Soluble cytochrome b562,Melanocortin receptor 3,Fusion protein
Homo sapiens
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Insufficient information Heteromer Protein × 6 PDB declaration: hexameric(6) Consistent with protein copy count | Chain R; UniProt 23–127 | Not recorded | Gama-MSH × 1 Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 × 1 (P54311) Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 × 1 (P63212) Nanobody35 × 1 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short × 1 (P63092) CA CALCIUM ION × 1 | ELECTRON MICROSCOPY cryo-EM buffer:pH 7.5 cryo-EM vitrification conditions:Cryogen ETHANE | Resolution 2.90 Å |
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 8W8Y | 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 3 PDB declaration: trimeric |
Chain R
23–127(105 aa)
|
Not recorded | A1DAM N-[(3-{[3-(5-chlorothiophene-2-sulfonamido)-4-methoxy-1H-indazol-1-yl]methyl}phenyl)methyl]-2-hydroxy-2-methylpropanamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.90 Å |
| 1APC SOLUTION STRUCTURE OF APOCYTOCHROME B562 Deposited 1993-10-14 | Different construct Different 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 method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric |
Chain B
23–128(106 aa)
Chain D
23–128(106 aa)
|
Mutation:F61I, F65Y, R106L Mutation:F61I, F65Y, R106L | MG MAGNESIUM ION × 3 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 8.5;302 K;30% polyethylene glycol 4000, 0.1M MgCl2, 0.1M Tris HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 302K
|
Resolution 2.70 Å R-free 0.333 |
| 1M6T CRYSTAL STRUCTURE OF B562RIL, A REDESIGNED FOUR HELIX BUNDLE Deposited 2002-07-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M7W,H102I,R106L | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 9;298 K;3.2 M NH4(SO4), 2.44 mM N-octanoylsucrose, 0.1 M Bicine, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.81 Å R-free 0.248 |
| 1QPU SOLUTION STRUCTURE OF OXIDIZED ESCHERICHIA COLI CYTOCHROME B562 Deposited 1999-05-30 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 |
SOLUTION NMR
NMR measurement conditions
pH 4.8;298 K;Ionic strength (raw mmCIF value) 500 mM PHOSPHATE;Pressure AMBIENT
NMR measurement conditions
pH 4.8;298 K;Ionic strength (raw mmCIF value) 500 mM PHOSPHATE;Pressure AMBIENT
NMR measurement conditions
pH 4.8;298 K;Ionic strength (raw mmCIF value) 500 mM PHOSPHATE;Pressure AMBIENT
NMR sample composition
3 MM CYTOCHROME B562, 500 MM PHOSPHATE BUFFER, PH 4.8
NMR sample composition
3 MM CYTOCHROME B562 U-15N, 500 MM PHOSPHATE BUFFER, PH 4.8
NMR sample composition
3 MM CYTOCHROME B562, 500 MM PHOSPHATE BUFFER, PH 4.8
|
Resolution not provided |
| 1QQ3 THE SOLUTION STRUCTURE OF THE HEME BINDING VARIANT ARG98CYS OF OXIDIZED ESCHERICHIA COLI CYTOCHROME B562 Deposited 1999-06-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Mutation:R98C | HEB HEME B/C × 1 |
SOLUTION NMR
NMR measurement conditions
pH 4.8;298 K;Ionic strength (raw mmCIF value) 500mM PHOSPHATE;Pressure AMBIENT
NMR measurement conditions
pH 4.8;298 K;Ionic strength (raw mmCIF value) 500mM PHOSPHATE;Pressure AMBIENT
NMR sample composition
3MM R98C CYTOCHROME B562; 500MM PHOSPHATE BUFFER; 90% H2O, 10% D2O
NMR sample composition
2.5MM R98C CYTOCHROME B562; 500MM PHOSPHATE BUFFER; 90% H2O, 10% D2O
|
Resolution not provided |
| 22EM Gi bound kappa-opioid receptor in complex with beta01 Deposited 2026-01-08 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain F
23–127(105 aa)
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.86 Å |
| 24XY P2Y13R-Gq complex bound to ADP Deposited 2026-03-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 6 PDB declaration: hexameric |
Chain R
23–128(106 aa)
|
Mutation:mutation | No recorded non-water small molecule | ELECTRON MICROSCOPY mmCIF provides none of the parsed conditions | Resolution 3.00 Å |
| 24XZ P2Y14R-Gi complex bound to UDP Deposited 2026-03-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
23–128(106 aa)
|
Mutation:mutation | No recorded non-water small molecule | ELECTRON MICROSCOPY mmCIF provides none of the parsed conditions | Resolution 2.93 Å |
| 256B IMPROVEMENT OF THE 2.5 ANGSTROMS RESOLUTION MODEL OF CYTOCHROME B562 BY REDETERMINING THE PRIMARY STRUCTURE AND USING MOLECULAR GRAPHICS Deposited 1990-01-16 | Different construct Different 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 | SO4 SULFATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.40 Å |
| 256B IMPROVEMENT OF THE 2.5 ANGSTROMS RESOLUTION MODEL OF CYTOCHROME B562 BY REDETERMINING THE PRIMARY STRUCTURE AND USING MOLECULAR GRAPHICS Deposited 1990-01-16 | Different construct Different oligomeric state Different ligand/ion Different experimental method 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 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 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 oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 2 PDB declaration: dimeric |
Chain B
22–128(107 aa)
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.79 Å |
| 2BC5 Crystal structure of E. coli cytochrome b562 with engineered c-type heme linkages Deposited 2005-10-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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: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 method Different experimental conditions Different structure-quality metrics | Assembly 10 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric |
Chain B
23–128(106 aa)
Chain D
23–128(106 aa)
|
Mutation:K59W, R98C, Y101C Mutation:K59W, R98C, Y101C | SO4 SULFATE ION × 4 HEC HEME C × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5;298 K;70% ammonium sulfate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.25 Å R-free 0.277 |
| 2BC5 Crystal structure of E. coli cytochrome b562 with engineered c-type heme linkages Deposited 2005-10-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–128(106 aa)
|
Mutation:K59W, R98C, Y101C | SO4 SULFATE ION × 3 HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5;298 K;70% ammonium sulfate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.25 Å R-free 0.277 |
| 2BC5 Crystal structure of E. coli cytochrome b562 with engineered c-type heme linkages Deposited 2005-10-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain C
23–128(106 aa)
|
Mutation:K59W, R98C, Y101C | SO4 SULFATE ION × 4 HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5;298 K;70% ammonium sulfate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.25 Å R-free 0.277 |
| 2BC5 Crystal structure of E. coli cytochrome b562 with engineered c-type heme linkages Deposited 2005-10-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 method 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 method 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 method 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 method 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 method 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 method 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 method 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 method 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 method 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 method 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 method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric |
Chain A
23–128(106 aa)
Chain D
23–128(106 aa)
|
Mutation:K59H, D73H, K77H, R98C, Y101C Mutation:K59H, D73H, K77H, R98C, Y101C | CU COPPER (II) ION × 2 CA CALCIUM ION × 3 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;293 K;100 mM Hepes, 25% PEG 3350, 200 mM CaCl2, 17.8 mM CuSO4, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.72 Å R-free 0.244 |
| 3DE9 Crystal Structure of a Trimeric Cytochrome cb562 Assembly Induced by Nickel Coordination Deposited 2008-06-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 method 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 method 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 method 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 method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein homooligomer Homooligomer;Protein × 3 PDB declaration: trimeric |
Chain J
23–128(106 aa)
Chain K
23–128(106 aa)
Chain L
23–128(106 aa)
|
Mutation:K59C, R62A, H63A, K77H, R98C, Y101C Mutation:K59C, R62A, H63A, K77H, R98C, Y101C Mutation:K59C, R62A, H63A, K77H, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 3 PXX N-1,10-phenanthrolin-5-ylacetamide × 3 NI NICKEL (II) ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;293 K;25% PEG2000, 0.2 M NaCl, 0.1 M TRIS, 3.3 mM NiCl2, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.40 Å R-free 0.268 |
| 3FOP A Triangular Cytochrome b562 Superstructure Mediated by Ni Coordination - Hexagonal Form Deposited 2008-12-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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: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 method 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 method 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 method 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 method 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 method 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 method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric |
Chain A
23–128(106 aa)
Chain B
23–128(106 aa)
|
Mutation:R34A, L38A, Q41W, K42S, D66W, V69I Mutation:R34A, L38A, Q41W, K42S, D66W, V69I | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7;293 K;26% PEG 2000, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.10 Å R-free 0.271 |
| 3HNK Crystal structure of the dimeric assembly of the cyt cb562 variant RIDC-1 Deposited 2009-05-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–128(106 aa)
|
Mutation:R34A, L38A, Q41W, K42S, D66W, V69I | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7;293 K;26% PEG 2000, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.10 Å R-free 0.271 |
| 3HNK Crystal structure of the dimeric assembly of the cyt cb562 variant RIDC-1 Deposited 2009-05-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 method 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 method 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 method 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 method 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 method 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 method 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 method 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 method 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 method 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 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)
|
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 method 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 method 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 method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer;Protein × 4 PDB declaration: tetrameric |
Chain E
23–128(106 aa)
Chain F
23–128(106 aa)
Chain G
23–128(106 aa)
Chain H
23–128(106 aa)
|
Mutation:R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation:R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation:R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C Mutation:R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, T96C, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 4 ZN ZINC ION × 4 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.10 Å R-free 0.271 |
| 3NMI Crystal structure of the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7;298 K;2.8 M sodium acetate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.01 Å R-free 0.235 |
| 3NMI Crystal structure of the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–128(106 aa)
|
Mutation:W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7;298 K;2.8 M sodium acetate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.01 Å R-free 0.235 |
| 3NMI Crystal structure of the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain C
23–128(106 aa)
|
Mutation:W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7;298 K;2.8 M sodium acetate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.01 Å R-free 0.235 |
| 3NMI Crystal structure of the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain D
23–128(106 aa)
|
Mutation:W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7;298 K;2.8 M sodium acetate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.01 Å R-free 0.235 |
| 3NMI Crystal structure of the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 5 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain E
23–128(106 aa)
|
Mutation:W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7;298 K;2.8 M sodium acetate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.01 Å R-free 0.235 |
| 3NMI Crystal structure of the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 6 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain F
23–128(106 aa)
|
Mutation:W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7;298 K;2.8 M sodium acetate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.01 Å R-free 0.235 |
| 3NMJ Crystal structure of a nickel mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;298 K;30% PEG 400, 0.1 M Tris, 0.2 ammonium sulfate, 6.2 mM nickel sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 3.10 Å R-free 0.238 |
| 3NMJ Crystal structure of a nickel mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–128(106 aa)
|
Mutation:W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 NI NICKEL (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;298 K;30% PEG 400, 0.1 M Tris, 0.2 ammonium sulfate, 6.2 mM nickel sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 3.10 Å R-free 0.238 |
| 3NMJ Crystal structure of a nickel mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain C
23–128(106 aa)
|
Mutation:W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 NI NICKEL (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;298 K;30% PEG 400, 0.1 M Tris, 0.2 ammonium sulfate, 6.2 mM nickel sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 3.10 Å R-free 0.238 |
| 3NMJ Crystal structure of a nickel mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain D
23–128(106 aa)
|
Mutation:W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;298 K;30% PEG 400, 0.1 M Tris, 0.2 ammonium sulfate, 6.2 mM nickel sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 3.10 Å R-free 0.238 |
| 3NMK Crystal structure of a zinc mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;298 K;0.1 M Tris, 0.2 M ammonium sulfate, 30% PEG 400, 12.4 mM zinc chloride, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.80 Å R-free 0.233 |
| 3NMK Crystal structure of a zinc mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–128(106 aa)
|
Mutation:W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;298 K;0.1 M Tris, 0.2 M ammonium sulfate, 30% PEG 400, 12.4 mM zinc chloride, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.80 Å R-free 0.233 |
| 3NMK Crystal structure of a zinc mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain C
23–128(106 aa)
|
Mutation:W59C, R62A, H63A, D66A, R98C, Y101C | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PXX N-1,10-phenanthrolin-5-ylacetamide × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;298 K;0.1 M Tris, 0.2 M ammonium sulfate, 30% PEG 400, 12.4 mM zinc chloride, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.80 Å R-free 0.233 |
| 3NMK Crystal structure of a zinc mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 Deposited 2010-06-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 method 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 method 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 method 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 method 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 method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer;Protein × 4 PDB declaration: tetrameric |
Chain A
23–128(106 aa)
Fragment:Soluble cytochrome b562
Chain B
23–128(106 aa)
Fragment:Soluble cytochrome b562
Chain C
23–128(106 aa)
Fragment:Soluble cytochrome b562
Chain D
23–128(106 aa)
Fragment:Soluble cytochrome b562
|
Mutation:D73H, K77H, R98C, Y101C, K27E, D28K, T31E, R34L, L38A, Q41L, H59R, D66A, V69M, L76A Mutation:D73H, K77H, R98C, Y101C, K27E, D28K, T31E, R34L, L38A, Q41L, H59R, D66A, V69M, L76A Mutation:D73H, K77H, R98C, Y101C, K27E, D28K, T31E, R34L, L38A, Q41L, H59R, D66A, V69M, L76A Mutation:D73H, K77H, R98C, Y101C, K27E, D28K, T31E, R34L, L38A, Q41L, H59R, D66A, V69M, L76A | HEM PROTOPORPHYRIN IX CONTAINING FE × 4 ZN ZINC ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;pH 6;298 K;8 mM ZnCl2 and 200 mM BISTRIS, pH 6, VAPOR DIFFUSION, temperature 298K
|
Resolution 2.30 Å R-free 0.286 |
| 3U8P Cytochrome b562 integral fusion with EGFP Deposited 2011-10-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:F64L Non-standard monomer:Yes (specific site not provided by mmCIF) | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;pH 6.4;0.1 M MES/NAOH, PH 6.4, 200 MM magnesium acetate and 20% (W/V) PEG 8000; for cryoprotection 16% glycerol was added to the reservoir buffer, VAPOR DIFFUSION
|
Resolution 2.75 Å R-free 0.242 |
| 3U8P Cytochrome b562 integral fusion with EGFP Deposited 2011-10-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–128(106 aa)
|
Mutation:F64L Non-standard monomer:Yes (specific site not provided by mmCIF) | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;pH 6.4;0.1 M MES/NAOH, PH 6.4, 200 MM magnesium acetate and 20% (W/V) PEG 8000; for cryoprotection 16% glycerol was added to the reservoir buffer, VAPOR DIFFUSION
|
Resolution 2.75 Å R-free 0.242 |
| 3U8P Cytochrome b562 integral fusion with EGFP Deposited 2011-10-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 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)
|
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 method 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 method Different experimental conditions Different structure-quality metrics | Assembly 3 Insufficient information Homooligomer;Protein × 2 PDB declaration: dimeric |
Chain A
23–128(106 aa)
Chain B
23–128(106 aa)
|
Mutation:M29W, H124I, K128L Mutation:M29W, H124I, K128L | 0NN 1-benzyl-N-[3-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-D-prolinamide × 2 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 OLA OLEIC ACID × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipidic Cubic Phase (LCP);pH 6.4;293 K;25-30% (v/v) PEG 400,
100 to 200 mM potassium sodium tartrate tetrahydrate,
100 mM BIS-TRIS propane pH 6.4 , Lipidic Cubic Phase (LCP), temperature 293K
|
Resolution 3.01 Å R-free 0.288 |
| 4EIY Crystal structure of the chimeric protein of A2aAR-BRIL in complex with ZM241385 at 1.8A resolution Deposited 2012-04-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M215W, H310I, R314L | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 16 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 PEG DI(HYDROXYETHYL)ETHER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5;293 K;25-28% (v/v) PEG 400, 0.04-0.06M sodium thiocyanate, 2% (v/v) 2,5-hexanediol, 100mM sodium citrate, pH 5.0, Lipid Cubic Phase (LCP), temperature 293K
|
Resolution 1.80 Å R-free 0.213 |
| 4IAQ Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with dihydroergotamine (PSI Community Target) Deposited 2012-12-07 | Different construct Different mutation/modification Different 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)
|
