-42% PEG1000, 0.25M MGCL2, 0.3% NG, 0.1%(W/V) 1-BUTANOL, 0.05% CYMAL-6, 0.1M TRIS-HCL(PH 8.1), VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 3.31 Å R-free 0.319
3RFM Thermostabilised adenosine A2A receptor in complex with caffeine Deposited 2011-04-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–317（317 aa） Fragment：residues 1-317
Mutation：A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A CFF CAFFEINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.2；277 K；32-42% PEG1000, 0.25M MGCL2, 0.3% NG, 0.1%(W/V) 1-BUTANOL, 0.05% CYMAL-6, 0.1M TRIS-HCL,, pH 8.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 3.60 Å R-free 0.311
3UZA Thermostabilised Adenosine A2A receptor in complex with 6-(2,6-Dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine Deposited 2011-12-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–317（317 aa） Fragment：residues 1-317
Mutation：A54L T88A R107A K122A L202A L235A V239A S277A T4G 6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；32-42% PEG1000, 0.25M MGCL2, 0.3% NG, 0.1%(W/V) 1-BUTANOL, 0.05% CYMAL-6, 0.1M TRIS-HCL, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 3.27 Å R-free 0.335
3UZC Thermostabilised Adenosine A2A receptor in complex with 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol Deposited 2011-12-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–317（317 aa） Fragment：residues 1-317
Mutation：A54L T88A R107A K122A L202A L235A V239A S277A T4E 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；32-42% PEG1000, 0.25M MGCL2, 0.3% NG, 0.1%(W/V) 1-BUTANOL, 0.05% CYMAL-6, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 3.34 Å R-free 0.290
3VG9 Crystal structure of human adenosine A2A receptor with an allosteric inverse-agonist antibody at 2.7 A resolution Deposited 2011-08-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–316（316 aa） Fragment：UNP residues 1-316
Mutation：N154Q 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 STE STEARIC ACID × 6 LMT DODECYL-BETA-D-MALTOSIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；30% PEG 400, 0.1M MES, 0.2M magnesium chloride, 0.5% octhyl thioglucoside, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.70 Å R-free 0.246
3VGA Crystal structure of human adenosine A2A receptor with an allosteric inverse-agonist antibody at 3.1 A resolution Deposited 2011-08-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–316（316 aa） Fragment：UNP residues 1-316
Mutation：N154Q 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 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；30% PEG 400, 0.1M MES, 0.2M magnesium chloride, 0.5% octhyl thioglucoside , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.10 Å R-free 0.263
4EIY Crystal structure of the chimeric protein of A2aAR-BRIL in complex with ZM241385 at 1.8A resolution Deposited 2012-04-06 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 aa）
Mutation：M215W, H310I, R314L 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
4UG2 Thermostabilised HUMAN A2a Receptor with CGS21680 bound Deposited 2015-03-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–317（317 aa）
Mutation：YES OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 NGI 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 0.1M ADA, PH7.0, 21.6% PEG 600, 10% CHS
Resolution 2.60 Å R-free 0.271
4UG2 Thermostabilised HUMAN A2a Receptor with CGS21680 bound Deposited 2015-03-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–317（317 aa）
Mutation：YES OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 NGI 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 0.1M ADA, PH7.0, 21.6% PEG 600, 10% CHS
Resolution 2.60 Å R-free 0.271
4UHR Thermostabilised HUMAN A2a Receptor with CGS21680 bound Deposited 2015-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–317（317 aa）
Mutation：YES NGI 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 0.05 M ACETATE-HCL (PH4.8), 6% SUCROSE, 21.9% PENTHAETHYLENE GLYCOL
Resolution 2.60 Å R-free 0.312
5G53 Structure of the adenosine A2A receptor bound to an engineered G protein Deposited 2016-05-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–308（308 aa）
Mutation：YES NEC N-ETHYL-5'-CARBOXAMIDO ADENOSINE × 1 SOG octyl 1-thio-beta-D-glucopyranoside × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；0.1 M NAOAC PH 5.5, 10% PEG 2000 (IN THE PRESENCE OF CHS); OR 0.1 M NAOAC PH 5.7, 9.5% PEG 2000 MME (IN THE ABSENCE OF CHS)
Resolution 3.40 Å R-free 0.315
5G53 Structure of the adenosine A2A receptor bound to an engineered G protein Deposited 2016-05-19 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 1–308（308 aa）
Mutation：YES NEC N-ETHYL-5'-CARBOXAMIDO ADENOSINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；0.1 M NAOAC PH 5.5, 10% PEG 2000 (IN THE PRESENCE OF CHS); OR 0.1 M NAOAC PH 5.7, 9.5% PEG 2000 MME (IN THE ABSENCE OF CHS)
Resolution 3.40 Å R-free 0.315
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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–318（100 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 ; 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–315（97 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 ; 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–315（97 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 ; 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–315（97 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 ; 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–315（97 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 ; 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 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 ;
Chain A 219–316（98 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 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
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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–318（100 aa）
Mutation：A54L, T88A, R107A, K122A, N154A, L202A,M1007W,L235A, V239A, S277A, G318A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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 ; 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 234–318（85 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 ; 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
5NLX A2A Adenosine receptor room-temperature structure determined by serial millisecond crystallography Deposited 2017-04-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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 ; 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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 ; 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 218–318（101 aa）
