ADENOSINE RECEPTOR A2A
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 × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain A； UniProt 1–308 | Mutation：YES | ENGINEERED DOMAIN OF HUMAN G ALPHA S LONG ISOFORM × 1 （P63092,Q5JWF2） NEC N-ETHYL-5'-CARBOXAMIDO ADENOSINE × 1 SOG octyl 1-thio-beta-D-glucopyranoside × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：pH 5.5；0.1 M NAOAC PH 5.5, 10% PEG 2000 (IN THE PRESENCE OF CHS); OR 0.1 M NAOAC PH 5.7, 9.5% PEG 2000 MME (IN THE ABSENCE OF CHS) | Resolution 3.40 Å R-free 0.315 |
| 2 | Insufficient information Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain B； UniProt 1–308 | Mutation：YES | ENGINEERED DOMAIN OF HUMAN G ALPHA S LONG ISOFORM × 1 （P63092,Q5JWF2） NEC N-ETHYL-5'-CARBOXAMIDO ADENOSINE × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：pH 5.5；0.1 M NAOAC PH 5.5, 10% PEG 2000 (IN THE PRESENCE OF CHS); OR 0.1 M NAOAC PH 5.7, 9.5% PEG 2000 MME (IN THE ABSENCE OF CHS) | Resolution 3.40 Å R-free 0.315 |
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 5G53 | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 10KT Crystal structure of A2A adenosine receptor A2AR-bRIL in complex with Compound50 Deposited 2026-01-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–316（98 aa）
|
Not recorded | NA SODIUM ION × 1 A1C5S (4%{S})-2-[(3%{R},6%{S})-1-(1-ethyl-1%{H}-pyrazol-4-yl)-6-methylpiperidin-3-yl]-7-methoxy[1,2,4]triazolo[1,5-%{c}]quinazolin-5-amine × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 17 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 PEG DI(HYDROXYETHYL)ETHER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；0.1 M sodium citrate buffer pH 5.0, 0.02-0.04 M Na thiocyanate, 27-30% PEG400, and 2% (v/v) 2, 5-Hexanediol
|
Resolution 2.59 Å R-free 0.243 |
| 2YDO Thermostabilised HUMAN A2a Receptor with adenosine bound Deposited 2011-03-23 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–317（317 aa）
Fragment：RESIDUES 1-317
|
Mutation：YES | ADN ADENOSINE × 1 SOG octyl 1-thio-beta-D-glucopyranoside × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.6；0.05 M TRISHCL, PH 7.6, 9.6% PEG 200, 22.9%. PEG 300
|
Resolution 3.00 Å R-free 0.269 |
| 2YDV Thermostabilised HUMAN A2a Receptor with NECA bound Deposited 2011-03-24 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–317（317 aa）
Fragment：RESIDUES 1-317
|
Mutation：YES | NEC N-ETHYL-5'-CARBOXAMIDO ADENOSINE × 1 SOG octyl 1-thio-beta-D-glucopyranoside × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.4；0.05 M ADA NAOH, PH 6.4, 23.6% V/V PEG 400, 4% V/V 2-PROPANOL.