Mutation:L138W, M29W, H124I, R128L | 2GM Dihydroergotamine × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipid Cubic Phase (LCP);pH 8.7;293 K;100 mM Tris pH 8.7, 32-36% (v/v) PEG400, 90 mM sodium citrate tribasic dihydrate, 120 mM ammonium sulfate
, Lipid Cubic Phase (LCP), temperature 293K
|
Resolution 2.80 Å R-free 0.257 |
| 4IAR Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target) Deposited 2012-12-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:L138W, M29W, H124I, R128L | ERM Ergotamine × 1 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipid Cubic Phase (LCP);pH 7.5;293 K;100 mM Tris pH 7.5, 30% (v/v) PEG400, 400 mM lithium chloride
, Lipid Cubic Phase (LCP), temperature 293K
|
Resolution 2.70 Å R-free 0.261 |
| 4IB4 Crystal structure of the chimeric protein of 5-HT2B-BRIL in complex with ergotamine Deposited 2012-12-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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: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 method 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 method 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 method 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 method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer;Protein × 2 PDB declaration: dimeric |
Chain A
23–127(105 aa)
Fragment:BRIL
Chain B
23–127(105 aa)
Fragment:BRIL
|
Mutation:M7W, H101I, R107L Mutation:M7W, H101I, R107L | 1KS 4-fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 5 OLA OLEIC ACID × 3 PEG DI(HYDROXYETHYL)ETHER × 2 PGE TRIETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipidic Cubic Phase (LCP);pH 7.8;293 K;100 mM HEPES, pH 7.8, 70 mM ammonium fluoride, 32% (v/v) PEG400, 4% 8% (v/v) P400, Lipidic Cubic Phase (LCP), temperature 293K
|
Resolution 2.45 Å R-free 0.231 |
| 4L6R Structure of the class B human glucagon G protein coupled receptor Deposited 2013-06-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
Fragment:UNP residues 23-128 and 123-434
|
Mutation:M7W, H102I, R106L | PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6;293 K;100 mM MES pH 6.0, 140-200 mM NaK tartrate tetrahydrate, 9-17% (v/v) PEG 400, 0.35-0.55% (v/v) Jeffamine M-600 pH 7.0, 200 uM NNC0640, Lipidic Cubic Phase (LCP), temperature 293K
|
Resolution 3.30 Å R-free 0.339 |
| 4N6H 1.8 A Structure of the human delta opioid 7TM receptor (PSI Community Target) Deposited 2013-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
Fragment:UNP P0ABE7 residues 23-128, UNP P41143 residues 36-338
|
Mutation:M1007W, H1102I, R1106L, P37S | OLA OLEIC ACID × 12 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 5 PGE TRIETHYLENE GLYCOL × 3 TLA L(+)-TARTARIC ACID × 1 EJ4 (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LCP;293 K;31-34% (v/v) PEG 400, 0.095 to 0.12 M K/Na tartrate, 5% (v/v) ethylene glycol, 100 mM MES buffer at pH 6.1-6.2, LCP, temperature 293K
|
Resolution 1.80 Å R-free 0.190 |
| 4NC3 Crystal structure of the 5-HT2B receptor solved using serial femtosecond crystallography in lipidic cubic phase. Deposited 2013-10-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
Fragment:BRIL
|
Mutation:M7W | PLM PALMITIC ACID × 1 ERM Ergotamine × 1 CLR CHOLESTEROL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 PEG DI(HYDROXYETHYL)ETHER × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 OLA OLEIC ACID × 3 DGA DIACYL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipidic Cubic Phase (LCP);pH 8;293 K;100mM Tris/HCl pH8.0, 20-80mM MgCl2 and 30% (v/v) PEG400 , Lipidic Cubic Phase (LCP), temperature 293K
|
Resolution 2.80 Å R-free 0.270 |
| 4NTJ Structure of the human P2Y12 receptor in complex with an antithrombotic drug Deposited 2013-12-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:D294N, M1007W, H1102I, R1106L | AZJ ethyl 6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyano-2-methylpyridine-3-carboxylate × 1 CLR CHOLESTEROL × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;0.05-0.15M ammonium formate, 0.1M sodium cacodylate, pH 6.0-6.5, 25-35% PEG 400, 200M AZD1283, Lipidic Cubic Phase, temperature 293K
|
Resolution 2.62 Å R-free 0.246 |
| 4O9R Human Smoothened Receptor structure in complex with cyclopamine Deposited 2014-01-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 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)
|
Mutation:M7W, H102I, R106L Mutation:M7W, H102I, R106L | FM9 4-fluoro-N-methyl-N-{4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl}benzamide × 2 CLR CHOLESTEROL × 6 OLA OLEIC ACID × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 PO4 PHOSPHATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipidic Cubic Phase (LCP);pH 7;293 K;100mM HEPES (pH 7.0), 27-30% (v/v) PEG 400, 80-120mM (NH4)2HPO4, 4-8mM TCEP, Lipidic Cubic Phase (LCP), temperature 293K
|
Resolution 2.80 Å R-free 0.268 |
| 4PXZ Crystal structure of P2Y12 receptor in complex with 2MeSADP Deposited 2014-03-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M1007W/H1102I/R1106L/D294N | 6AD 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate) × 1 CLR CHOLESTEROL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipidic cubic phase (LCP);pH 5;293 K;30-40% PEG 400, 0.30-0.45M ammonium acetate, citrate, 3% v/v 1-Propanol, 0.1 M sodium citrate, pH 5.0, Lipidic cubic phase (LCP), temperature 293.0K
|
Resolution 2.50 Å R-free 0.230 |
| 4PY0 Crystal structure of P2Y12 receptor in complex with 2MeSATP Deposited 2014-03-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:D294N, M1007W, H1102I, R1106L | 6AT 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate) × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipidic cubic phase (LCP);pH 6;293 K;35-40% PEG 400, 0.15-0.20M ammonium tartrate, 4% v/v MPD, 0.1M sodium citrate, pH 6.0, Lipidic cubic phase (LCP), temperature 293.0K
|
Resolution 3.10 Å R-free 0.265 |
| 4QIM Structure of the human smoothened receptor in complex with ANTA XV Deposited 2014-05-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer;Protein × 2 PDB declaration: dimeric |
Chain A
23–128(106 aa)
Fragment:UNP Q99835 residues 190-433, P0ABE7 residues 23-128, Q99835 residues 441-555
|
Mutation:M1007W, H1102I, R1106L | SG8 3-chloro-4,7-difluoro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
Lipidic Cubic Phase (LCP);pH 6;293 K;100mM MgSO4, 100mM MES pH6.0, 30% PEG400, 2-3% Polypropylene glycol P 400, Lipidic Cubic Phase (LCP), temperature 293K
|
Resolution 2.60 Å R-free 0.260 |
| 4RWA Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target) Deposited 2014-12-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric |
Chain A
23–128(106 aa)
|
Mutation:M29W, H124I, R138L,M29W, H124I, R138L | OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 6;293 K;25-28% (v/v) PEG 400, 0.12 to 0.2 M NaCl, 100 mM MES buffer at pH 6.0, 1 mM DIPP-NH2 and 5% (v/v) of either one of the following additives: 30% glycerol, 1.0 M glycine or 0.01M L-glutathione reduced/0.01M L-glutathione oxidized, Lipidic cubic phase, temperature 293K
|
Resolution 3.28 Å R-free 0.273 |
| 4RWA Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target) Deposited 2014-12-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric |
Chain B
23–128(106 aa)
|
Mutation:M29W, H124I, R138L,M29W, H124I, R138L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 6;293 K;25-28% (v/v) PEG 400, 0.12 to 0.2 M NaCl, 100 mM MES buffer at pH 6.0, 1 mM DIPP-NH2 and 5% (v/v) of either one of the following additives: 30% glycerol, 1.0 M glycine or 0.01M L-glutathione reduced/0.01M L-glutathione oxidized, Lipidic cubic phase, temperature 293K
|
Resolution 3.28 Å R-free 0.273 |
| 4RWD XFEL structure of the human delta opioid receptor in complex with a bifunctional peptide Deposited 2014-12-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric |
Chain A
23–128(106 aa)
|
Mutation:M29W, H124I, R138L,M29W, H124I, R138L | OLA OLEIC ACID × 3 NA SODIUM ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 6;293 K;0.1M MES pH 6.0, 10-180mM Lithium citrate, 30-32% (v/v) PEG400, Lipidic cubic phase, temperature 293K
|
Resolution 2.70 Å R-free 0.238 |
| 4RWD XFEL structure of the human delta opioid receptor in complex with a bifunctional peptide Deposited 2014-12-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 method 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 method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer;Protein × 4 PDB declaration: tetrameric |
Chain A
23–128(106 aa)
Fragment:UNP residues 23-128
|
Mutation:R34A, L38A, Q41W, K42S, E57G, K59H, D66W, V69I, D73H, K77H, A89H, T96C, R98C, A100H, Y101C, K104A, | HEC HEME C × 4 CA CALCIUM ION × 20 ZN ZINC ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;298 K;27% (+/-)-2-methyl-2,4-pentanediol 400 in 100 mM Bis-Tris (pH 6.5) with 0.2M CaCl2 and 20 mM ampicillin
|
Resolution 2.80 Å R-free 0.285 |
| 4YAY XFEL structure of human Angiotensin Receptor Deposited 2015-02-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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: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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–64(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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–64(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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–64(42 aa)
Fragment:unp residues 2-232; unp residues 23-64; unp residues 78-127; unp residues 249-327
Chain A
78–127(50 aa)
Fragment:unp residues 2-232; unp residues 23-64; unp residues 78-127; unp residues 249-327
|
Mutation:M1007W, H1102I, R1106L Mutation:M1007W, H1102I, R1106L | ON3 1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropan ecarboxylic acid × 1 1WV (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1 M sodium citrate
(pH 5.5), 34 - 38% (v/v) PEG400 and 200 mM ammonium acetate
|
Resolution 2.90 Å R-free 0.292 |
| 4ZUD Crystal Structure of Human Angiotensin Receptor in Complex with Inverse Agonist Olmesartan at 2.8A resolution. Deposited 2015-05-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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: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 method 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 method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer;Protein × 4 PDB declaration: tetrameric |
Chain A
23–128(106 aa)
Chain B
23–128(106 aa)
|
Mutation:T96C, D73H, K77H, R98C, Y101C, K27E, D28K, T31E, R34L, L38A, Q41L, H59R, D66A, V69M, L76A Mutation:T96C, D73H, K77H, R98C, Y101C, K27E, D28K, T31E, R34L, L38A, Q41L, H59R, D66A, V69M, L76A | HEM PROTOPORPHYRIN IX CONTAINING FE × 4 ZN ZINC ION × 14 |
X-RAY DIFFRACTION
X-ray crystallization conditions
BATCH MODE;pH 7.5;298 K;50-fold excess of zinc chloride
|
Resolution 2.46 Å R-free 0.292 |
| 5DHG The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with C-35 (PSI Community Target) Deposited 2015-08-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M1007W, H1102I, R1106L | DGV 1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide × 1 OLA OLEIC ACID × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 7.5;293 K;25-35% (V/V) PEG400, 130-200 MM POTASSIM SODIUM TARTRATE TETRAHYDRATE, 100 MM BIS-TRIS PROPANE, PH 6.4, LIPIDIC CUBIC PHASE, TEMPERATURE 293K
|
Resolution 3.00 Å R-free 0.275 |
| 5DHG The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with C-35 (PSI Community Target) Deposited 2015-08-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 method Different experimental conditions Different structure-quality metrics | Assembly 3 Insufficient information Homooligomer;Protein × 2 PDB declaration: dimeric |
Chain A
23–128(106 aa)
Chain B
23–128(106 aa)
|
Mutation:M1007W, H1102I, R1106L Mutation:M1007W, H1102I, R1106L | DGV 1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide × 2 OLA OLEIC ACID × 5 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 7.5;293 K;25-35% (V/V) PEG400, 130-200 MM POTASSIM SODIUM TARTRATE TETRAHYDRATE, 100 MM BIS-TRIS PROPANE, PH 6.4, LIPIDIC CUBIC PHASE, TEMPERATURE 293K
|
Resolution 3.00 Å R-free 0.275 |
| 5DHH The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with SB-612111 (PSI Community Target) Deposited 2015-08-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M1007W, H1102I, R1106L | OLA OLEIC ACID × 5 DGW (5S,7S)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 6.4;293 K;25-35% (V/V) PEG400, 130-200 MM POTASSIM SODIUM TARTRATE TETRAHYDRATE, 100 MM BIS-TRIS PROPANE, PH 6.4, LIPIDIC CUBIC PHASE, TEMPERATURE 293K
|
Resolution 3.00 Å R-free 0.279 |
| 5DHH The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with SB-612111 (PSI Community Target) Deposited 2015-08-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 method Different experimental conditions Different structure-quality metrics | Assembly 3 Insufficient information Homooligomer;Protein × 2 PDB declaration: dimeric |
Chain A
23–128(106 aa)
Chain B
23–128(106 aa)
|
Mutation:M1007W, H1102I, R1106L Mutation:M1007W, H1102I, R1106L | OLA OLEIC ACID × 7 DGW (5S,7S)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 6.4;293 K;25-35% (V/V) PEG400, 130-200 MM POTASSIM SODIUM TARTRATE TETRAHYDRATE, 100 MM BIS-TRIS PROPANE, PH 6.4, LIPIDIC CUBIC PHASE, TEMPERATURE 293K
|
Resolution 3.00 Å R-free 0.279 |
| 5IU4 Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with ZM241385 at 1.7A resolution Deposited 2016-03-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:;A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A ; | NA SODIUM ION × 1 ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 20 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES pH 5.5, 0.2M K/Na tartrate, 27.5-40% PEG400, 0.5-1% (v/v) (+/-)-2-methyl-2,4-pentanediol
|
Resolution 1.72 Å R-free 0.200 |
| 5IU7 Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12c at 1.9A resolution Deposited 2016-03-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:;A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A ; | NA SODIUM ION × 1 6DY 2-(furan-2-yl)-N~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 18 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;0.lM tri-sodium citrate pH 5.3-5.4, 0.05M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol
|
Resolution 1.90 Å R-free 0.198 |
| 5IU8 Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12f at 2.0A resolution Deposited 2016-03-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:;A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A ; | NA SODIUM ION × 1 6DZ 2-(furan-2-yl)-N~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine × 1 HTO HEPTANE-1,2,3-TRIOL × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 19 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES pH 5.5, 0.2M K/Na tartrate, 33.5% PEG400, 0.5% (v/v) 1,2,3-heptanetriol
|
Resolution 2.00 Å R-free 0.200 |
| 5IUA Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12b at 2.2A resolution Deposited 2016-03-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:;A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A ; | NA SODIUM ION × 1 6DX 2-(furan-2-yl)-N~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 17 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;0.lM tri-sodium citrate pH 5.3-5.4, 0.05M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol
|
Resolution 2.20 Å R-free 0.233 |
| 5IUB Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12x at 2.1A resolution Deposited 2016-03-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:;A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
Fragment:;UNP Residues 2-208,UNP Residues 23-217,UNP Residues 219-316,UNP Residues 2-208,UNP Residues 23-217,UNP Residues 219-316,UNP Residues 2-208,UNP Residues 23-217,UNP Residues 219-316
;
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 3 IOD IODIDE ION × 6 PEG DI(HYDROXYETHYL)ETHER × 2 OLA OLEIC ACID × 4 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;in meso lipidic cubic phase crystallization
|
Resolution 2.80 Å R-free 0.294 |
| 5K2A 2.5 angstrom A2a adenosine receptor structure with sulfur SAD phasing using XFEL data Deposited 2016-05-18 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 10 OLA OLEIC ACID × 10 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5;293 K;28 % (v/v) PEG 400, 40 mM sodium thiocyanate and 100 mM sodium citrate buffer pH 5.0
|
Resolution 2.50 Å R-free 0.228 |
| 5K2B 2.5 angstrom A2a adenosine receptor structure with MR phasing using XFEL data Deposited 2016-05-18 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 9 OLA OLEIC ACID × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5;293 K;28 % (v/v) PEG 400, 40 mM sodium thiocyanate and 100 mM sodium citrate buffer pH 5.0
|
Resolution 2.50 Å R-free 0.219 |
| 5K2C 1.9 angstrom A2a adenosine receptor structure with sulfur SAD phasing and phase extension using XFEL data Deposited 2016-05-18 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 10 OLA OLEIC ACID × 11 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5;293 K;28 % (v/v) PEG 400, 40 mM sodium thiocyanate and 100 mM sodium citrate buffer pH 5.0
|
Resolution 1.90 Å R-free 0.208 |
| 5K2D 1.9A angstrom A2a adenosine receptor structure with MR phasing using XFEL data Deposited 2016-05-18 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 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 method 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 method 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–127(105 aa)
|
Not recorded | VIS 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide × 1 NA SODIUM ION × 1 MPG [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 4;293 K;0.09 M sodium acetate pH4, 0.09 M sodium malonate, 27% (v/v) PEG500 DME, 0.1 M sodium acetate, 0.5 mM zinc chloride, 0.1 M ammonium fluoride.
|
Resolution 3.30 Å R-free 0.257 |
| 5MZJ Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with theophylline at 2.0A resolution Deposited 2017-01-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:A54L, T88A, R107A, K122A, N154A, L202A,M1007W,L235A, V239A, S277A, G318A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE,
27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.00 Å R-free 0.204 |
| 5MZP Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with caffeine at 2.1A resolution Deposited 2017-02-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:;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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Mutation:;A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A ; | NA SODIUM ION × 1 8JN 1-butyl-3-[(~{E})-3-oxidanylprop-1-enyl]-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 21 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 5 TAR D(-)-TARTARIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.80 Å R-free 0.229 |
| 5N2S Crystal structure of stabilized A1 receptor in complex with PSB36 at 3.3A resolution Deposited 2017-02-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Mutation: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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Mutation:;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 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:;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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Mutation:;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A ; | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 17 SCN THIOCYANATE ION × 4 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 CIT CITRIC ACID × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293.15 K;Crystal growth: 0.l M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol, 0.5 mM theophylline.