Mutation：A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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 ; 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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 ; 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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 ; 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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 ; 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
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 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–208（208 aa）
Chain A 219–316（98 aa）
Mutation：M1007W, H1102I, R1106L,M1007W, H1102I, R1106L,M1007W, H1102I, R1106L 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–208（208 aa）
Chain A 219–316（98 aa）
Mutation：M1007W, H1102I, R1106L,M1007W, H1102I, R1106L,M1007W, H1102I, R1106L 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
5UVI Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation Deposited 2017-02-20 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa） Fragment：UNP P29274 residues 2-208 and 219-316 linked by UNP P0ABE7 residues 23-128
Chain A 219–316（98 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
5WF5 Agonist bound human A2a adenosine receptor with D52N mutation at 2.60 A resolution Deposited 2017-07-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 222–316（95 aa）
Mutation：R1012G C1054T C1097A I1137R Mutation：R1012G C1054T C1097A I1137R 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 × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；296 K；100 mM sodium citrate pH 5, 24-27% (v/v) polyethylene glycol (PEG) 400, 30-80 mM MgCl 2 , 5% (v/v) Jeffamine M-600 pH 7 (Hampton)
Resolution 2.60 Å R-free 0.251
5WF6 Agonist bound human A2a adenosine receptor with S91A mutation at 2.90 A resolution Deposited 2017-07-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 222–316（95 aa）
Mutation：R1012G, C1054T, C1097A, I1137R Mutation：R1012G, C1054T, C1097A, I1137R 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 × 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 sodium citrate pH 5, 24-27% (v/v) polyethylene glycol (PEG) 400, 30-80 mM MgCl 2 , 5% (v/v) Jeffamine M-600 pH 7 (Hampton)
Resolution 2.90 Å R-free 0.288
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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 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 ;
Chain A 219–316（98 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 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
6GDG Cryo-EM structure of the adenosine A2A receptor bound to a miniGs heterotrimer Deposited 2018-04-23 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 × 5 PDB declaration: pentameric
Chain A 8–316（309 aa） Fragment：UNP residues 37-144,UNP residues 8-316
Not recorded NEC N-ETHYL-5'-CARBOXAMIDO ADENOSINE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.11 Å
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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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 ; 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
6JZH Structure of human A2A adenosine receptor in complex with ZM241385 obtained from SFX experiments under atmospheric pressure Deposited 2019-05-02 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 aa）
Mutation：N154Q,M29W,H124I,R128L 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
6LPJ A2AR crystallized in EROCOC17+4, LCP-SFX at 277 K Deposited 2020-01-10 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 aa）
Mutation：M29W, H124I, R128L 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 aa）
Mutation：M29W, H124I, R128L 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 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
6MH8 High-viscosity injector-based Pink Beam Serial Crystallography of Micro-crystals at a Synchrotron Radiation Source Deposited 2018-09-17 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 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
6PS7 XFEL A2aR structure by ligand exchange from LUF5843 to ZM241385. Deposited 2019-07-12 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 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
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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：ADORA2A,ADORA2A,ADORA2A 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
6WQA 2.0A angstrom A2a adenosine receptor structure using XFEL data collected in helium atmosphere. Deposited 2020-04-28 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 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
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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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
7EZC Adenosine A2a receptor mutant-I92N Deposited 2021-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–208（207 aa）
Chain A 219–308（90 aa）
Chain B 2–208（207 aa）
Chain B 219–308（90 aa）
Mutation：I92N,M1007W Mutation：I92N,M1007W 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
7IN1 Crystal structure of A2A in complex with TEP for 21h Deposited 2025-08-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A 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
7PX4 Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2113 Deposited 2021-10-07 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 aa）
Mutation：S91K 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 aa）
Mutation：S91K 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 mutation/modification 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 2–208（207 aa）
Chain A 219–316（98 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
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 ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 8–208（201 aa）
Chain A 219–302（84 aa）
Mutation：YES 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
8A2O Room-temperature structure of the stabilised A2A-Theophylline complex determined by synchrotron serial crystallography Deposited 2022-06-06 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 aa）
Mutation：A54L,T88A,R107A,K122A,L202A,L235A,V239A6,S277A,N154A 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 aa）