|
Resolution 2.60 Å R-free 0.258 |
| 3EML The 2.6 A Crystal Structure of a Human A2A Adenosine Receptor bound to ZM241385. Deposited 2008-09-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
222–316（95 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 STE STEARIC ACID × 5 SO4 SULFATE ION × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；293 K；PEG400 30%v/v, LiSO4 185mM, NaCitrate 100mM, pH 6.5, Lipidic mesophase, temperature 293K
|
Resolution 2.60 Å R-free 0.231 |
| 3PWH Thermostabilised Adenosine A2A Receptor Deposited 2010-12-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–317（317 aa）
Fragment：residues 1-317
|
Mutation：A54L T88A K122A V239A R107A L202A L235A S277A | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.1；277 K；32-42% PEG1000, 0.25M MgCl2, 0.3% NG, 0.1%(w/v) 1-Butanol, 0.05% CYMAL-6, pH 8.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 3.30 Å R-free 0.316 |
| 3QAK Agonist bound structure of the human adenosine A2a receptor Deposited 2011-01-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
222–316（95 aa）
|
Not recorded | UKA 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；PEG400 30%v/v, MgCl2 200mM, pH 5.0, Lipidic cubic phase, temperature 293K
|
Resolution 2.71 Å R-free 0.273 |
| 3REY Thermostabilised adenosine A2A receptor in complex with XAC Deposited 2011-04-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–317（317 aa）
Fragment：residues 1-317
|
Mutation：A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A | XAC N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.2；277 K；32-42% PEG1000, 0.25M MGCL2, 0.3% NG, 0.1%(W/V) 1-BUTANOL, 0.05% CYMAL-6, 0.1M TRIS-HCL(PH 8.1), VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 3.31 Å R-free 0.319 |
| 3RFM Thermostabilised adenosine A2A receptor in complex with caffeine Deposited 2011-04-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–317（317 aa）
Fragment：residues 1-317
|
Mutation：A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A | CFF CAFFEINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.2；277 K；32-42% PEG1000, 0.25M MGCL2, 0.3% NG, 0.1%(W/V) 1-BUTANOL, 0.05% CYMAL-6, 0.1M TRIS-HCL,, pH 8.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 3.60 Å R-free 0.311 |
| 3UZA Thermostabilised Adenosine A2A receptor in complex with 6-(2,6-Dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine Deposited 2011-12-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–317（317 aa）
Fragment：residues 1-317
|
Mutation：A54L T88A R107A K122A L202A L235A V239A S277A | T4G 6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；32-42% PEG1000, 0.25M MGCL2, 0.3% NG, 0.1%(W/V) 1-BUTANOL, 0.05% CYMAL-6, 0.1M TRIS-HCL, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 3.27 Å R-free 0.335 |
| 3UZC Thermostabilised Adenosine A2A receptor in complex with 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol Deposited 2011-12-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–317（317 aa）
Fragment：residues 1-317
|
Mutation：A54L T88A R107A K122A L202A L235A V239A S277A | T4E 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；32-42% PEG1000, 0.25M MGCL2, 0.3% NG, 0.1%(W/V) 1-BUTANOL, 0.05% CYMAL-6, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 3.34 Å R-free 0.290 |
| 3VG9 Crystal structure of human adenosine A2A receptor with an allosteric inverse-agonist antibody at 2.7 A resolution Deposited 2011-08-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–316（316 aa）
Fragment：UNP residues 1-316
|
Mutation：N154Q | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 STE STEARIC ACID × 6 LMT DODECYL-BETA-D-MALTOSIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；30% PEG 400, 0.1M MES, 0.2M magnesium chloride, 0.5% octhyl thioglucoside, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.70 Å R-free 0.246 |
| 3VGA Crystal structure of human adenosine A2A receptor with an allosteric inverse-agonist antibody at 3.1 A resolution Deposited 2011-08-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–316（316 aa）
Fragment：UNP residues 1-316
|
Mutation：N154Q | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；30% PEG 400, 0.1M MES, 0.2M magnesium chloride, 0.5% octhyl thioglucoside , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.10 Å R-free 0.263 |
| 4EIY Crystal structure of the chimeric protein of A2aAR-BRIL in complex with ZM241385 at 1.8A resolution Deposited 2012-04-06 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Mutation：M215W, H310I, R314L Mutation：M215W, H310I, R314L | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 16 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 PEG DI(HYDROXYETHYL)ETHER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；293 K；25-28% (v/v) PEG 400, 0.04-0.06M sodium thiocyanate, 2% (v/v) 2,5-hexanediol, 100mM sodium citrate, pH 5.0, Lipid Cubic Phase (LCP), temperature 293K
|
Resolution 1.80 Å R-free 0.213 |
| 4UG2 Thermostabilised HUMAN A2a Receptor with CGS21680 bound Deposited 2015-03-21 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–317（317 aa）
|
Mutation：YES | OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 NGI 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.1M ADA, PH7.0, 21.6% PEG 600, 10% CHS
|
Resolution 2.60 Å R-free 0.271 |
| 4UG2 Thermostabilised HUMAN A2a Receptor with CGS21680 bound Deposited 2015-03-21 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–317（317 aa）
|
Mutation：YES | OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 NGI 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.1M ADA, PH7.0, 21.6% PEG 600, 10% CHS