ZM241385 was subsequently added to motherliquor for the soaking experiment at a final concentration of 0.005 mM.
|
Resolution 1.87 Å R-free 0.224 |
| 5OLH Structure of the A2A-StaR2-bRIL562-Vipadenant complex at 2.6A obtained from in meso soaking experiments. Deposited 2017-07-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Mutation:A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A | 9XW ~{N}-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methyl-4-oxidanyl-piperidine-1-carboxamide × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 10 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 8 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293.15 K;Crystal growth: 0.l M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol and 0.5 mM theophylline
Tozadenant was added to the mother liquor to a concentration of 0.005 mM for the soaking experiments.
|
Resolution 3.10 Å R-free 0.245 |
| 5OLV Structure of the A2A-StaR2-bRIL562-LUAA47070 complex at 2.0A obtained from in meso soaking experiments. Deposited 2017-07-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A ; | 9Y2 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 13 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293.15 K;Crystal growth: 0.l M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol and 0.5 mM theophylline
LUAA47070 was added to the mother liquor to a concentration of 0.005 mM for the soaking experiments.
|
Resolution 2.00 Å R-free 0.208 |
| 5OLZ Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 1.9A obtained from bespoke co-crystallisation experiments. Deposited 2017-07-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A ; | T4E 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 15 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 11 TAR D(-)-TARTARIC ACID × 1 PGE TRIETHYLENE GLYCOL × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293.15 K;0.l M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol and 0.005 mM Compound 4e.
|
Resolution 1.90 Å R-free 0.196 |
| 5OM1 Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 2.1A obtained from in meso soaking experiments (1 hour soak). Deposited 2017-07-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A ; | T4E 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol × 1 NA SODIUM ION × 1 OLA OLEIC ACID × 14 CLR CHOLESTEROL × 4 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 12 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293.15 K;Crystal growth: 0.l M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol and 0.5 mM theophylline
Compound 4e was added to the mother liquor to a concentration of 0.005 mM for the soaking experiments.
|
Resolution 2.10 Å R-free 0.210 |
| 5OM4 Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 1.86A obtained from in meso soaking experiments (24 hour soak). Deposited 2017-07-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; 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 method 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 method Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Heteromer;Protein × 3 PDB declaration: trimeric |
Chain D
23–128(106 aa)
Fragment:UNP P41595 residues 36-248 and 314-405 linked by UNP P0ABE7 residues 23-128
|
Mutation:M144W, M1007W, H1102I, R1106L | ERM Ergotamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 7.7;293 K;Tris/HCL pH 7.7, 60 mM Sodium/Potassium Tartrate, 25% PEG400.
|
Resolution 3.00 Å R-free 0.247 |
| 5TVN Crystal structure of the LSD-bound 5-HT2B receptor Deposited 2016-11-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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: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 method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer;Protein × 2 PDB declaration: dimeric |
Chain A
23–127(105 aa)
Fragment:;UNP P30542 reisues 2-210, UNP P0ABE7 residues 23-127, UNP P30542 residues 228-31,UNP P30542 reisues 2-210, UNP P0ABE7 residues 23-127, UNP P30542 residues 228-31,UNP P30542 reisues 2-210, UNP P0ABE7 residues 23-127, UNP P30542 residues 228-31
;
Chain B
23–127(105 aa)
Fragment:;UNP P30542 reisues 2-210, UNP P0ABE7 residues 23-127, UNP P30542 residues 228-31,UNP P30542 reisues 2-210, UNP P0ABE7 residues 23-127, UNP P30542 residues 228-31,UNP P30542 reisues 2-210, UNP P0ABE7 residues 23-127, UNP P30542 residues 228-31
;
|
Not recorded | DU1 4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride × 2 OLA OLEIC ACID × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;100 mM Hepes pH 7.0-8.0, 28-38% PEG 300 and 500-700 mM NH4F
|
Resolution 3.20 Å R-free 0.316 |
| 5UIG Crystal structure of adenosine A2A receptor bound to a novel triazole-carboximidamide antagonist Deposited 2017-01-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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: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 method 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 method 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–128(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 method 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 construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
24–128(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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
24–128(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 method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain A
23–128(106 aa)
Fragment:UNP residues 35-242,UNP residues 246-346
|
Mutation:M1007W, H1102I, R1106L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 7;293 K;34%(v/v) PEG 300, 0.1 M HEPES pH 7.0, 0.5%(v/v) Tacsimate (pH7.0)
|
Resolution 3.20 Å R-free 0.275 |
| 5XZI Crystal structure of the Zn-directed tetramer of the engineered cyt cb562 variant, AB5 Deposited 2017-07-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer;Protein × 4 PDB declaration: tetrameric |
Chain A
23–128(106 aa)
Chain B
23–128(106 aa)
Chain C
23–128(106 aa)
Chain D
23–128(106 aa)
|
Mutation:R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, E86D, A89E, Q93H, R98C, A100H, Y101C Mutation:R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, E86D, A89E, Q93H, R98C, A100H, Y101C Mutation:R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, E86D, A89E, Q93H, R98C, A100H, Y101C Mutation:R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, K77H, E86D, A89E, Q93H, R98C, A100H, Y101C | HEC HEME C × 4 ZN ZINC ION × 14 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;298 K;45% 2-methyl-2,4-pentanediol 400,
0.1M HEPES, pH 6.5
|
Resolution 1.98 Å R-free 0.217 |
| 5YM7 Crystal Structure of B562RIL without disulfide bond Deposited 2017-10-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M7W, H102I, R106L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;292 K;NH4(SO4), Bicine , N-octanoylsucrose
|
Resolution 1.56 Å R-free 0.238 |
| 5YM7 Crystal Structure of B562RIL without disulfide bond Deposited 2017-10-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric |
Chain A
23–128(106 aa)
|
Mutation:M7W, H102I, R106L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;292 K;NH4(SO4), Bicine , N-octanoylsucrose
|
Resolution 1.56 Å R-free 0.238 |
| 5YO3 Crystal Structure of B562RIL with engineered disulfide bond V16C-A29C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M7W, V16C, A29C, H102I, R106L | SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 9;292 K;NH4(SO4), Bicine, N-octanoylsucrose
|
Resolution 1.70 Å R-free 0.188 |
| 5YO3 Crystal Structure of B562RIL with engineered disulfide bond V16C-A29C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric |
Chain A
23–128(106 aa)
|
Mutation:M7W, V16C, A29C, H102I, R106L | SO4 SULFATE ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 9;292 K;NH4(SO4), Bicine, N-octanoylsucrose
|
Resolution 1.70 Å R-free 0.188 |
| 5YO4 Crystal Structure of B562RIL with engineered disulfide bond K27C-A79C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M7W, H102I, R106L, K27C, A79C | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;292 K;3.2M NH4(SO4),
0.1M Bicine
2.44mM N-octanoylsucrose
|
Resolution 1.37 Å R-free 0.212 |
| 5YO5 Crystal Structure of B562RIL with engineered disulfide bond A20C-Q25C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M7W, H102I, R106L, A20C, Q25C | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;292 K;3.2M NH4(SO4),
0.1M Bicine
2.44mM N-octanoylsucrose
|
Resolution 2.20 Å R-free 0.267 |
| 5YO5 Crystal Structure of B562RIL with engineered disulfide bond A20C-Q25C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–128(106 aa)
|
Mutation:M7W, H102I, R106L, A20C, Q25C | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;292 K;3.2M NH4(SO4),
0.1M Bicine
2.44mM N-octanoylsucrose
|
Resolution 2.20 Å R-free 0.267 |
| 5YO5 Crystal Structure of B562RIL with engineered disulfide bond A20C-Q25C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain C
23–128(106 aa)
|
Mutation:M7W, H102I, R106L, A20C, Q25C | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;292 K;3.2M NH4(SO4),
0.1M Bicine
2.44mM N-octanoylsucrose
|
Resolution 2.20 Å R-free 0.267 |
| 5YO5 Crystal Structure of B562RIL with engineered disulfide bond A20C-Q25C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain D
23–128(106 aa)
|
Mutation:M7W, H102I, R106L, A20C, Q25C | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;292 K;3.2M NH4(SO4),
0.1M Bicine
2.44mM N-octanoylsucrose
|
Resolution 2.20 Å R-free 0.267 |
| 5YO5 Crystal Structure of B562RIL with engineered disulfide bond A20C-Q25C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 5 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain E
23–128(106 aa)
|
Mutation:M7W, H102I, R106L, A20C, Q25C | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;292 K;3.2M NH4(SO4),
0.1M Bicine
2.44mM N-octanoylsucrose
|
Resolution 2.20 Å R-free 0.267 |
| 5YO5 Crystal Structure of B562RIL with engineered disulfide bond A20C-Q25C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 6 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain F
23–128(106 aa)
|
Mutation:M7W, H102I, R106L, A20C, Q25C | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;292 K;3.2M NH4(SO4),
0.1M Bicine
2.44mM N-octanoylsucrose
|
Resolution 2.20 Å R-free 0.267 |
| 5YO5 Crystal Structure of B562RIL with engineered disulfide bond A20C-Q25C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 7 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain G
23–128(106 aa)
|
Mutation:M7W, H102I, R106L, A20C, Q25C | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;292 K;3.2M NH4(SO4),
0.1M Bicine
2.44mM N-octanoylsucrose
|
Resolution 2.20 Å R-free 0.267 |
| 5YO5 Crystal Structure of B562RIL with engineered disulfide bond A20C-Q25C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 8 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain H
23–128(106 aa)
|
Mutation:M7W, H102I, R106L, A20C, Q25C | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;292 K;3.2M NH4(SO4),
0.1M Bicine
2.44mM N-octanoylsucrose
|
Resolution 2.20 Å R-free 0.267 |
| 5YO6 Crystal Structure of B562RIL with engineered disulfide bond T9C-A36C Deposited 2017-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M7W, H102L. R106L, T9C, A36C | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;292 K;3.2M NH4(SO4),
0.1M Bicine
2.44mM N-octanoylsucrose
|
Resolution 1.20 Å R-free 0.237 |
| 6A93 Crystal structure of 5-HT2AR in complex with risperidone Deposited 2018-07-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–62(40 aa)
Chain A
88–128(41 aa)
|
Mutation:S162K, M164W, R120I, H124I, R128G, M29W Mutation:S162K, M164W, R120I, H124I, R128G, M29W | 8NU 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one × 1 CLR CHOLESTEROL × 1 ZN ZINC ION × 1 1PE PENTAETHYLENE GLYCOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;100 mM MES, pH 6.0-6.5, 28-31% (v/v) PEG 400, 120-200 mM Am-formate, 1-2% (v/v) DMSO
|
Resolution 3.00 Å R-free 0.275 |
| 6A93 Crystal structure of 5-HT2AR in complex with risperidone Deposited 2018-07-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–62(40 aa)
Chain B
88–128(41 aa)
|
Mutation:S162K, M164W, R120I, H124I, R128G, M29W Mutation:S162K, M164W, R120I, H124I, R128G, M29W | 8NU 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one × 1 CLR CHOLESTEROL × 1 PLM PALMITIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;100 mM MES, pH 6.0-6.5, 28-31% (v/v) PEG 400, 120-200 mM Am-formate, 1-2% (v/v) DMSO
|
Resolution 3.00 Å R-free 0.275 |
| 6A94 Crystal structure of 5-HT2AR in complex with zotepine Deposited 2018-07-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–62(40 aa)
Chain A
88–128(41 aa)
|
Mutation:S162K, M164W,R120I, H124I, R128G, M29W Mutation:S162K, M164W,R120I, H124I, R128G, M29W | ZOT 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine × 1 CLR CHOLESTEROL × 1 1PE PENTAETHYLENE GLYCOL × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;100 mM MES, pH 6.0, or HEPES, pH 7.0, 30% (v/v) PEG400, 100 mM Li-chloride, Na-acetate, or 14 other various salts from StockOptions Salt (Hampton Research)
|
Resolution 2.90 Å R-free 0.269 |
| 6A94 Crystal structure of 5-HT2AR in complex with zotepine Deposited 2018-07-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 method 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 method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer;Protein × 2 PDB declaration: dimeric |
Chain A
23–62(40 aa)
Chain A
85–127(43 aa)
Chain B
23–62(40 aa)
Chain B
85–127(43 aa)
|
Mutation:A173I,V185S,N217Q,S258D,C289L,N308Q,M1007W,R1098I,H1102I Mutation:A173I,V185S,N217Q,S258D,C289L,N308Q,M1007W,R1098I,H1102I Mutation:A173I,V185S,N217Q,S258D,C289L,N308Q,M1007W,R1098I,H1102I Mutation:A173I,V185S,N217Q,S258D,C289L,N308Q,M1007W,R1098I,H1102I | P2E (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid × 2 POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;buffer A (0.1 M MES-NaOH (pH 6.0), 35 % PEG300, 400 mM Na2SO4, 1% 1,2,3-heptanetriol, 0.2 mM ONO-AE3-240),
buffer B (0.1 M MES-NaOH (pH 5.5-6.0), 30-40 % PEG300, 100 mM NaCl, 100 mM Li2SO4, 1% 1,2,3-heptanetriol, 0.2 mM ONO-AE3-240),
buffer C (0.1 M MES-NaOH (pH 6.1) or 0.1 M Tris-HCl (pH 7.5-8.0), 30 % PEG500MME, 200 mM (NH4)2SO4, 1% 1,2,3-heptanetriol, 0.2 mM ONO-AE3-240), buffer D (0.1 M MES-NaOH (pH 5.8-6.1), 30 % PEG300, 100 mM MgSO4, 1% 1,2,3-heptanetriol, 0.2 mM ONO-AE3-240), buffer E (0.1 M MES-NaOH (pH 5.5), 30 % PEG300, 100 mM K2SO4, 1% 1,2,3-heptanetriol, 0.2 mM ONO-AE3-240)
|
Resolution 2.90 Å R-free 0.295 |
| 6AQF Crystal structure of A2AAR-BRIL in complex with the antagonist ZM241385 produced from Pichia pastoris Deposited 2017-08-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 method 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 method Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Heteromer;Protein × 2 PDB declaration: dimeric |
Chain B
23–128(106 aa)
Fragment:unp residues 23-128; unp residues 54-358
|
Mutation:M29W, H124I, L51R, I135L | CVV N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide × 1 CLR CHOLESTEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;100 mM Bis-tris pH 6.5-7.0, 140-200 mM magnesium sulfate hydrate, 100 mM sodium citrate tribasic dehydrate, 10 mM Manganese(II) chloride tetrahydrate, 28-30% PEG400
|
Resolution 3.10 Å R-free 0.275 |
| 6BQG Crystal structure of 5-HT2C in complex with ergotamine Deposited 2017-11-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M29W, H124I, R128L, C360N | ERM Ergotamine × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;0.1 M sodium citrate pH 6.0, 100mM (NH4)2SO4, 30% PEG400
|
Resolution 3.00 Å R-free 0.291 |
| 6BQH Crystal structure of 5-HT2C in complex with ritanserin Deposited 2017-11-27 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | 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 method 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 method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 2 PDB declaration: dimeric |
Chain B
23–128(106 aa)
Fragment:cytochrome (UNP residues 23-127) + C5a receptor (UNP residues 30-331)
|
Mutation:M29W, H124I, R128L Non-standard monomer:Yes (specific site not provided by mmCIF) | EFD avacopan × 1 MLI MALONATE ION × 2 NA SODIUM ION × 1 PGE TRIETHYLENE GLYCOL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 OLA OLEIC ACID × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 6.5;283 K;25-32% PEG300, 100 mM MES, pH6.5, 90-120 mM sodium malonate, 1% P400, 5 uM avacopan, 5 uM PMX53
|
Resolution 2.20 Å R-free 0.224 |
| 6CBV Crystal structure of BRIL bound to an affinity matured synthetic antibody. Deposited 2018-02-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 method 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 method 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 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
24–122(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 oligomeric state Different ligand/ion Different experimental method 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Not recorded | CLR CHOLESTEROL × 1 OLA OLEIC ACID × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 PO4 PHOSPHATE ION × 1 H8J (8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;100 mM Tris/HCl pH 7.3-7.5, 40-100 mM MgCl2, 30% v/v PEG400
|
Resolution 3.10 Å R-free 0.263 |
| 6DS0 Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor Deposited 2018-06-13 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | CLR CHOLESTEROL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 H8M (1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;100 mM Tris/HCl pH 8.0, 100 mM Sodium Formate, 30% v/v PEG400
|
Resolution 3.19 Å R-free 0.264 |
| 6DY4 Fe(II)-bound structure of the engineered cyt cb562 variant, CH2E Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:K59W, I67H, G70Y, Q71H, T96C, T97E, R98C, Y101C | FE FE (III) ION × 1 HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;293 K;Drop consists of 2 uL of 25% PEG 1500, and 0.1 M Tris (pH 8.5) mixed with 2 uL of 4 mM protein and 2.5 mM Iron(II) Sulfate (Anaerobic crystal growth)