Mutation：A54L,T88A,R107A,K122A,L202A,L235A,V239A6,S277A,N154A 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Mutation：A54L,T88A,K122A,V239A,R107A,L202A,L235A 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 aa）
Mutation：yes 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 aa）
Mutation：S277A 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
8FYN MicroED structure of A2A from plasma milled lamellae Deposited 2023-01-26 Different construct Different mutation/modification 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 2–208（207 aa）
Chain A 218–316（99 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 aa）
Mutation：N154Q,M1007W,H1102I,R1106L 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
8GNG Crystal structure of human adenosine A2A receptor in complex with istradefylline. Deposited 2022-08-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–316（316 aa）
Mutation：A54L, T88A, K122A, N154Q, V239A JQ9 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 CL CHLORIDE ION × 1 K POTASSIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 7；293.15 K；PEGMME 500, potassium citrate tribasic, HEPES
Resolution 3.20 Å R-free 0.277
8GNG Crystal structure of human adenosine A2A receptor in complex with istradefylline. Deposited 2022-08-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain X 1–316（316 aa）
Mutation：A54L, T88A, K122A, N154Q, V239A JQ9 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 CL CHLORIDE ION × 1 K POTASSIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 7；293.15 K；PEGMME 500, potassium citrate tribasic, HEPES
Resolution 3.20 Å R-free 0.277
8JWY Crystal structure of A2AR-T4L in complex with 2-118 Deposited 2023-06-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 222–316（95 aa）
Mutation：C54T,C97A Mutation：C54T,C97A VBF 3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile × 1 CLR CHOLESTEROL × 1 OLA OLEIC ACID × 18 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 6.8；291 K；100 mM sodium cacodylate trihydrate pH 6.8, 200 mM sodium tartrate dibasic dihydrate, 30% PEG 400
Resolution 2.33 Å R-free 0.245
8JWZ Crystal structure of A2AR-T4L in complex with AB928 Deposited 2023-06-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 222–316（95 aa）
Mutation：C54T,C97A Mutation：C54T,C97A OLA OLEIC ACID × 18 NA SODIUM ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 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 PEG DI(HYDROXYETHYL)ETHER × 1 CLR CHOLESTEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.6；291 K；100 mM sodium cacodylate trihydrate pH 6.6, 120 mM ammonium tartrate dibasic, 32% PEG 40
Resolution 2.37 Å R-free 0.240
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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–318（100 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
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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 218–316（99 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–316（98 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
8RVW Dark structure of the human adenosine A2A receptor bound to synthetic photoswitch "StilSwitch3" determined by serial synchrotron crystallography Deposited 2024-02-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 aa）
Not recorded OLA OLEIC ACID × 20 A1H3H 1,3-diethyl-8-[(~{E})-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione × 1 CLR CHOLESTEROL × 3 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 2.65 Å R-free 0.233
8RW0 Crystal structure of the adenosine A2A receptor in complex with Istradefylline Deposited 2024-02-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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
8UGW Computational design of highly signaling active membrane receptors through de novo solvent-mediated allosteric networks Deposited 2023-10-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–322（321 aa） Fragment：residues 2-322
Not recorded NGI 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 7；295 K；100mM Hepes pH 7 + 27% PEG 300 + 50mM Sodium Potassium Tartrate
Resolution 3.90 Å R-free 0.330
8WDT Crystal structure of the human adenosine A2A receptor in complex with photoresponsive ligand photoNECA(blue) Deposited 2023-09-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–316（315 aa）
Not recorded WCH (2S,3S,4R,5R)-5-(6-amino-2-((E)-phenyldiazenyl)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6；293 K；0.1 M Sodium citrate, 0.005-0.03 M Magnesium chloride hexahydrate, 0.15 M Sodium chloride, 27.5-29.0% PEG500DME
Resolution 3.34 Å R-free 0.266
9EE8 Cryo-EM structure of the adenosine A2A receptor intermediate bound to a miniGs heterotrimer 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 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 2–316（315 aa）
Mutation：V229C, R291A ADN ADENOSINE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.63 Å
9EE9 Cryo-EM structure of the adenosine A2A receptor intermediate bound to a miniGs heterotrimer 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 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 2–316（315 aa）
Mutation：V229C, R291A ADN ADENOSINE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.16 Å
9EEA Cryo-EM structure of the adenosine A2A receptor intermediate bound to a miniGs heterotrimer 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 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 2–316（315 aa）
Mutation：V229C, R291A ADN ADENOSINE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.36 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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
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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–208（207 aa）
Chain A 219–317（99 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
9P1S A2AR-BRIL in complex with ZM241385 and PGD2 Deposited 2025-06-10 Different construct Different mutation/modification 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 1–209（209 aa）
Chain A 221–317（97 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 ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–209（209 aa）
Chain A 221–317（97 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
9T9P Adenosine receptor A2a (A2AR)-beta-lactamase fusion bound to beta-lactamase inhibitory protein II (BLIPII) and ZM241385 Deposited 2025-11-24 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 × 2 PDB declaration: dimeric
Chain B 2–214（213 aa）
Chain B 220–316（97 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 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å