|
Resolution 2.60 Å R-free 0.271 |
| 4UHR Thermostabilised HUMAN A2a Receptor with CGS21680 bound Deposited 2015-03-25 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–317（317 aa）
|
Mutation：YES | NGI 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.05 M ACETATE-HCL (PH4.8), 6% SUCROSE, 21.9% PENTHAETHYLENE GLYCOL
|
Resolution 2.60 Å R-free 0.312 |
| 5IU4 Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with ZM241385 at 1.7A resolution Deposited 2016-03-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–318（100 aa）
|
Mutation：;A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A ; Mutation：;A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, L235A, V239A, S277A ; | NA SODIUM ION × 1 ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 20 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES pH 5.5, 0.2M K/Na tartrate, 27.5-40% PEG400, 0.5-1% (v/v) (+/-)-2-methyl-2,4-pentanediol
|
Resolution 1.72 Å R-free 0.200 |
| 5IU7 Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12c at 1.9A resolution Deposited 2016-03-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–315（97 aa）
|
Mutation：;A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A ; Mutation：;A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A ; | NA SODIUM ION × 1 6DY 2-(furan-2-yl)-N~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 18 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.lM tri-sodium citrate pH 5.3-5.4, 0.05M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol
|
Resolution 1.90 Å R-free 0.198 |
| 5IU8 Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12f at 2.0A resolution Deposited 2016-03-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–315（97 aa）
|
Mutation：;A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A ; Mutation：;A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A ; | NA SODIUM ION × 1 6DZ 2-(furan-2-yl)-N~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine × 1 HTO HEPTANE-1,2,3-TRIOL × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 19 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES pH 5.5, 0.2M K/Na tartrate, 33.5% PEG400, 0.5% (v/v) 1,2,3-heptanetriol
|
Resolution 2.00 Å R-free 0.200 |
| 5IUA Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12b at 2.2A resolution Deposited 2016-03-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–315（97 aa）
|
Mutation：;A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A ; Mutation：;A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A ; | NA SODIUM ION × 1 6DX 2-(furan-2-yl)-N~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 17 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.lM tri-sodium citrate pH 5.3-5.4, 0.05M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol
|
Resolution 2.20 Å R-free 0.233 |
| 5IUB Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12x at 2.1A resolution Deposited 2016-03-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–315（97 aa）
|
Mutation：;A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A ; Mutation：;A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A,A54L, T88A, R107A, K122A, L202A, L235A, V239A, S277A ; | NA SODIUM ION × 1 6DV N~5~-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2-(furan-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 16 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES pH 5.5, 0.2M K/Na tartrate, 27.5-40% PEG400, 0.5-1% (v/v) (+/-)-2-methyl-2,4-pentanediol
|
Resolution 2.10 Å R-free 0.218 |
| 5JTB Crystal structure of the chimeric protein of A2aAR-BRIL with bound iodide ions Deposited 2016-05-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Fragment：;UNP Residues 2-208,UNP Residues 23-217,UNP Residues 219-316,UNP Residues 2-208,UNP Residues 23-217,UNP Residues 219-316,UNP Residues 2-208,UNP Residues 23-217,UNP Residues 219-316
;
Chain A
219–316（98 aa）
Fragment：;UNP Residues 2-208,UNP Residues 23-217,UNP Residues 219-316,UNP Residues 2-208,UNP Residues 23-217,UNP Residues 219-316,UNP Residues 2-208,UNP Residues 23-217,UNP Residues 219-316
;
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 3 IOD IODIDE ION × 6 PEG DI(HYDROXYETHYL)ETHER × 2 OLA OLEIC ACID × 4 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；in meso lipidic cubic phase crystallization
|
Resolution 2.80 Å R-free 0.294 |
| 5K2A 2.5 angstrom A2a adenosine receptor structure with sulfur SAD phasing using XFEL data Deposited 2016-05-18 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 10 OLA OLEIC ACID × 10 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；28 % (v/v) PEG 400, 40 mM sodium thiocyanate and 100 mM sodium citrate buffer pH 5.0
|
Resolution 2.50 Å R-free 0.228 |
| 5K2B 2.5 angstrom A2a adenosine receptor structure with MR phasing using XFEL data Deposited 2016-05-18 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 9 OLA OLEIC ACID × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；28 % (v/v) PEG 400, 40 mM sodium thiocyanate and 100 mM sodium citrate buffer pH 5.0
|
Resolution 2.50 Å R-free 0.219 |
| 5K2C 1.9 angstrom A2a adenosine receptor structure with sulfur SAD phasing and phase extension using XFEL data Deposited 2016-05-18 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 10 OLA OLEIC ACID × 11 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；28 % (v/v) PEG 400, 40 mM sodium thiocyanate and 100 mM sodium citrate buffer pH 5.0
|
Resolution 1.90 Å R-free 0.208 |