|
Resolution 1.90 Å R-free 0.254 |
| 6DY4 Fe(II)-bound structure of the engineered cyt cb562 variant, CH2E Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain D
23–128(106 aa)
|
Mutation:K59W, I67H, G70Y, Q71H, T96C, T97E, R98C, Y101C | FE FE (III) ION × 1 HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;293 K;Drop consists of 2 uL of 25% PEG 1500, and 0.1 M Tris (pH 8.5) mixed with 2 uL of 4 mM protein and 2.5 mM Iron(II) Sulfate (Anaerobic crystal growth)
|
Resolution 1.90 Å R-free 0.254 |
| 6DY6 Mn(II)-bound structure of the engineered cyt cb562 variant, CH2E Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:K59W, I67H, G70Y, Q71H, T96C, T97E, R98C, Y101C | MN MANGANESE (II) ION × 2 HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;293 K;Drop consists of 1 uL of 30% PEG 400, 200 mM Ammonium Acetate and 0.1 M Tris (pH 8.5) mixed with 1 uL of 2.5 mM protein and 2 mM Manganese(II) Chloride
|
Resolution 1.80 Å R-free 0.260 |
| 6DY6 Mn(II)-bound structure of the engineered cyt cb562 variant, CH2E Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–128(106 aa)
|
Mutation:K59W, I67H, G70Y, Q71H, T96C, T97E, R98C, Y101C | HEC HEME C × 1 1PE PENTAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;293 K;Drop consists of 1 uL of 30% PEG 400, 200 mM Ammonium Acetate and 0.1 M Tris (pH 8.5) mixed with 1 uL of 2.5 mM protein and 2 mM Manganese(II) Chloride
|
Resolution 1.80 Å R-free 0.260 |
| 6DY8 Mn(II)-bound structure of the engineered cyt cb562 variant, CH2EY Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:K59W, I67H, G70Y, Q71H, T96C, T97E, R98C, Y101C | HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;293 K;Drop consists of 1 uL of 25% PEG 1500, 200 mM Calcium Chloride, and 0.1 M Tris (pH 8.5) mixed with 1 uL of 3.5 mM protein and 3.5 mM Manganese(II)Chloride
|
Resolution 1.90 Å R-free 0.278 |
| 6DY8 Mn(II)-bound structure of the engineered cyt cb562 variant, CH2EY Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–128(106 aa)
|
Mutation:K59W, I67H, G70Y, Q71H, T96C, T97E, R98C, Y101C | HEC HEME C × 1 MN MANGANESE (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;293 K;Drop consists of 1 uL of 25% PEG 1500, 200 mM Calcium Chloride, and 0.1 M Tris (pH 8.5) mixed with 1 uL of 3.5 mM protein and 3.5 mM Manganese(II)Chloride
|
Resolution 1.90 Å R-free 0.278 |
| 6DY8 Mn(II)-bound structure of the engineered cyt cb562 variant, CH2EY Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain C
23–128(106 aa)
|
Mutation:K59W, I67H, G70Y, Q71H, T96C, T97E, R98C, Y101C | HEC HEME C × 1 MN MANGANESE (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;293 K;Drop consists of 1 uL of 25% PEG 1500, 200 mM Calcium Chloride, and 0.1 M Tris (pH 8.5) mixed with 1 uL of 3.5 mM protein and 3.5 mM Manganese(II)Chloride
|
Resolution 1.90 Å R-free 0.278 |
| 6DY8 Mn(II)-bound structure of the engineered cyt cb562 variant, CH2EY Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain D
23–128(106 aa)
|
Mutation:K59W, I67H, G70Y, Q71H, T96C, T97E, R98C, Y101C | HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;293 K;Drop consists of 1 uL of 25% PEG 1500, 200 mM Calcium Chloride, and 0.1 M Tris (pH 8.5) mixed with 1 uL of 3.5 mM protein and 3.5 mM Manganese(II)Chloride
|
Resolution 1.90 Å R-free 0.278 |
| 6DYB Metal-free structure of the engineered cyt cb562 variant, CH3 Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:K59W, I67H, Q71H, T96C, T97H, R98C, Y101C | HEC HEME C × 1 CA CALCIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;293 K;Drop consists of 1 uL of 30% PEG 400, 200 mM calcium chloride and 0.1 M Hepes (pH 7.5) mixed with 1 uL of 2.5 mM protein
|
Resolution 2.75 Å R-free 0.309 |
| 6DYB Metal-free structure of the engineered cyt cb562 variant, CH3 Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain C
23–128(106 aa)
|
Mutation:K59W, I67H, Q71H, T96C, T97H, R98C, Y101C | HEC HEME C × 1 CA CALCIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;293 K;Drop consists of 1 uL of 30% PEG 400, 200 mM calcium chloride and 0.1 M Hepes (pH 7.5) mixed with 1 uL of 2.5 mM protein
|
Resolution 2.75 Å R-free 0.309 |
| 6DYC Co(II)-bound structure of the engineered cyt cb562 variant, CH3 Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:K59W, I67H, Q71H, T96C, T97H, R98C, Y101C | CO COBALT (II) ION × 1 HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;293 K;Drop consists of 2 uL of 25% PEG 3350, 200 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 5.5) mixed with 2 uL of 3 mM protein and 3 mM Cobalt(II) Chloride
|
Resolution 1.33 Å R-free 0.192 |
| 6DYC Co(II)-bound structure of the engineered cyt cb562 variant, CH3 Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–128(106 aa)
|
Mutation:K59W, I67H, Q71H, T96C, T97H, R98C, Y101C | HEC HEME C × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;293 K;Drop consists of 2 uL of 25% PEG 3350, 200 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 5.5) mixed with 2 uL of 3 mM protein and 3 mM Cobalt(II) Chloride
|
Resolution 1.33 Å R-free 0.192 |
| 6DYD Cu(II)-bound structure of the engineered cyt cb562 variant, CH3 Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:K59W, I67H, Q71H, T96C, T97H, R98C, Y101C | CA CALCIUM ION × 2 HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;293 K;Drop consists of 2 uL of 45% MPD, 200 mM calcium chloride and 0.1 M Bis-Tris (pH 5.5) mixed with 2 uL of 2 mM protein and 2 mM Copper(II) sulfate
|
Resolution 1.72 Å R-free 0.247 |
| 6DYD Cu(II)-bound structure of the engineered cyt cb562 variant, CH3 Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain C
23–128(106 aa)
|
Mutation:K59W, I67H, Q71H, T96C, T97H, R98C, Y101C | CA CALCIUM ION × 3 HEC HEME C × 1 CU COPPER (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;293 K;Drop consists of 2 uL of 45% MPD, 200 mM calcium chloride and 0.1 M Bis-Tris (pH 5.5) mixed with 2 uL of 2 mM protein and 2 mM Copper(II) sulfate
|
Resolution 1.72 Å R-free 0.247 |
| 6DYE Fe(II)-bound structure of the engineered cyt cb562 variant, CH3 Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:K59W, I67H, Q71H, T96C, T97H, R98C, Y101C | FE FE (III) ION × 1 HEC HEME C × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;Drop consists of 2 uL of 25% PEG 1500, 200 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.5) mixed with 2 uL of 3 mM protein and 2 mM Iron(II) Sulfate (Anaerobic crystal growth)
|
Resolution 2.25 Å R-free 0.270 |
| 6DYE Fe(II)-bound structure of the engineered cyt cb562 variant, CH3 Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–128(106 aa)
|
Mutation:K59W, I67H, Q71H, T96C, T97H, R98C, Y101C | HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;Drop consists of 2 uL of 25% PEG 1500, 200 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.5) mixed with 2 uL of 3 mM protein and 2 mM Iron(II) Sulfate (Anaerobic crystal growth)
|
Resolution 2.25 Å R-free 0.270 |
| 6DYF Cu(II)-bound structure of the engineered cyt cb562 variant, CH3Y Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:K59W, I67H, G70Y, Q71H, T96C, T97H, R98C, Y101C | HEC HEME C × 1 CU COPPER (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;293 K;Drop consists of 2 uL of 30% PEG 400, 200 mM Magnesium Choride and 0.1 M Bis-Tris (pH 5.5) mixed with 1 uL of 2.7 mM protein and 1.5 mM Copper(II) Sulfate
|
Resolution 1.10 Å R-free 0.165 |
| 6DYF Cu(II)-bound structure of the engineered cyt cb562 variant, CH3Y Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–128(106 aa)
|
Mutation:K59W, I67H, G70Y, Q71H, T96C, T97H, R98C, Y101C | HEC HEME C × 1 PEG DI(HYDROXYETHYL)ETHER × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;293 K;Drop consists of 2 uL of 30% PEG 400, 200 mM Magnesium Choride and 0.1 M Bis-Tris (pH 5.5) mixed with 1 uL of 2.7 mM protein and 1.5 mM Copper(II) Sulfate
|
Resolution 1.10 Å R-free 0.165 |
| 6DYG Fe(II)-bound structure of the engineered cyt cb562 variant, CH3Y Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:K59W, I67H, G70Y, Q71H, T96C, T97H, R98C, Y101C | HEC HEME C × 1 FE FE (III) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;Drop consists of 2 uL of 25% PEG 1500, 200 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.5) mixed with 1 uL of 2.7 mM protein and 1.5 mM Iron(II) Sulfate (Anaerobic crystal growth)
|
Resolution 1.49 Å R-free 0.217 |
| 6DYG Fe(II)-bound structure of the engineered cyt cb562 variant, CH3Y Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–128(106 aa)
|
Mutation:K59W, I67H, G70Y, Q71H, T96C, T97H, R98C, Y101C | HEC HEME C × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;Drop consists of 2 uL of 25% PEG 1500, 200 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.5) mixed with 1 uL of 2.7 mM protein and 1.5 mM Iron(II) Sulfate (Anaerobic crystal growth)
|
Resolution 1.49 Å R-free 0.217 |
| 6DYH Vanadyl-bound structure of the engineered cyt cb562 variant, CH3Y Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:K59W, I67H, G70Y, Q71H, T96C, T97H, R98C, Y101C | V VANADIUM ION × 1 HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;293 K;Drop consists of 1 uL of 40% PPG, 200 mM calcium chloride and 0.1 M Bis-Tris (pH 5.5) mixed with 1 uL of 3.5 mM protein and 2 mM Vanadyl Sulfate (Anaerobic crystal growth)
|
Resolution 1.83 Å R-free 0.234 |
| 6DYH Vanadyl-bound structure of the engineered cyt cb562 variant, CH3Y Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain D
23–128(106 aa)
|
Mutation:K59W, I67H, G70Y, Q71H, T96C, T97H, R98C, Y101C | HEC HEME C × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;293 K;Drop consists of 1 uL of 40% PPG, 200 mM calcium chloride and 0.1 M Bis-Tris (pH 5.5) mixed with 1 uL of 3.5 mM protein and 2 mM Vanadyl Sulfate (Anaerobic crystal growth)
|
Resolution 1.83 Å R-free 0.234 |
| 6DYI Co(II)-bound structure of the engineered cyt cb562 variant, H3 Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–128(106 aa)
|
Mutation:K59W, I67H, Q71H, T97H, R98C, Y101C | CO COBALT (II) ION × 1 HEC HEME C × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;293 K;Drop consists of 1 uL of 25% PEG 5000 MME, 200 mM Calcium Chloride and 0.1 M Tris (pH 8.5) mixed with 1 uL of 5 mM protein and 10 mM Cobalt(II) Chloride
|
Resolution 1.96 Å R-free 0.255 |
| 6DYJ Iron-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | FE FE (III) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6;293 K;Drop consists of 2 uL of 25% PEP 426, 100 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.0) mixed with 1 uL of 2 mM protein and 1.1 mM Iron(II) Sulfate (Anaerobic crystal growth)
|
Resolution 1.96 Å R-free 0.252 |
| 6DYJ Iron-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain C
23–128(106 aa)
|
Mutation:M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6;293 K;Drop consists of 2 uL of 25% PEP 426, 100 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.0) mixed with 1 uL of 2 mM protein and 1.1 mM Iron(II) Sulfate (Anaerobic crystal growth)
|
Resolution 1.96 Å R-free 0.252 |
| 6DYJ Iron-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain E
23–128(106 aa)
|
Mutation:M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6;293 K;Drop consists of 2 uL of 25% PEP 426, 100 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.0) mixed with 1 uL of 2 mM protein and 1.1 mM Iron(II) Sulfate (Anaerobic crystal growth)
|
Resolution 1.96 Å R-free 0.252 |
| 6DYJ Iron-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain G
23–128(106 aa)
|
Mutation:M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | FE FE (III) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6;293 K;Drop consists of 2 uL of 25% PEP 426, 100 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.0) mixed with 1 uL of 2 mM protein and 1.1 mM Iron(II) Sulfate (Anaerobic crystal growth)
|
Resolution 1.96 Å R-free 0.252 |
| 6DYK Iron- and Nitric Oxide-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6;293 K;Drop consists of 2 uL of 25% PEP 426, 50 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.0) mixed with 1 uL of 4 mM protein and 2.2 mM Iron(II) Sulfate (Anaerobic crystal growth). Diethylamine NONOate (5 mM) was added to mother liquor prior to crystal harvest
|
Resolution 1.96 Å R-free 0.249 |
| 6DYK Iron- and Nitric Oxide-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain C
23–128(106 aa)
|
Mutation:M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6;293 K;Drop consists of 2 uL of 25% PEP 426, 50 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.0) mixed with 1 uL of 4 mM protein and 2.2 mM Iron(II) Sulfate (Anaerobic crystal growth). Diethylamine NONOate (5 mM) was added to mother liquor prior to crystal harvest
|
Resolution 1.96 Å R-free 0.249 |
| 6DYK Iron- and Nitric Oxide-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain E
23–128(106 aa)
|
Mutation:M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | FE FE (III) ION × 1 NO NITRIC OXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6;293 K;Drop consists of 2 uL of 25% PEP 426, 50 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.0) mixed with 1 uL of 4 mM protein and 2.2 mM Iron(II) Sulfate (Anaerobic crystal growth). Diethylamine NONOate (5 mM) was added to mother liquor prior to crystal harvest
|
Resolution 1.96 Å R-free 0.249 |
| 6DYK Iron- and Nitric Oxide-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain G
23–128(106 aa)
|
Mutation:M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | FE FE (III) ION × 1 NO NITRIC OXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6;293 K;Drop consists of 2 uL of 25% PEP 426, 50 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.0) mixed with 1 uL of 4 mM protein and 2.2 mM Iron(II) Sulfate (Anaerobic crystal growth). Diethylamine NONOate (5 mM) was added to mother liquor prior to crystal harvest
|
Resolution 1.96 Å R-free 0.249 |
| 6DYL Vanadyl-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | V VANADIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;293 K;Drop consists of 1 uL of 35% PEP 426, 50 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 5.5) mixed with 1 uL of 4 mM protein and 2.2 mM Vanadyl Sulfate (Anaerobic crystal growth)
|
Resolution 1.69 Å R-free 0.226 |
| 6DYL Vanadyl-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain C
23–128(106 aa)
|
Mutation:M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | V VANADIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;293 K;Drop consists of 1 uL of 35% PEP 426, 50 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 5.5) mixed with 1 uL of 4 mM protein and 2.2 mM Vanadyl Sulfate (Anaerobic crystal growth)
|
Resolution 1.69 Å R-free 0.226 |
| 6DYL Vanadyl-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain E
23–128(106 aa)
|
Mutation:M7W, K59W, I67H, G70Y, Q71H, T96C, T97H, Y101A, H102I, R106L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;293 K;Drop consists of 1 uL of 35% PEP 426, 50 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 5.5) mixed with 1 uL of 4 mM protein and 2.2 mM Vanadyl Sulfate (Anaerobic crystal growth)
|
Resolution 1.69 Å R-free 0.226 |
| 6DYL Vanadyl-bound structure of the engineered cyt b562 variant, CH3Y* Deposited 2018-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Mutation:;A54L, T88A, R107A, K122A, N154A, L202A, M1007W, H1102I, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, H1102I, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, H1102I, L235A, V239A, S277A ; | NA SODIUM ION × 1 F9Q 6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 15 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.3;293.15 K;0.1 M TRI-SODIUM CITRATE PH 5.3-5.4, 0.05 M SODIUM THIOCYANATE, 29-32% PEG400, 2%(V/V) 2,5-HEXANEDIOL
|
Resolution 2.00 Å R-free 0.201 |
| 6IIU Crystal structure of the human thromboxane A2 receptor bound to ramatroban Deposited 2018-10-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M1007W/H1102I/R1106L/L247A | A8X 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid × 1 ZN ZINC ION × 1 CLR CHOLESTEROL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;Magnesium acetate, PEG 500 DME
|
Resolution 2.50 Å R-free 0.218 |
| 6IIV Crystal structure of the human thromboxane A2 receptor bound to daltroban Deposited 2018-10-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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: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 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)
|
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 method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer;Protein × 5 PDB declaration: pentameric |
Chain C
23–62(40 aa)
Chain C
89–128(40 aa)
|
Mutation:M1007W,R1098I,H1102I,R1106G Mutation:M1007W,R1098I,H1102I,R1106G | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;30% (v/v) PEG 300
0.1 M HEPES (pH 7.0)
100 mM Sodium phosphate dibasic dihydrate
|
Resolution 3.20 Å R-free 0.287 |
| 6JZH Structure of human A2A adenosine receptor in complex with ZM241385 obtained from SFX experiments under atmospheric pressure Deposited 2019-05-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:N154Q,M29W,H124I,R128L | NA SODIUM ION × 1 ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 OLA OLEIC ACID × 19 CLR CHOLESTEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;27% (v/v) PEG400, 50-mM sodium thiocyanate, 2% (v/v) 2,5-hexanediol, 100-mM sodium citrate (pH 5.0)
|
Resolution 2.25 Å R-free 0.218 |
| 6KO5 Complex structure of Ghrelin receptor with Fab Deposited 2019-08-08 | Different construct Different 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)
|
Not recorded | 8QX 6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{S})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;100 mM MES (pH6.6-7.0), 400 mM potassium acetate and 36-40% polyethylene glycol (PEG) 300.