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

View Construct and Data Evidence
UniProt name AA2AR_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 27–233； UniProt 2–208 Author chain A； PDBConstruct 340–437； UniProt 219–316

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

SAXS scattering curve SAXS Profile

SAXS profile for 8du3

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 8du3
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2. Structure Basics 2. Structure Basics

Entry ID entry_id8du3
Deposition date deposition_date2022-07-26
Structure title titleCrystal structure of A2AAR-StaR2-bRIL in complex with compound 21a
Keywords keywordsGPCR, LCP, Antagonists, Alzheimer, Parkinson, MEMBRANE PROTEIN; MEMBRANE PROTEIN
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier30.55 Å
Radius of gyration Rg (electron density) rg_electron29.44 Å
Forward intensity I(0) i027450800.00
Molecular weight molecular_weight48504.0 kDa
Excluded volume excluded_volume64201 ų
Envelope volume envelope_volume77330 ų
Hydration-shell volume shell_volume24878 ų
Envelope diameter envelope_diameter112.4 Å
Shell Rg shell_rg32.41 Å
Envelope Rg envelope_rg29.74 Å
Shape Rg shape_rg29.41 Å
Total Rg total_rg29.89 Å
Total atoms total_atoms3415
Residues n_residues390
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax106.6 Å
Rg (real space) rg_real31.08 Å
Rg uncertainty (real space) rg_real_error1.35 Å
I(0) (real space) i0_real2.7450e+07
I(0) uncertainty (real space) i0_real_error4.8580e+05
Rg (reciprocal space) rg_reciprocal30.85 Å
I(0) (reciprocal space) i0_reciprocal27450000.0000
Solution quality estimate total_estimate0.7319
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary22.5 Å
Skewness Skewness skewness0.634
Kurtosis Kurtosis kurtosis-0.274
Angular range angular_range— – 0.2600 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha3516000.0000
Real-space data points n_real_points53
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.597; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.317; Smooth: 0.402
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (6)

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8. Citations (1)

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9. Files and Curves (10)