|
Resolution 3.30 Å R-free 0.258 |
| 6LPJ A2AR crystallized in EROCOC17+4, LCP-SFX at 277 K Deposited 2020-01-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M29W, H124I, R128L | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 D12 DODECANE × 1 MYS PENTADECANE × 6 HEX HEXANE × 1 8K6 Octadecane × 3 D10 DECANE × 1 OCT N-OCTANE × 3 UND UNDECANE × 1 ER0 [(2~{R},3~{S})-2,3,4-tris(oxidanyl)butyl] (5~{R},9~{R},13~{R})-5,9,13,17-tetramethyloctadecanoate × 2 TRD TRIDECANE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;100 mM sodium citrate pH5.5, 37% PEG300, 50 mM NaSCN, and 2% 2,5-hexanediol
|
Resolution 1.80 Å R-free 0.207 |
| 6LPK A2AR crystallized in EROCOC17+4, LCP-SFX at 293 K Deposited 2020-01-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M29W, H124I, R128L | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 D12 DODECANE × 1 MYS PENTADECANE × 6 HEX HEXANE × 1 8K6 Octadecane × 3 D10 DECANE × 1 OCT N-OCTANE × 3 UND UNDECANE × 1 ER0 [(2~{R},3~{S})-2,3,4-tris(oxidanyl)butyl] (5~{R},9~{R},13~{R})-5,9,13,17-tetramethyloctadecanoate × 2 TRD TRIDECANE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;100 mM sodium citrate pH5.5, 37% PEG300, 50 mM NaSCN, and 2% 2,5-hexanediol
|
Resolution 1.80 Å R-free 0.209 |
| 6LPL A2AR crystallized in EROCOC17+4, SS-ROX at 100 K Deposited 2020-01-11 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 D12 DODECANE × 1 MYS PENTADECANE × 6 HEX HEXANE × 1 8K6 Octadecane × 3 D10 DECANE × 1 OCT N-OCTANE × 3 UND UNDECANE × 1 ER0 [(2~{R},3~{S})-2,3,4-tris(oxidanyl)butyl] (5~{R},9~{R},13~{R})-5,9,13,17-tetramethyloctadecanoate × 2 TRD TRIDECANE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;100 mM sodium citrate pH5.5, 35-40% PEG400, 50 mM NaSCN, and 2% 2,5-hexanediol
|
Resolution 2.00 Å R-free 0.208 |
| 6LW5 Crystal structure of the human formyl peptide receptor 2 in complex with WKYMVm Deposited 2020-02-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M1007W, H1102I, R1106L, S211L | CLR CHOLESTEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;0.1 M Tris, pH 7.5, 35% PEG500 DME, 3% PPG400, 100 mM CH3COOLi
|
Resolution 2.80 Å R-free 0.289 |
| 6M97 Crystal structure of the high-affinity copper transporter Ctr1 Deposited 2018-08-22 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer;Protein × 3 PDB declaration: trimeric |
Chain A
23–128(106 aa)
|
Not recorded | TBR HEXATANTALUM DODECABROMIDE × 6 ZN ZINC ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;50 mM zinc acetate, 50 mM sodium cacodylate pH 5.9, and 26% PEG 400.
|
Resolution 3.03 Å R-free 0.332 |
| 6M98 Crystal structure of the high-affinity copper transporter Ctr1 in complex with Cu(I) Deposited 2018-08-22 | Different construct Different oligomeric state Different ligand/ion Different experimental method 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 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)
|
Mutation:M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P Mutation:M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P | JEY N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide × 2 ZN ZINC ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;N-(2-Acetamido)iminodiacetic acid, PEG 400, ammonium acetate
|
Resolution 2.80 Å R-free 0.249 |
| 6ME7 XFEL crystal structure of human melatonin receptor MT2 (H208A) in complex with 2-phenylmelatonin Deposited 2018-09-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P | JEY N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;N-(2-Acetamido)iminodiacetic acid, PEG 400, ammonium acetate
|
Resolution 3.20 Å R-free 0.250 |
| 6ME7 XFEL crystal structure of human melatonin receptor MT2 (H208A) in complex with 2-phenylmelatonin Deposited 2018-09-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–128(106 aa)
|
Mutation:M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P | JEY N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;N-(2-Acetamido)iminodiacetic acid, PEG 400, ammonium acetate
|
Resolution 3.20 Å R-free 0.250 |
| 6ME8 XFEL crystal structure of human melatonin receptor MT2 (N86D) in complex with 2-phenylmelatonin Deposited 2018-09-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P | JEY N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;N-(2-Acetamido)iminodiacetic acid, PEG 400, ammonium acetate
|
Resolution 3.10 Å R-free 0.262 |
| 6ME8 XFEL crystal structure of human melatonin receptor MT2 (N86D) in complex with 2-phenylmelatonin Deposited 2018-09-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–128(106 aa)
|
Mutation:M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P | JEY N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;N-(2-Acetamido)iminodiacetic acid, PEG 400, ammonium acetate
|
Resolution 3.10 Å R-free 0.262 |
| 6ME9 XFEL crystal structure of human melatonin receptor MT2 in complex with ramelteon Deposited 2018-09-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P | JEV N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;N-(2-Acetamido)iminodiacetic acid, PEG 400, ammonium acetate
|
Resolution 3.30 Å R-free 0.270 |
| 6ME9 XFEL crystal structure of human melatonin receptor MT2 in complex with ramelteon Deposited 2018-09-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 |
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 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
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 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
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 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
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 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)
|
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 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)
|
Mutation:D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation:D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation:D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation:D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C | HEC HEME C × 12 ZN ZINC ION × 21 FE FE (III) ION × 12 HAE ACETOHYDROXAMIC ACID × 24 1PE PENTAETHYLENE GLYCOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;298 K;Protein solution of:
2.2 mM protein with 1.65 mM Fe and 3 mM Zn premixed briefly prior to crystallisation.
Drops were 1ul + 1 ul of protein solution and the following mother liquor:
30% PEG400, 0.1 M HEPES pH 7.5, 0.2 M (NH4)2SO4
|
Resolution 1.85 Å R-free 0.211 |
| 6OT8 Bimetallic hexameric cage design 4 (BMC4) from cytochrome cb562 Deposited 2019-05-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 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)
|
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 conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer;Protein × 12 PDB declaration: dodecameric |
Chain A
23–128(106 aa)
Chain B
23–128(106 aa)
Chain C
23–128(106 aa)
Chain D
23–128(106 aa)
Chain E
23–128(106 aa)
Chain F
23–128(106 aa)
Chain G
23–128(106 aa)
Chain H
23–128(106 aa)
Chain I
23–128(106 aa)
Chain J
23–128(106 aa)
Chain K
23–128(106 aa)
Chain L
23–128(106 aa)
|
Mutation:D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation:D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation:D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation:D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation:D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation:D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation:D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation:D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation:D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation:D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation:D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C Mutation:D5H,E8H,V16H,A24T,Q25T,R34Q,L38Q,Q41W,K42S,K59S,H63C,D66W,I67E,V69I,D73N,D74A,K77H,N80K,E81Q,G82C,R98C,Y101C | HEC HEME C × 12 HAE ACETOHYDROXAMIC ACID × 24 ZN ZINC ION × 24 FE FE (III) ION × 8 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.60 Å |
| 6PS7 XFEL A2aR structure by ligand exchange from LUF5843 to ZM241385. Deposited 2019-07-12 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–127(105 aa)
|
Not recorded | ZLK zafirlukast × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 9 OLA OLEIC ACID × 8 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 7;293 K;75-175 mM sodium phosphate
24-34% v/v PEG400
100 mM HEPES pH 7.0
1 uM zafirlukast
|
Resolution 2.53 Å R-free 0.223 |
| 6RZ6 Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2570366 (C2221 space group) Deposited 2019-06-12 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | KNW (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid × 1 CLR CHOLESTEROL × 1 TLA L(+)-TARTARIC ACID × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 OLA OLEIC ACID × 10 1PE PENTAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 8;293 K;100-200 mM NH4 Tartrate dibasic
28-32% v/v PEG400
100 mM HEPES pH 8.0
|
Resolution 2.43 Å R-free 0.232 |
| 6RZ7 Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2570366 (F222 space group) Deposited 2019-06-12 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | KNW (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid × 1 CLR CHOLESTEROL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 OLA OLEIC ACID × 21 PGE TRIETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 7;293 K;30 mM NH4 tartrate dibasic
24% PEG400
100 mM HEPES 7.0
|
Resolution 2.43 Å R-free 0.259 |
| 6RZ8 Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2080365 Deposited 2019-06-12 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | KNZ (2~{S})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-but yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 10 OLA OLEIC ACID × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 8;293 K;100 mM K Formate
30% v/v PEG400
100 mM TRIS-HCl pH 8.0
|
Resolution 2.70 Å R-free 0.246 |
| 6RZ9 Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2770372 Deposited 2019-06-12 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Mutation: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 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 structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 9 PDB declaration: nonameric |
Chain A
23–123(101 aa)
Chain D
23–123(101 aa)
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 QMR VARENICLINE × 2 BMA beta-D-mannopyranose × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.87 Å |
| 6WGT Crystal structure of HTR2A with hallucinogenic agonist Deposited 2020-04-06 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | 7LD (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 CLR CHOLESTEROL × 2 OLA OLEIC ACID × 2 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 7;293.15 K;100 mM Tris (pH7.0)
370-410 mM KPO4-mono
90-120 mM GuHCl
28-34% PEG 400
|
Resolution 3.40 Å R-free 0.305 |
| 6WGT Crystal structure of HTR2A with hallucinogenic agonist Deposited 2020-04-06 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–128(106 aa)
|
Not recorded | 7LD (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 OLA OLEIC ACID × 1 PO4 PHOSPHATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 7;293.15 K;100 mM Tris (pH7.0)
370-410 mM KPO4-mono
90-120 mM GuHCl
28-34% PEG 400
|
Resolution 3.40 Å R-free 0.305 |
| 6WGT Crystal structure of HTR2A with hallucinogenic agonist Deposited 2020-04-06 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain C
23–128(106 aa)
|
Not recorded | 7LD (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 PO4 PHOSPHATE ION × 1 1PE PENTAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 7;293.15 K;100 mM Tris (pH7.0)
370-410 mM KPO4-mono
90-120 mM GuHCl
28-34% PEG 400
|
Resolution 3.40 Å R-free 0.305 |
| 6WH4 Crystal structure of HTR2A with inverse agonist Deposited 2020-04-07 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | 89F 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine × 1 OLA OLEIC ACID × 2 CLR CHOLESTEROL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 7;293.15 K;100 mM Tris (pH7.0)
380 mM potassium phosphate-monobasic
33% PEG 400
100 mM Guanidine HCL
300 mM NDSB-195
|
Resolution 3.40 Å R-free 0.304 |
| 6WH4 Crystal structure of HTR2A with inverse agonist Deposited 2020-04-07 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–128(106 aa)
|
Not recorded | 89F 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine × 1 OLA OLEIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 7;293.15 K;100 mM Tris (pH7.0)
380 mM potassium phosphate-monobasic
33% PEG 400
100 mM Guanidine HCL
300 mM NDSB-195
|
Resolution 3.40 Å R-free 0.304 |
| 6WH4 Crystal structure of HTR2A with inverse agonist Deposited 2020-04-07 | Different construct Different oligomeric state Different ligand/ion Different experimental method 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion 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 method 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 method 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 method 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 method 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 method 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 method 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 method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer;Protein × 3 PDB declaration: trimeric |
Chain A
23–128(106 aa)
Chain B
23–128(106 aa)
Chain C
23–128(106 aa)
|
Mutation:K59H, D66N, G70W, D73H, K77H, R98C, Y101C Mutation:K59H, D66N, G70W, D73H, K77H, R98C, Y101C Mutation:K59H, D66N, G70W, D73H, K77H, R98C, Y101C | HEC HEME C × 3 NI NICKEL (II) ION × 1 NA SODIUM ION × 5 CL CHLORIDE ION × 6 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;298 K;22.5% PEG 400, 0.2 M NaCl, 0.1 M HEPES (pH 7.5)
|
Resolution 2.50 Å R-free 0.306 |
| 6WZC Ni-bound structure of an engineered protein trimer, TriCyt3 Deposited 2020-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer;Protein × 3 PDB declaration: trimeric |
Chain A
23–128(106 aa)
Chain B
23–128(106 aa)
Chain C
23–128(106 aa)
|
Mutation:T31K, A35K, Q41K, D54A, K59I, H63V, I67E, V69A, G70W, Q71E, D73H, L76A, K77H, N80K, R98C, Y101C Mutation:T31K, A35K, Q41K, D54A, K59I, H63V, I67E, V69A, G70W, Q71E, D73H, L76A, K77H, N80K, R98C, Y101C Mutation:T31K, A35K, Q41K, D54A, K59I, H63V, I67E, V69A, G70W, Q71E, D73H, L76A, K77H, N80K, R98C, Y101C | HEC HEME C × 3 CO COBALT (II) ION × 1 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;298 K;25% PEG1500, 200 mM MgCl2, 100 mM TRIS (8.5)
|
Resolution 2.00 Å R-free 0.213 |
| 6X8X Cu-bound structure of an engineered metal-dependent protein trimer, TriCyt1 Deposited 2020-06-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 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)
|
Not recorded | RVZ 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile × 2 OLA OLEIC ACID × 8 CLR CHOLESTEROL × 2 NA SODIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;300 K;29-32% PEG 400, 0.1M tri-sodium Citrate pH = 5.3-5.4, 0.05M Sodium Thiocyanate, 2.5 % 2,5-hexanediol
|
Resolution 3.12 Å R-free 0.255 |
| 7BW0 Active human TGR5 complex with a synthetic agonist 23H Deposited 2020-04-12 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
23–128(106 aa)
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.90 Å |
| 7C61 Crystal structure of 5-HT1B-BRIL and SRP2070_Fab complex Deposited 2020-05-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:L138W,M1007W,H1102I,R1106L | ERM Ergotamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;30% PEG400, 0.4M SODIUM THIOCYANATE, 0.1M SODIUM ACETATE PH 5.5
|
Resolution 3.00 Å R-free 0.290 |
| 7C6A Crystal structure of AT2R-BRIL and SRP2070_Fab complex Deposited 2020-05-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:L93V, F133W, M1007W, H1102I, R1106L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;0.05M POTASSIUM ACETATE, 0.1M MES PH6.5, 26-36% PEG300
|
Resolution 3.40 Å R-free 0.285 |
| 7CMU Dopamine Receptor D3R-Gi-Pramipexole complex Deposited 2020-07-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
23–128(106 aa)
|
Mutation:M35W,H130I,R134L | G6L (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 7CMV Dopamine Receptor D3R-Gi-PD128907 complex Deposited 2020-07-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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 method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 3 PDB declaration: trimeric |
Chain A
23–62(40 aa)
Chain A
88–128(41 aa)
|
Mutation:S121K,L123W,M1007W,R1098I, H1102I, R1106G Mutation:S121K,L123W,M1007W,R1098I, H1102I, R1106G | SIP 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 8;293 K;0.1M Tris-HCl pH 8.0, 0.1M Lithium acetate dihydrate, 30% (V/V) polyethylene glycol 400, 5% (v/v) dimethyl sulfoxide, 0.01M Adenosine triphosphate, 1mM spiperone
|
Resolution 3.10 Å R-free 0.216 |
| 7E2X Apo serotonin 1A (5-HT1A) receptor-Gi protein complex Deposited 2021-02-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain R
23–128(106 aa)
|
Mutation:M7W,H102I,R106L,L125W | J40 [(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate × 1 CLR CHOLESTEROL × 10 PLM PALMITIC ACID × 3 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 7E2Y Serotonin-bound Serotonin 1A (5-HT1A) receptor-Gi protein complex Deposited 2021-02-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain R
23–128(106 aa)
|
Mutation:M7W,H102I,R106L,L125W | SRO SEROTONIN × 1 J40 [(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate × 1 CLR CHOLESTEROL × 4 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 7E2Z Aripiprazole-bound serotonin 1A (5-HT1A) receptor-Gi protein complex Deposited 2021-02-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain R
23–128(106 aa)
|
Mutation:M7W,H102I,R106L,L125W | 9SC 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one × 1 CLR CHOLESTEROL × 3 J40 [(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.10 Å |
| 7E32 Serotonin 1D (5-HT1D) receptor-Gi protein complex Deposited 2021-02-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
23–128(106 aa)
|
Mutation:M7W,H102I,R106L,L127W | SRO SEROTONIN × 1 CLR CHOLESTEROL × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.90 Å |
| 7E33 Serotonin 1E (5-HT1E) receptor-Gi protein complex Deposited 2021-02-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions | 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 oligomeric state Different ligand/ion 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 method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer;Protein × 2 PDB declaration: dimeric |
Chain A
23–123(101 aa)
Chain B
23–123(101 aa)
|
Mutation:I92N,M1007W Mutation:I92N,M1007W | UKA 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 8.2;291 K;100 mM Tris pH 8.2, 30% PEG400 and 0.4 M (NH4)2SO4.
|
Resolution 3.80 Å R-free 0.313 |
| 7F61 Crystal structure of human histamine receptor H3R in complex with antagonist PF03654746 Deposited 2021-06-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 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)
|
Mutation:T130K,N188Q,M1012W,H1107I,R1111L Mutation:T130K,N188Q,M1012W,H1107I,R1111L | OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 1KQ 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 7;293.15 K;100mM HEPES, pH 7.0, 25%-36% PEG300, 80mM - 150mM NH4F
|
Resolution 2.94 Å R-free 0.265 |
| 7IN1 Crystal structure of A2A in complex with TEP for 21h Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.49 Å R-free 0.279 |
| 7IN2 Crystal structure of A2A in complex with 1 mM ZM241385 for 21h Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.43 Å R-free 0.267 |
| 7IN3 Crystal structure of A2A in complex with 5 mM ZM241385 for 21h Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.66 Å R-free 0.262 |
| 7IN4 Crystal structure of A2A in complex with 10 mM ZM241385 for 21h Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.66 Å R-free 0.308 |
| 7IN5 Crystal structure of A2A in complex with TEP for 3h Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.49 Å R-free 0.257 |
| 7IN6 Crystal structure of A2A in complex with 1 mM ZM241385 for 3h Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.52 Å R-free 0.333 |
| 7IN7 Crystal structure of A2A in complex with 5 mM ZM241385 for 3h Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.43 Å R-free 0.271 |
| 7IN8 Crystal structure of A2A in complex with 10 mM ZM241385 for 3h Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.52 Å R-free 0.300 |
| 7IN9 Crystal structure of A2A in complex with Fi16 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COM (3M)-3-(2-methyl-1,3-thiazol-4-yl)pyridine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.54 Å R-free 0.227 |
| 7INA Crystal structure of A2A in complex with F2 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CON 2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide × 1 TEP THEOPHYLLINE × 1 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.15 Å R-free 0.284 |
| 7INB Crystal structure of A2A in complex with F4 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 8ZX 4-methoxybenzamide × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.10 Å R-free 0.266 |
| 7INC Crystal structure of A2A in complex with F7 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COP (1R)-1-(1H-1,3-benzimidazol-2-yl)ethan-1-ol × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.18 Å R-free 0.245 |
| 7IND Crystal structure of A2A in complex with F12 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COO 4-fluorobenzene-1-carbothioamide × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.67 Å R-free 0.258 |
| 7INE Crystal structure of A2A in complex with F35 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 VN9 3,4-dihydro-1~{H}-quinolin-2-one × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.28 Å R-free 0.257 |
| 7INF Crystal structure of A2A in complex with F44 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COQ 2,4-difluorobenzene-1-carbothioamide × 1 TEP THEOPHYLLINE × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.26 Å R-free 0.247 |
| 7ING Crystal structure of A2A in complex with F99 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 ES2 6-chloro-1,3-dihydro-2H-indol-2-one × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.15 Å R-free 0.238 |
| 7INH Crystal structure of A2A in complex with F132 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COR 6-bromo-2-methyl-4H-3,1-benzoxazin-4-one × 1 TEP THEOPHYLLINE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.30 Å R-free 0.282 |
| 7INI Crystal structure of A2A in complex with F135 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COV 5~{H}-pyrido[2,1-b]quinazolin-11-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.57 Å R-free 0.259 |
| 7INJ Crystal structure of A2A in complex with F148 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COW (4-chlorophenyl)[2-(methylsulfanyl)-1H-imidazol-1-yl]methanone × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.10 Å R-free 0.271 |
| 7INK Crystal structure of A2A in complex with F163 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COX methyl 1H-indole-6-carboxylate × 1 TEP THEOPHYLLINE × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.19 Å R-free 0.248 |
| 7INL Crystal structure of A2A in complex with F173 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COY 5-methyl-1,2-oxazole-3-carbothioamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.20 Å R-free 0.250 |
| 7INM Crystal structure of A2A in complex with F178 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 U4D 5-(trifluoromethyl)pyridin-2-one × 1 TEP THEOPHYLLINE × 1 DMS DIMETHYL SULFOXIDE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.19 Å R-free 0.241 |
| 7INN Crystal structure of A2A in complex with F210 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COZ N-(4-chlorophenyl)thiourea × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.32 Å R-free 0.234 |
| 7INO Crystal structure of A2A in complex with F223 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO0 N-[2-amino-4-(trifluoromethyl)phenyl]acetamide × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.08 Å R-free 0.228 |
| 7INP Crystal structure of A2A in complex with F235 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 YPN 2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.21 Å R-free 0.242 |
| 7INQ Crystal structure of A2A in complex with F242 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 2O8 4-[(trifluoromethyl)sulfanyl]benzamide × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.19 Å R-free 0.242 |
| 7INR Crystal structure of A2A in complex with F273 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 LR5 4-(trifluoromethyl)benzamide × 1 TEP THEOPHYLLINE × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.13 Å R-free 0.234 |
| 7INT Crystal structure of A2A in complex with F293 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO1 2-(methylsulfanyl)-1H-1,3-benzimidazole × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.25 Å R-free 0.253 |
| 7INU Crystal structure of A2A in complex with F336 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO2 (2S)-2-methyl-6-(trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.46 Å R-free 0.279 |
| 7INV Crystal structure of A2A in complex with F379 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 Y25 5-chloropyridin-3-ol × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.57 Å R-free 0.246 |
| 7INW Crystal structure of A2A in complex with F428 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1BL1 N-[4-(trifluoromethyl)phenyl]acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.59 Å R-free 0.244 |
| 7INX Crystal structure of A2A in complex with FU2-57 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO3 (2S)-3-{methyl[5-(trifluoromethyl)pyridin-2-yl]amino}propane-1,2-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.31 Å R-free 0.246 |
| 7INY Crystal structure of A2A in complex with FU2-59 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CS6 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}ethan-1-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.36 Å R-free 0.229 |
| 7INZ Crystal structure of A2A in complex with FU4-40 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO5 4-(4-methoxyphenyl)-2H-1lambda~4~,3-thiazol-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.41 Å R-free 0.239 |
| 7IO0 Crystal structure of A2A in complex with FU4-54 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO6 6-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.05 Å R-free 0.240 |
| 7IO1 Crystal structure of A2A in complex with FU7-1 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO7 6-methoxy-1H-indole-2-carboxylic acid × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.25 Å R-free 0.243 |
| 7IO2 Crystal structure of A2A in complex with FU7-15 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO8 2-(1H-1,3-benzimidazol-2-yl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.96 Å R-free 0.242 |
| 7IO3 Crystal structure of A2A in complex with FU7-29 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO9 (6-bromo-1H-indol-2-yl)methanol × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.22 Å R-free 0.246 |
| 7IO4 Crystal structure of A2A in complex with FU12-19 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1IGL (4R)-4-phenyl-1,3-oxazolidin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.10 Å R-free 0.244 |
| 7IO5 Crystal structure of A2A in complex with FU12-45 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPA 4-chloro-N-hydroxybenzamide × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.84 Å R-free 0.237 |
| 7IO6 Crystal structure of A2A in complex with FU12-86 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPB 2-phenyl-1H-pyrrolo[2,3-b]pyridine × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.36 Å R-free 0.236 |
| 7IO7 Crystal structure of A2A in complex with FU18-60 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPC 3-(3-hydroxypropyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.23 Å R-free 0.243 |
| 7IO8 Crystal structure of A2A in complex with FU18-82 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPD 2-{[(R)-methanesulfinyl]methyl}-1H-1,3-benzimidazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.27 Å R-free 0.247 |
| 7IO9 Crystal structure of A2A in complex with FU35-2 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPE (2R)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.91 Å R-free 0.256 |
| 7IOA Crystal structure of A2A in complex with FU35-5 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPF N-phenyl-1H-tetrazol-5-amine × 1 PEG DI(HYDROXYETHYL)ETHER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.10 Å R-free 0.236 |
| 7IOB Crystal structure of A2A in complex with FU35-42 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPH N~5~-phenyl-1,2,4-thiadiazole-3,5-diamine × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.11 Å R-free 0.237 |
| 7IOC Crystal structure of A2A in complex with FU18-82 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPI N-phenyl-1,3,4-thiadiazol-2-amine × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.07 Å R-free 0.256 |
| 7IOD Crystal structure of A2A in complex with FU35-78 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPJ (3-anilino-1,2,4-oxadiazol-5-yl)methanol × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.40 Å R-free 0.241 |
| 7IOE Crystal structure of A2A in complex with FU44-18 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPK 4-chloro-N-(2-hydroxyethoxy)benzamide × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.08 Å R-free 0.225 |
| 7IOF Crystal structure of A2A in complex with FU99-31 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPL 5-chloro-2-{[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]sulfanyl}-1H-1,3-benzimidazole × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.90 Å R-free 0.244 |
| 7IOG Crystal structure of A2A in complex with FU99-89 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPM 2-[(5-chloro-1H-1,3-benzimidazol-2-yl)sulfanyl]acetamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.98 Å R-free 0.236 |
| 7IOH Crystal structure of A2A in complex with FU99-91 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPN 4-[(1H-1,3-benzimidazol-2-yl)sulfanyl]butanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.07 Å R-free 0.238 |
| 7IOI Crystal structure of A2A in complex with FU101-88 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPO N-(3-fluoro-4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.04 Å R-free 0.235 |
| 7IOJ Crystal structure of A2A in complex with FU113-13 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPP N-[(furan-2-yl)methyl]thiophene-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.26 Å R-free 0.238 |
| 7IOK Crystal structure of A2A in complex with FU113-99 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPQ 5-fluoro-N-[(1H-pyrazol-3-yl)methyl]thiophene-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.30 Å R-free 0.242 |
| 7IOL Crystal structure of A2A in complex with FU132-3 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPR N-(4-bromophenyl)-1H-imidazole-4-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.81 Å R-free 0.241 |
| 7IOM Crystal structure of A2A in complex with FU18-82 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPS 2-(4-bromophenyl)-1lambda~6~,2-thiazinane-1,1-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.10 Å R-free 0.281 |
| 7ION Crystal structure of A2A in complex with FU132-90 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPT ({2-oxo-2-[4-(trifluoromethyl)anilino]ethyl}sulfanyl)acetic acid × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.14 Å R-free 0.244 |
| 7IOO Crystal structure of A2A in complex with FU132,428-27 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPU 5-bromo-2-carbamamidobenzoic acid × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.01 Å R-free 0.236 |
| 7IOP Crystal structure of A2A in complex with FU163-33 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPV methyl 6-bromo-1H-indole-2-carboxylate × 1 DMS DIMETHYL SULFOXIDE × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.92 Å R-free 0.230 |
| 7IOQ Crystal structure of A2A in complex with FU163-51 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPW N-[2-(1H-imidazol-2-yl)ethyl]-6-(trifluoromethyl)-1H-indole-2-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.26 Å R-free 0.233 |
| 7IOR Crystal structure of A2A in complex with FU163-53 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPX 3-hydroxypropyl 6-(trifluoromethyl)-1H-indole-2-carboxylate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.89 Å R-free 0.233 |
| 7IOS Crystal structure of A2A in complex with FU163-58 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPY 3-[2-(1H-imidazol-4-yl)ethyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.38 Å R-free 0.240 |
| 7IOT Crystal structure of A2A in complex with FU163-67 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPZ 6-bromo-1H-indole-2-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.31 Å R-free 0.245 |
| 7IOU Crystal structure of A2A in complex with FU163-75 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP0 N-(2-amino-2-oxoethyl)-6-chloro-1H-indole-2-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.17 Å R-free 0.234 |
| 7IOV Crystal structure of A2A in complex with FU163-104 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP1 7-bromo-3-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.30 Å R-free 0.236 |
| 7IOW Crystal structure of A2A in complex with FU163-106 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP2 N-{2-[(furan-2-carbonyl)amino]ethyl}-6-(propan-2-yl)-1H-indole-2-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.17 Å R-free 0.225 |
| 7IOX Crystal structure of A2A in complex with FU163-109 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP3 [(3S)-3-(1H-1,3-benzimidazol-1-yl)pyrrolidin-1-yl](6-methoxy-1H-indol-2-yl)methanone × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.15 Å R-free 0.250 |
| 7IOY Crystal structure of A2A in complex with FU210-12 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP4 N-(4-fluorophenyl)-N'-{2-[3-(pyridin-2-yl)-1H-pyrazol-1-yl]ethyl}urea × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.00 Å R-free 0.244 |
| 7IOZ Crystal structure of A2A in complex with FU223-7 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP5 5-chloro-1,3-benzothiazol-2(3H)-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.88 Å R-free 0.242 |
| 7IP0 Crystal structure of A2A in complex with FU223-43 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP6 methyl (3-methylphenyl)carbamate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.99 Å R-free 0.259 |
| 7IP1 Crystal structure of A2A in complex with FU235-66 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP7 (2S)-3-[(5-chloropyridin-2-yl)sulfanyl]propane-1,2-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.29 Å R-free 0.243 |
| 7IP2 Crystal structure of A2A in complex with FU242-98 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP8 N-[4-(trifluoromethoxy)phenyl]urea × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.13 Å R-free 0.232 |
| 7IP3 Crystal structure of A2A in complex with FU273-23 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP9 N-[2-(methanesulfonamido)ethyl]-4-(trifluoromethyl)benzamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.11 Å R-free 0.238 |
| 7IP4 Crystal structure of A2A in complex with FU273-77 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQA 3-[(4-bromophenyl)methanesulfonyl]propan-1-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.04 Å R-free 0.222 |
| 7IP5 Crystal structure of A2A in complex with FU293-69 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQB N-(2-hydroxyethyl)-1H-indole-2-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.95 Å R-free 0.239 |
| 7IP6 Crystal structure of A2A in complex with FU293-80 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 6N4 2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.07 Å R-free 0.223 |
| 7IP7 Crystal structure of A2A in complex with FU293-87 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQC 1-(1H-1,3-benzimidazol-2-yl)ethan-1-one × 1 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.32 Å R-free 0.238 |
| 7IP8 Crystal structure of A2A in complex with FU300-24 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQD 3-hydroxy-N-[(1H-pyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.28 Å R-free 0.252 |
| 7IP9 Crystal structure of A2A in complex with FU336-22 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQE N-{[(2S)-3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}glycine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.10 Å R-free 0.238 |
| 7IPA Crystal structure of A2A in complex with FU336-32 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQF 1-{[(2S)-6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}azetidine-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.32 Å R-free 0.250 |
| 7IPB Crystal structure of A2A in complex with FU336-34 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQG (2S)-3-{2-[(2S)-6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamido}-2-hydroxy-2-methylpropanoic acid × 1 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.09 Å R-free 0.250 |
| 7IPC Crystal structure of A2A in complex with FU336-61 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQH 2-[(2S)-6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-[(2S)-2,3-dihydroxypropyl]acetamide × 1 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.87 Å R-free 0.226 |
| 7IPD Crystal structure of A2A in complex with FU379-101 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQI 7-chloroquinolin-2(1H)-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.19 Å R-free 0.240 |
| 7IPE Crystal structure of A2A in complex with FU428-8 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQJ (3R)-3-(4-bromophenyl)-4-[(5S)-2-oxo-2,5-dihydro-1,3-oxazole-5-carbonyl]piperazin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.84 Å R-free 0.245 |
| 7IPF Crystal structure of A2A in complex with FU428-16 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQK N-(4-ethylphenyl)-2-[(6-methyl-2-oxo-2,5-dihydropyrimidin-4-yl)sulfanyl]acetamide × 1 DMS DIMETHYL SULFOXIDE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.90 Å R-free 0.240 |
| 7IPG Crystal structure of A2A in complex with FU428-36 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(101 aa)
|
Mutation:A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CS8 (3S)-4-[(2R)-2-hydroxybutanoyl]-3-[4-(trifluoromethyl)phenyl]piperazin-2-one × 1 A1CQL (3R)-4-[(2R)-2-hydroxybutanoyl]-3-[4-(trifluoromethyl)phenyl]piperazin-2-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.5;293 K;0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.06 Å R-free 0.249 |
| 7JNI Crystal structure of the angiotensin II type 2 receptoror (AT2R) in complex with EMA401 Deposited 2020-08-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M29W,H124I,R128L in cyt b562 Non-standard monomer:Yes (specific site not provided by mmCIF) | VFD Olodanrigan × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 OLA OLEIC ACID × 3 FMT FORMIC ACID × 1 HEZ HEXANE-1,6-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;Tris-HCl pH 8.0,
Potassium Formate,
PEG400, and 1,6-hexanediol
|
Resolution 3.00 Å R-free 0.273 |
| 7JNI Crystal structure of the angiotensin II type 2 receptoror (AT2R) in complex with EMA401 Deposited 2020-08-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 oligomeric state Different ligand/ion 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 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 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 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 method 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 method 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 method 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 method 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 method 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 method 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 method 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 method 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 method 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 method 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 method 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 3 PDB declaration: trimeric |
Chain C
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 oligomeric state Different ligand/ion Different experimental method 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 method 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 method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric |
Chain A
23–128(106 aa)
Chain C
23–128(106 aa)
|
Mutation:K59W, D60H, I67H, Q71H, T96C, T97H, R98C, Y101C, K104H Mutation:K59W, D60H, I67H, Q71H, T96C, T97H, R98C, Y101C, K104H | HEC HEME C × 2 CO COBALT (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8;298 K;PEG1500 25%, MgCl2 200 mM, pH 8 EPPS 100 mM
|
Resolution 1.93 Å R-free 0.325 |
| 7PP1 Crystal structure of the P2Y12 receptor in complex with the inverse agonist selatogrel. Deposited 2021-09-13 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain AAA
23–128(106 aa)
|
Not recorded | 7Y5 Selatogrel × 1 CLR CHOLESTEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;298 K;0.1 M ammonium formate, 0.1 M sodium cacdylate, pH 6.0-6.5, 25-35% PEG400
|
Resolution 2.78 Å R-free 0.286 |
| 7PX4 Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2113 Deposited 2021-10-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:S91K | CLR CHOLESTEROL × 3 8E2 Preladenant conjugate PSB-2113 × 1 OLA OLEIC ACID × 26 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 PEG DI(HYDROXYETHYL)ETHER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;24% (v/v) PEG-400 (polyethylene glycol 400, average molecular weight 400), 10-30 mM sodium thiocyanate, 100 mM sodium citrate pH 5.2, and 2% (v/v) 2,5-hexanediol
|
Resolution 2.25 Å R-free 0.240 |
| 7PYR Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2115 Deposited 2021-10-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:S91K | CLR CHOLESTEROL × 3 8IM 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]pentyl]ethanamide × 1 OLA OLEIC ACID × 25 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 PEG DI(HYDROXYETHYL)ETHER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;24% (v/v) PEG-400 (polyethylene glycol 400, average molecular weight 400), 10-30 mM sodium thiocyanate, 100 mM sodium citrate pH 5.2, and 2% (v/v) 2,5-hexanediol
|
Resolution 2.60 Å R-free 0.252 |
| 7RM5 MicroED structure of the human adenosine receptor at 2.8A Deposited 2021-07-26 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 4 NA SODIUM ION × 1 |
ELECTRON CRYSTALLOGRAPHY
cryo-EM buffer
pH 5;25-28% (v/v) PEG 400, 0.04-0.06M sodium thiocyanate, 2% (v/v) 2,5-hexanediol, 100mM sodium citrate, pH 5.0, Lipid Cubic Phase (LCP), temperature 293K
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.79 Å R-free 0.288 |
| 7RWU Crystal structure of Ni-bound RIDC1 variant in the presence of reductant Deposited 2021-08-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 method 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 method 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 method 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 method 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 method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer;Protein × 3 PDB declaration: trimeric |
Chain B
23–128(106 aa)
Chain C
23–128(106 aa)
Chain F
23–128(106 aa)
|
Mutation:R56A, L60A, Q63W, K64S, K81H, D88W, V91I, D95H, D96A, K99H, T118C, R120C, Y123C Mutation:R56A, L60A, Q63W, K64S, K81H, D88W, V91I, D95H, D96A, K99H, T118C, R120C, Y123C Mutation:R56A, L60A, Q63W, K64S, K81H, D88W, V91I, D95H, D96A, K99H, T118C, R120C, Y123C | HEC HEME C × 3 1PE PENTAETHYLENE GLYCOL × 1 FE FE (III) ION × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;295 K;40% PPG, 0.1 M Bis-Tris
|
Resolution 2.20 Å R-free 0.259 |
| 7S8M CryoEM structure of Gi-coupled MRGPRX2 with peptide agonist Cortistatin-14 Deposited 2021-09-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 6 PDB declaration: hexameric |
Chain R
23–128(106 aa)
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 2.54 Å |
| 7S8O CryoEM structure of Gi-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573 Deposited 2021-09-18 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
23–128(106 aa)
|
Not recorded | 8IU (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 2.58 Å |
| 7S8P CryoEM structure of Gq-coupled MRGPRX4 with small molecule agonist MS47134 Deposited 2021-09-18 | Different construct Different oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion Different experimental conditions | 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 method 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain R
23–127(105 aa)
|
Not recorded | EIG Mitragynine pseudoindoxyl × 1 CLR CHOLESTEROL × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.50 Å |
| 7T32 CryoEM structure of the adenosine 2A receptor-BRIL/Anti BRIL Fab complex with ZM241385 Deposited 2021-12-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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 method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer;Protein × 4 PDB declaration: tetrameric |
Chain A
23–128(106 aa)
Chain B
23–128(106 aa)
Chain C
23–128(106 aa)
Chain D
23–128(106 aa)
|
Mutation:R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, D74A, K77H, T96C, R98C, Y101C Mutation:R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, D74A, K77H, T96C, R98C, Y101C Mutation:R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, D74A, K77H, T96C, R98C, Y101C Mutation:R34A, L38A, Q41W, K42S, K59H, D66W, V69I, D73H, D74A, K77H, T96C, R98C, Y101C | HEC HEME C × 4 CU COPPER (II) ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;298 K;25% PEG1500, 0.1 M Bis-Tris, 0.2 M ammonium acetate
|
Resolution 2.70 Å R-free 0.339 |
| 7TX6 Cryo-EM structure of the human reduced folate carrier in complex with methotrexate Deposited 2022-02-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
25–127(103 aa)
|
Mutation:UNP residues 215-241 replaced with engineered epitope | MTX METHOTREXATE × 1 AJP Digitonin × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.30 Å |
| 7TX7 Cryo-EM structure of the human reduced folate carrier Deposited 2022-02-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
25–127(103 aa)
|
Mutation:UNP residues 215-241 replaced with engineered epitope | AJP Digitonin × 4 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.80 Å |
| 7VOD Crystal structure of 5-HT2AR in complex with cariprazine Deposited 2021-10-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–62(40 aa)
Chain A
88–128(41 aa)
|
Mutation:S162K,N164W,M1007W,R1098I,H1102I,R1106G,S372N Mutation:S162K,N164W,M1007W,R1098I,H1102I,R1106G,S372N | MG MAGNESIUM ION × 1 CLR CHOLESTEROL × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 7RU 3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293.15 K;100 mM Tris/HCl, 100 mM Potassium formate, 30% PEG
|
Resolution 3.30 Å R-free 0.239 |
| 7VOE Crystal structure of 5-HT2AR in complex with aripiprazole Deposited 2021-10-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 ligand/ion 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 oligomeric state Different ligand/ion 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 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 ligand/ion 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 ligand/ion 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 ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion | 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 mutation/modification Different oligomeric state Different ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 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 | 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 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 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 method 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 method 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
23–127(105 aa)
Fragment:Chimera protein of Cytochrome b-562 (UNP residues 23-127) and MrgD (UNP residues 5-321)
|
Mutation:M29W, H124I | BAL BETA-ALANINE × 1 PLM PALMITIC ACID × 3 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE;blot time 3 seconds
blot force 5
|
Resolution 3.10 Å |
| 7Y13 Cryo-EM structure of apo-state MrgD-Gi complex (local) Deposited 2022-06-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain R
23–127(105 aa)
Fragment:Chimera protein of Cytochrome b-562 (UNP residues 23-127) and MrgD (UNP residues 5-321)
|
Mutation:M29W, H124I | PLM PALMITIC ACID × 7 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE;blot time 3 seconds
blot force 5
|
Resolution 3.10 Å |
| 7Y14 Cryo-EM structure of MrgD-Gi complex with beta-alanine (local) Deposited 2022-06-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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 conditions | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
23–127(105 aa)
Fragment:Chimera protein of Cytochrome b-562 (UNP residues 23-127) and MrgD (UNP residues 5-321)
|
Mutation:M29W, H124I | PLM PALMITIC ACID × 3 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE;blot time 3 seconds
blot force 5
|
Resolution 2.90 Å |
| 7YIT Molecular mechanism of biased signaling at the kappa opioid receptor Deposited 2022-07-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer;Protein × 3 PDB declaration: trimeric |
Chain E
23–128(106 aa)
|
Mutation:M1007W,V1084E,H1102I | IVB nalfurafine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 6.7;293 K;40-200 mM magnesium sulfate hydrate, 100 mM sodium citrate tribasic dehydrate, 10 mM Manganese (II) chloride tetrahydrate
28-30% PEG400
|
Resolution 3.30 Å R-free 0.335 |
| 7YXA XFEL crystal structure of the human sphingosine 1 phosphate receptor 5 in complex with ONO-5430608 Deposited 2022-02-15 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 B2O 4-[6-(2-naphthalen-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butanoic acid × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 7;295 K;crystallization in syringes in precipitant conditions containing 100-300 mM KH2PO4 monobasic, 28-32% v/v PEG400, and 100 mM HEPES pH 7
|
Resolution 2.20 Å R-free 0.329 |
| 7YXA XFEL crystal structure of the human sphingosine 1 phosphate receptor 5 in complex with ONO-5430608 Deposited 2022-02-15 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–127(105 aa)
|
Not recorded | V0S 3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide × 1 CLR CHOLESTEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 6;293 K;0.1 M MES pH6.0,
0.09-0.12 M potassium formate,
24-27% (v/v) PEG500 DME,
0.5 mM zinc chloride,
0.1 M ammonium fluoride
|
Resolution 3.00 Å R-free 0.275 |
| 7ZL9 Crystal structure of human GPCR Niacin receptor (HCA2) Deposited 2022-04-14 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | OLA OLEIC ACID × 6 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;100mM pH5.4 sodium citrate, 60mM ammonium citrate, 36% PEG400, and 3% Additive 80 (40% PPG)
|
Resolution 2.70 Å R-free 0.280 |
| 8A2O Room-temperature structure of the stabilised A2A-Theophylline complex determined by synchrotron serial crystallography Deposited 2022-06-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:A54L,T88A,R107A,K122A,L202A,L235A,V239A6,S277A,N154A | TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 4.5;293 K;0.1 M tri-sodium citrate pH 4.5, 0.05 M sodium thiocyanate, 29% (v/v) polyethylene glycol 400, 2% (v/v) 2,5-hexanediol
|
Resolution 3.45 Å R-free 0.241 |
| 8A2P Room-temperature structure of the stabilised A2A-LUAA47070 complex determined by synchrotron serial crystallography Deposited 2022-06-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:A54L,T88A,R107A,K122A,L202A,L235A,V239A6,S277A,N154A | 9Y2 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 4 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 4.5;293 K;0.1 M tri-sodium citrate pH 4.5, 0.05 M sodium thiocyanate, 29% (v/v) polyethylene glycol 400, 2% (v/v) 2,5-hexanediol
|
Resolution 3.50 Å R-free 0.247 |
| 8C9W Crystal structure of the adenosine A2A receptor (construct A2A-PSB2-bRIL) complexed with Etrumadenant at the orthosteric pocket Deposited 2023-01-23 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | U30 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 5 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;pH 7.4;293 K;30 % (w/v) PEG400, 7 % (w/v) Tacsimate pH 7.0,100 mM HEPES-Na pH 7.4, 1.8 % (w/v) 2,5-hexandiol, 25 microM Etrumadenant
|
Resolution 2.11 Å R-free 0.267 |
| 8CIC Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with clinical candidate Etrumadenant Deposited 2023-02-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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: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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Mutation: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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Mutation: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 method 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 method 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 ligand/ion 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 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 method 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 ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 6 PDB declaration: hexameric |
Chain A
23–127(105 aa)
Chain B
23–127(105 aa)
Chain C
23–127(105 aa)
Chain D
23–127(105 aa)
Chain E
23–127(105 aa)
|
Not recorded | PEE 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine × 20 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.18 Å |
| 8DRF Zn(II)-bound B2 dimer (H60/H100/H104) Deposited 2022-07-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 method 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 ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 6 PDB declaration: hexameric |
Chain A
23–127(105 aa)
Chain B
23–127(105 aa)
Chain C
23–127(105 aa)
Chain D
23–127(105 aa)
Chain E
23–127(105 aa)
|
Not recorded | PEE 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine × 21 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.95 Å |
| 8DRL Zn(II)-bound B2 dimer (H60/H100/H104) formed in Cu(II)//Zn(II) (M1 // M2) condition Deposited 2022-07-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric |
Chain A
23–128(106 aa)
|
Mutation:D60H, A100H, K104H | HEC HEME C × 2 ZN ZINC ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 9;298 K;PEG3350 24%, CHES 100 mM
|
Resolution 1.65 Å R-free 0.202 |
| 8DRM Zn(II)-bound B2 dimer (H60/H100/H104) formed in Zn(II)//Cu(II) (M1 // M2) condition Deposited 2022-07-21 | Different construct Different oligomeric state Different ligand/ion Different experimental method 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 2 PDB declaration: dimeric |
Chain A
23–127(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 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 oligomeric state Different ligand/ion 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 ligand/ion 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 ligand/ion 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 ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 6 PDB declaration: hexameric |
Chain A
23–127(105 aa)
Chain B
23–127(105 aa)
Chain C
23–127(105 aa)
Chain D
23–127(105 aa)
Chain E
23–127(105 aa)
|
Not recorded | PEE 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine × 4 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.48 Å |
| 8DU3 Crystal structure of A2AAR-StaR2-bRIL in complex with compound 21a Deposited 2022-07-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:A79L, T113A, R132A, K147A, N179A, L227A, M240W, H335I, R339L, L356A, V360A, S398A | TKO (4M)-6-bromo-4-(furan-2-yl)quinazolin-2-amine × 1 CLR CHOLESTEROL × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 OLA OLEIC ACID × 17 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 4.5;293 K;Sodium Citrate pH 4.5, sodium thiocyanate, PEG 400, 2,4-hexanediol
|
Resolution 2.50 Å R-free 0.232 |
| 8F74 LRRC8A(T48D):C conformation 2 top focus Deposited 2022-11-18 | Different construct Different mutation/modification Different ligand/ion 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 ligand/ion 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 ligand/ion 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 ligand/ion 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 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 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
23–127(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 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 15 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 5 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 NA SODIUM ION × 1 |
ELECTRON CRYSTALLOGRAPHY
cryo-EM buffer
pH 4.7
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.00 Å R-free 0.279 |
| 8GNE Crystal structure of human adenosine A2A receptor in complex with an insurmountable inverse agonist, KW-6356. Deposited 2022-08-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:N154Q,M1007W,H1102I,R1106L | JQR ~{N}-[4-(furan-2-yl)-5-(oxan-4-ylcarbonyl)-1,3-thiazol-2-yl]-6-methyl-pyridine-3-carboxamide × 1 CLR CHOLESTEROL × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 18 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5;293.15 K;PEG 400, sodium thiocyanate, 2,5-hexanediol, sodium citrate
|
Resolution 2.30 Å R-free 0.235 |
| 8GY7 Cryo-EM structure of ACTH-bound melanocortin-2 receptor in complex with MRAP1 and Gs protein Deposited 2022-09-21 | Different construct Different 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 ligand/ion 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 oligomeric state Different ligand/ion 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 ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
23–127(105 aa)
|
Not recorded | ITF 2-(1~{H}-imidazol-5-yl)ethyl carbamimidothioate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 8HQE Cryo-EM structure of the apo-GPR132-Gi Deposited 2022-12-13 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
23–128(106 aa)
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.97 Å |
| 8HQM Activation mechanism of GPR132 by NPGLY Deposited 2022-12-13 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
23–128(106 aa)
|
Not recorded | 140 N-PALMITOYLGLYCINE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.95 Å |
| 8HQN Activation mechanism of GPR132 by 9(S)-HODE Deposited 2022-12-13 | Different construct Different oligomeric state Different ligand/ion 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 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 ligand/ion 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 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 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 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 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 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 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 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 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 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 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(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 oligomeric state Different ligand/ion Different experimental method 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 oligomeric state Different ligand/ion Different experimental method 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain R
23–127(105 aa)
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.30 Å |
| 8JJ8 Cryo-EM structure of the beta2AR-mBRIL/1b3 Fab/Glue complex with a partial agonist Deposited 2023-05-29 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain F
23–128(106 aa)
|
Not recorded | H98 ~{N}-[5-[(1~{R})-2-[[(2~{R})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen NITROGEN
|
Resolution 3.20 Å |
| 8JJL cryo-EM structure of the beta2-AR-mBRIL/1b3 Fab/Glue complex with a full agonist Deposited 2023-05-30 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | DZQ Olodaterol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen NITROGEN
|
Resolution 3.20 Å |
| 8JLJ T1AM-bound mTAAR1-Gs protein complex Deposited 2023-06-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
23–128(106 aa)
|
Mutation:M15W,H110I,R114L | UJF 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.10 Å |
| 8JLK Ulotaront(SEP-363856)-bound mTAAR1-Gs protein complex Deposited 2023-06-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
23–128(106 aa)
|
Mutation:M15W,H110I,R114L | UJL 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.22 Å |
| 8JLN T1AM-bound hTAAR1-Gs protein complex Deposited 2023-06-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
23–128(106 aa)
|
Mutation:M29W,H124I,R128L | UJF 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.24 Å |
| 8JLO Ulotaront(SEP-363856)-bound hTAAR1-Gs protein complex Deposited 2023-06-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain R
23–128(106 aa)
|
Mutation:M29W,H124I,R128L | UJL 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.52 Å |
| 8JLP Ralmitaront(RO-6889450)-bound hTAAR1-Gs protein complex Deposited 2023-06-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain R
23–128(106 aa)
|
Mutation:M29W,H124I,R128L | UJU 5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.23 Å |
| 8JLQ Fenoldopam-bound hTAAR1-Gs protein complex Deposited 2023-06-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
23–128(106 aa)
|
Mutation:M29W,H124I,R128L | G3C (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.84 Å |
| 8JLR A77636-bound hTAAR1-Gs protein complex Deposited 2023-06-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
23–128(106 aa)
|
Mutation:M29W,H124I,R128L | VRK (1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 8JMT Structure of the adhesion GPCR ADGRL3 in the apo state Deposited 2023-06-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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 oligomeric state Different ligand/ion | 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 oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain R
23–127(105 aa)
|
Not recorded | SIN SUCCINIC ACID × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å |
| 8JSO AMPH-bound hTAAR1-Gs protein complex Deposited 2023-06-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
23–127(105 aa)
|
Not recorded | CLR CHOLESTEROL × 5 PLM PALMITIC ACID × 2 J40 [(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate × 1 EZX 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 3.00 Å |
| 8JT8 Crystal structure of 5-HT2AR in complex with (R)-IHCH-7179 Deposited 2023-06-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 oligomeric state Different ligand/ion 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 ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 6 PDB declaration: hexameric |
Chain R
23–127(105 aa)
|
Not recorded | CLR CHOLESTEROL × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å |
| 8K4S CryoEM structure of Gq coupled MRGPRX4 with agonist DCA-3P Deposited 2023-07-20 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions | 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 oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
23–127(105 aa)
|
Not recorded | J3O Fenofibrate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.88 Å |
| 8K9K Full agonist-bound mu-type opioid receptor-G protein complex Deposited 2023-08-01 | Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 6 PDB declaration: hexameric |
Chain R
23–128(106 aa)
|
Mutation:M7W,H102I,R106L | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.98 Å |
| 8KEX CryoEM structure of Gq coupled MRGPRX4 with agonist DCA-3P, local Deposited 2023-08-14 | Different construct Different oligomeric state Different ligand/ion 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 oligomeric state 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–123(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 ligand/ion 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | CLR CHOLESTEROL × 3 OLA OLEIC ACID × 4 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 A1H1S 2-azanyl-4-(4-hydroxyphenyl)-6-(1~{H}-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.2;293 K;23% (w/v) PEG400, 90 mM sodium thiocyanate, 100 mM sodium citrate pH 5.2, and 2% (w/v) 2,5 hexandiol
|
Resolution 2.43 Å R-free 0.281 |
| 8RQQ In meso structure of the adenosine A2a G protein-coupled receptor, A2aR, in 7.10 monoacylglycerol Deposited 2024-01-19 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | A1H3H 1,3-diethyl-8-[(~{E})-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione × 1 OLA OLEIC ACID × 16 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5.85;293 K;0.1 M sodium potassium phosphate pH 5.85, 27-30% PEG 500 MME, 0.2 M sodium thiocyanate, 0.4 mM StilSwitch3
|
Resolution 3.05 Å R-free 0.347 |
| 8T1V Crystal structure of orphan G protein-coupled receptor 6 with bound inverse agonist 3h Deposited 2023-06-04 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | XY8 3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;NaCH3COO, PEG 400, NaCl, PPG P40
|
Resolution 2.60 Å R-free 0.258 |
| 8T1W Crystal structure of orphan G protein-coupled receptor 6 with bound CVN424 Deposited 2023-06-04 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain R
23–127(105 aa)
|
Not recorded | ZOB 6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.94 Å |
| 8TF5 Crystal structure of orphan G protein-coupled receptor 6, pseudoapo form Deposited 2023-07-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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: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 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain A
24–127(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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer;Protein × 5 PDB declaration: pentameric |
Chain A
23–128(106 aa)
Chain B
23–128(106 aa)
Chain C
23–128(106 aa)
Chain D
23–128(106 aa)
Chain E
23–128(106 aa)
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 10 EPJ EPIBATIDINE × 5 I34 N-(5-Chloro-2,4-dimethoxyphenyl)-N'-(5-methyl-3-isoxazolyl)-urea × 5 CA CALCIUM ION × 3 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.31 Å |
| 8VHF Cryo-EM structure of GPR119-Gs-Nb35 complex with small molecule agonist MBX-2982 Deposited 2024-01-01 | Different construct Different oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
23–127(105 aa)
|
Not recorded | CLR CHOLESTEROL × 5 PLM PALMITIC ACID × 1 UJL 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 8W8Q Cryo-EM structure of the GPR101-Gs complex Deposited 2023-09-04 | Different construct Different oligomeric state Different ligand/ion 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 | Parsed fields agree | 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 | Parsed fields agree | 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 oligomeric state Different ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Mutation: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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–127(105 aa)
|
Mutation:M217W,H313I | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen NITROGEN
|
Resolution 3.50 Å |
| 8X5Y CryoEM structure of the histamine H1 receptor-BRIL/Anti BRIL Fab complex with astemizole Deposited 2023-11-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–65(43 aa)
Chain B
77–127(51 aa)
|
Not recorded | XB7 1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen NITROGEN
|
Resolution 3.00 Å |
| 8X63 CryoEM structure of the histamine H1 receptor-BRIL/Anti BRIL Fab complex with mepyramine Deposited 2023-11-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain B
23–65(43 aa)
Chain B
77–127(51 aa)
|
Not recorded | Y5E mepyramine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen NITROGEN
|
Resolution 3.20 Å |
| 8X64 CryoEM structure of the histamine H1 receptor-BRIL/Anti BRIL Fab complex with desloratadine Deposited 2023-11-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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 oligomeric state Different ligand/ion 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 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 ligand/ion 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 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 conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain C
23–127(105 aa)
Chain D
23–127(105 aa)
|
Not recorded | CLR CHOLESTEROL × 4 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.95 Å |
| 8XV2 Thiamine-bound human SLC19A3 Deposited 2024-01-14 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | VIB 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.70 Å |
| 8XV5 Pyridoxamine-bound human SLC19A3 Deposited 2024-01-14 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | PXM 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.70 Å |
| 8XV9 Fedratinib-bound human SLC19A3 Deposited 2024-01-14 | Different construct Different oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 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 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 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 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 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 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 ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion 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 ligand/ion 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 ligand/ion 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 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 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 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
22–128(107 aa)
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 6.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.30 Å |
| 8ZMF Crystal structure of an inverse agonist antipsychotic drug derivative-bound 5-HT2C Deposited 2024-05-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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:M29W,H124I,R128L,C360N | A1L10 1-[(4-fluorophenyl)methyl]-1-[(8~{S})-5-methyl-5-azaspiro[2.5]octan-8-yl]-3-[[4-(2-methylpropoxy)phenyl]methyl]urea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;293 K;18-24% PEG300, 40-60 mM ammonium phosphate dibasic
|
Resolution 3.60 Å R-free 0.285 |
| 8ZMG Crystal structure of an inverse agonist antipsychotic drug pimavanserin-bound 5-HT2A Deposited 2024-05-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–62(40 aa)
Chain A
88–128(41 aa)
|
Mutation:S162K,M164W,M29W,H124I,R128L,R315G Mutation:S162K,M164W,M29W,H124I,R128L,R315G | A1L11 Pimavanserin × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 6;293 K;32-38%PEG300, 40-60mM lithium chloride
|
Resolution 3.40 Å R-free 0.328 |
| 8ZMG Crystal structure of an inverse agonist antipsychotic drug pimavanserin-bound 5-HT2A Deposited 2024-05-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 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 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain D
21–127(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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain D
21–127(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 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: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 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 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 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 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 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 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
23–127(105 aa)
|
Not recorded | 7LD (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 2.32 Å |
| 9C3F Cryo-EM structure of E. coli AmpG Deposited 2024-05-31 | Different construct Different oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | URC URIC ACID × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5;4 degree cold buffer pH7.5 (300mM NaCl, 50mM Tris and 0.02% GDN)
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.15 Å |
| 9DNG Structure of rat beta-arrestin 1 by fiducial-assisted cryo-EM Deposited 2024-09-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 3 PDB declaration: trimeric |
Chain A
23–128(106 aa)
|
Mutation:M29W, H124I, R128L | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.52 Å |
| 9DNM Structure of rat beta-arrestin 1 bound to allosteric inhibitor Deposited 2024-09-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different 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 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 oligomeric state Different ligand/ion 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 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 conditions | 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 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 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 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 structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain A
24–128(105 aa)
Chain B
24–128(105 aa)
|
Mutation:M232W, H327I, R331L Mutation:M232W, H327I, R331L | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å |
| 9EE5 Cryo-EM structure of the ONO2550289-bound prostaglandin D2 receptor (DP1)-bRIL-Fab complex Deposited 2024-11-18 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain A
23–128(106 aa)
|
Not recorded | A1BIL [2-chloro-5-(2,6-dimethyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}benzamido)phenyl]acetic acid × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.89 Å |
| 9EI5 Cryo-EM structure of Apo form of prostaglandin D2 receptor (DP1)-bRIL-Fab complex Deposited 2024-11-25 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain A
23–128(106 aa)
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.84 Å |
| 9EKH Cryo-EM structure ONO3030297-bound prostaglandin D2 receptor (DP1)-bRIL-Fab complex Deposited 2024-12-02 | Different construct Different oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 11 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 JQ9 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE;pH 5;293 K;0.1 M tri-sodium citrate pH 5.0, 50 mM sodium thiocyanate, 29-30% (v/v) PEG 400, 1% (v/v) 1,6-hexanediol
|
Resolution 2.50 Å R-free 0.288 |
| 9GYO CryoEM structure of Gs-coupled GPBAR with small molecule agonist P395 Deposited 2024-10-02 | Different construct Different oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | 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 oligomeric state Different ligand/ion 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 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 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 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 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 mutation/modification Different oligomeric state Different ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 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 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
22–127(106 aa)
|
Not recorded | A1EB7 Balovaptan × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.60 Å |
| 9JKQ Cryo-EM structure of the METH-bound hTAAR1-Gs complex Deposited 2024-09-16 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
23–128(106 aa)
|
Not recorded | B40 (2S)-N-methyl-1-phenylpropan-2-amine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.66 Å |
| 9JOZ outward-open hSLC19A1 Deposited 2024-09-25 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.94 Å |
| 9JRI outward-open hSLC19A1 + 5-MTHF Deposited 2024-09-29 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | C2F 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.43 Å |
| 9JRK outward-open hSLC19A1 + MTX Deposited 2024-09-29 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | MTX METHOTREXATE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.44 Å |
| 9JRL outward-open hSLC19A1 + PT523 Deposited 2024-09-29 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | COP N-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-BUTYL)-PHTHALAMIC ACID × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.25 Å |
| 9JRM outward-open hSLC19A1 + 2'3'-CDAS Deposited 2024-09-29 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | GJF (1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.34 Å |
| 9JRN outward-open hSLC19A1 + TPP Deposited 2024-09-29 | Different construct Different oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain A
23–127(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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain A
23–127(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 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 conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer;Protein × 5 PDB declaration: pentameric |
Chain A
23–128(106 aa)
Fragment:BRIL-3X
Chain B
23–128(106 aa)
Fragment:BRIL-3X
Chain C
23–128(106 aa)
Fragment:BRIL-3X
Chain D
23–128(106 aa)
Fragment:BRIL-3X
Chain E
23–128(106 aa)
Fragment:BRIL-3X
|
Mutation:M29W,H124I,R128L Mutation:M29W,H124I,R128L Mutation:M29W,H124I,R128L Mutation:M29W,H124I,R128L Mutation:M29W,H124I,R128L | CA CALCIUM ION × 5 CL CHLORIDE ION × 10 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.18 Å |
| 9KFI Cryo-EM structure of the human relaxin family peptide receptor 3 in complex with relaxin-3 and G protein Deposited 2024-11-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 7 PDB declaration: heptameric |
Chain C
23–128(106 aa)
|
Mutation:M29W, H124I, R128L | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.91 Å |
| 9KFJ Cryo-EM structure of the compound 4-bound human relaxin family peptide receptor 3 (RXFP3)-Gi complex Deposited 2024-11-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain C
23–128(106 aa)
|
Mutation:M29W, H124I, R128L | IYF 1-[2-(4-chlorophenyl)ethyl]-3-[(7-ethyl-5-oxidanyl-1H-indol-3-yl)methylideneamino]guanidine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.10 Å |
| 9KFK Cryo-EM structure of the relaxin-3-bound human relaxin family peptide receptor 4 (RXFP4)-Gi complex Deposited 2024-11-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 7 PDB declaration: heptameric |
Chain R
23–128(106 aa)
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.95 Å |
| 9KKN Cryo-EM structure of human VAChT in complex with ACh Deposited 2024-11-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Mutation:M8W,H103I,R107L | ACH ACETYLCHOLINE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.72 Å |
| 9KKO Cryo-EM structure of human VAChT in apo state Deposited 2024-11-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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 conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer;Protein × 5 PDB declaration: pentameric |
Chain A
23–128(106 aa)
Chain B
23–128(106 aa)
Chain C
23–128(106 aa)
Chain D
23–128(106 aa)
Chain E
23–128(106 aa)
|
Not recorded | CA CALCIUM ION × 5 CL CHLORIDE ION × 10 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.18 Å |
| 9KQ5 Cryo-EM structure of human VAChT at protonated state Deposited 2024-11-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Mutation:M8W,H103I,R107L | No recorded non-water small molecule | ELECTRON MICROSCOPY mmCIF provides none of the parsed conditions | Resolution 3.21 Å |
| 9KQ8 Cryo-EM structure of human VMAT2 in complex with valbenazine Deposited 2024-11-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Mutation:M8W,H103I,R107L | XW7 valbenazine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.38 Å |
| 9KQA Cryo-EM structure of human VMAT2 in complex with Tetrabenazine Deposited 2024-11-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Mutation:M8W,H103I,R107L | EBZ (3S,5R,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.28 Å |
| 9KQE Cryo-EM structure of human VMAT2 in complex with dopamine. Deposited 2024-11-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Mutation:M8W,H103I,R107L | LDP L-DOPAMINE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 9KQM Cryo-EM structure of human VAChT in complex with VSM Deposited 2024-11-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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 mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain A
23–127(105 aa)
|
Mutation:F259D | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.90 Å |
| 9L9O Cryo-EM structure of apo GPR50 with BRIL fusion, anti-BRIL Fab, and anti-Fab Nb complex Deposited 2024-12-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain A
23–127(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 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 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 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 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 conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain R
23–128(106 aa)
Fragment:residues 1-25 of the 5-HT receptor deleted
|
Mutation:L125W | YLX Buspirone × 1 CLR CHOLESTEROL × 4 J40 [(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE;Blot force 3 for 3-5 seconds was used and subsequent grids were screened for ice thickness prior to data collection.
|
Resolution 3.03 Å |
| 9MD1 Buspirone-bound serotonin 1A (5-HT1A) receptor-Gz protein complex Deposited 2024-12-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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 oligomeric state Different ligand/ion Different experimental conditions | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
23–127(105 aa)
|
Not recorded | GOQ 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 2.90 Å |
| 9P1S A2AR-BRIL in complex with ZM241385 and PGD2 Deposited 2025-06-10 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Not recorded | LMN Lauryl Maltose Neopentyl Glycol × 1 ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.34 Å |
| 9P1T A2AR-BRIL in complex with ZM241385 Deposited 2025-06-10 | Different construct Different oligomeric state Different ligand/ion 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 method 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 method 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 method 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 method 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 method 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 method 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 method 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 method 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 method 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 method 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 method 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 method 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain R
23–123(101 aa)
|
Not recorded | CLR CHOLESTEROL × 2 A1CMV 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide × 1 VSN 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å |
| 9PY4 Primed-state loperamide-mu opioid receptor-Gi GDPbS complex (rebound) Deposited 2025-08-06 | Different construct Different oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer;Protein × 3 PDB declaration: trimeric |
Chain A
1–128(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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 ligand/ion 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 ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 6 PDB declaration: hexameric |
Chain R
23–127(105 aa)
|
Not recorded | CLR CHOLESTEROL × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.70 Å |
| 9UVT Cryo-EM structure of bradykinin B2 receptor (B2R)-BRIL/anti BRIL SRP2070 Fab antibody complex with icatibant Deposited 2025-05-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain A
23–128(106 aa)
|
Mutation:M258W/H353I/R357L | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
|
Resolution 3.29 Å |
| 9UVU Cryo-EM structure of bradykinin B2 receptor (B2R)-BRIL/anti BRIL SRP2070 Fab antibody complex with icatibant, focused on receptor Deposited 2025-05-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 2 PDB declaration: dimeric |
Chain A
23–128(106 aa)
|
Mutation:M258W/H353I/R357L | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
|
Resolution 3.69 Å |
| 9UVV Cryo-EM structure of Vasopressin receptor 2 (V2R)-BRIL/anti BRIL SRP2070 Fab antibody complex with tolvaptan Deposited 2025-05-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 3 PDB declaration: trimeric |
Chain A
23–128(106 aa)
|
Mutation:M243W/H338I/R342L | A1IT8 (R)-Tolvaptan × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
|
Resolution 3.02 Å |
| 9UVW Cryo-EM structure of Vasopressin receptor 2 (V2R)-BRIL/anti BRIL SRP2070 Fab antibody complex with tolvaptan, focused on receptor Deposited 2025-05-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–128(106 aa)
|
Mutation:M243W/H338I/R342L | A1IT8 (R)-Tolvaptan × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
|
Resolution 2.89 Å |
| 9UVX Cryo-EM structure of Vasopressin receptor 2 (V2R)-BRIL/anti BRIL SRP2070 Fab antibody complex with OPC51803, focused on receptor Deposited 2025-05-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental 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 oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Monomer;Protein × 1 PDB declaration: monomeric |
Chain A
23–127(105 aa)
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.41 Å |
| 9UY3 Anamorelin bound growth hormone secretagogue receptor in complex with Gq Deposited 2025-05-14 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
23–128(106 aa)
|
Not recorded | CLR CHOLESTEROL × 2 A1ESD 2-azanyl-N-[(2R)-1-[(3S)-3-[dimethylamino(methyl)carbamoyl]-3-(phenylmethyl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.3
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.52 Å |
| 9V2N Macimorelin bound growth hormone secretagogue receptor in complex with Gq Deposited 2025-05-20 | Different construct Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain R
30–127(98 aa)
|
Not recorded | A1ES4 (2~{S})-1-(1~{H}-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol × 1 CLR CHOLESTEROL × 2 T7M (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.74 Å |
| 9VNY Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with CYM5442 Deposited 2025-07-01 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain F
23–128(106 aa)
|
Not recorded | A1L3G 2-[[(1~{R})-4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1~{H}-inden-1-yl]amino]ethanol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.69 Å |
| 9VNZ Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with HY-X-1011 Deposited 2025-07-01 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain F
23–128(106 aa)
|
Not recorded | A1ESY [(2~{S})-2-azanyl-2-[[4-[5-[4-cyclohexyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-fluoranyl-phenyl]methyl]-3-oxidanyl-propyl] dihydrogen phosphate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.79 Å |
| 9VO0 Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with Ponesimod Deposited 2025-07-01 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain F
23–128(106 aa)
|
Not recorded | A1ESZ (2~{Z},5~{Z})-5-[[4-[(2~{R})-2,3-bis(oxidanyl)propoxy]-3-chloranyl-phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.79 Å |
| 9VO1 Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with SAR247799 Deposited 2025-07-01 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 5 PDB declaration: pentameric |
Chain F
23–128(106 aa)
|
Not recorded | A1LYQ SAR247799 × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.97 Å |
| 9W0P CryoEM structure of T2R14 in complex with chlorhexidine and heterotrimeric G protein complex Deposited 2025-07-24 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer;Protein × 4 PDB declaration: tetrameric |
Chain R
23–128(106 aa)
|
Not recorded | XC9 1-[6-[azanylidene-[[azanylidene-[[(4-chlorophenyl)amino]methyl]-$l^{4}-azanyl]methyl]-$l^{4}-azanyl]hexyl]-3-[~{N}-(4-chlorophenyl)carbamimidoyl]guanidine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE;blot for 1s
|
Resolution 3.60 Å |
| 9W0Q Cryo-EM structure of T2R14 in complex with tangeretin and heterotrimeric G protein Deposited 2025-07-24 | Different construct Different oligomeric state Different ligand/ion 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 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 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 oligomeric state Different ligand/ion 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 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 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 oligomeric state Different ligand/ion 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 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 R; PDBConstruct 11–115; UniProt 23–127 |