| 5K2D 1.9A angstrom A2a adenosine receptor structure with MR phasing using XFEL data Deposited 2016-05-18 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 8 OLA OLEIC ACID × 11 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；28 % (v/v) PEG 400, 40 mM sodium thiocyanate and 100 mM sodium citrate buffer pH 5.0
|
Resolution 1.90 Å R-free 0.207 |
| 5MZJ Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with theophylline at 2.0A resolution Deposited 2017-01-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–318（100 aa）
|
Mutation：A54L, T88A, R107A, K122A, N154A, L202A,M1007W,L235A, V239A, S277A, G318A Mutation：A54L, T88A, R107A, K122A, N154A, L202A,M1007W,L235A, V239A, S277A, G318A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE,
27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.00 Å R-free 0.204 |
| 5MZP Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with caffeine at 2.1A resolution Deposited 2017-02-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：;A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A ; Mutation：;A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A ; | NA SODIUM ION × 1 CFF CAFFEINE × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 18 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 TAR D(-)-TARTARIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE,
27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.10 Å R-free 0.220 |
| 5N2R Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with PSB36 at 2.8A resolution Deposited 2017-02-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
234–318（85 aa）
|
Mutation：;A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A ; Mutation：;A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, L235A, V239A, S277A, G318A ; | NA SODIUM ION × 1 8JN 1-butyl-3-[(~{E})-3-oxidanylprop-1-enyl]-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 21 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 5 TAR D(-)-TARTARIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.80 Å R-free 0.229 |
| 5NLX A2A Adenosine receptor room-temperature structure determined by serial millisecond crystallography Deposited 2017-04-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Not recorded | OLA OLEIC ACID × 3 NA SODIUM ION × 1 ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；291 K；0.1M sodium citrate pH 5.0, 0.05M sodium thiocyanate, 28-34% PEG400, 5 mM ZM241385, 2% (v/v) 1,6-hexanediol
|
Resolution 2.14 Å R-free 0.229 |
| 5NM2 A2A Adenosine receptor cryo structure Deposited 2017-04-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Not recorded | NA SODIUM ION × 1 ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 OLA OLEIC ACID × 15 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 CLR CHOLESTEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；291 K；0.1M sodium citrate pH 5.0, 0.05M sodium thiocyanate, 28-34% PEG400, 5 mM ZM241385, 2% (v/v) 1,6-hexanedio
|
Resolution 1.95 Å R-free 0.212 |
| 5NM4 A2A Adenosine receptor room-temperature structure determined by serial femtosecond crystallography Deposited 2017-04-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Not recorded | OLA OLEIC ACID × 5 NA SODIUM ION × 1 ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；291 K；0.1M sodium citrate pH 5.0, 0.05M sodium thiocyanate, 28-34% PEG400, 5 mM ZM241385, 2% (v/v) 1,6-hexanediol
|
Resolution 1.70 Å R-free 0.235 |
| 5OLG Structure of the A2A-StaR2-bRIL562-ZM241385 complex at 1.86A obtained from in meso soaking experiments. Deposited 2017-07-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A ; Mutation：;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A ; | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 17 SCN THIOCYANATE ION × 4 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 CIT CITRIC ACID × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293.15 K；Crystal growth: 0.l M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol, 0.5 mM theophylline.
ZM241385 was subsequently added to motherliquor for the soaking experiment at a final concentration of 0.005 mM.
|
Resolution 1.87 Å R-free 0.224 |
| 5OLH Structure of the A2A-StaR2-bRIL562-Vipadenant complex at 2.6A obtained from in meso soaking experiments. Deposited 2017-07-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A ; Mutation：;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A ; | 9XT 3-[(4-azanyl-3-methyl-phenyl)methyl]-7-(furan-2-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine × 1 OLA OLEIC ACID × 15 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293.15 K；Crystal growth: 0.l M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol and 0.5 mM theophylline
Vipadenant was added to the mother liquor to a concentration of 0.005 mM for the soaking experiments.
|
Resolution 2.60 Å R-free 0.249 |
| 5OLO Structure of the A2A-StaR2-bRIL562-Tozadenant complex at 3.1A obtained from in meso soaking experiments. Deposited 2017-07-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
218–318（101 aa）
|
Mutation：A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A Mutation：A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A | 9XW ~{N}-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methyl-4-oxidanyl-piperidine-1-carboxamide × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 10 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 8 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293.15 K；Crystal growth: 0.l M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol and 0.5 mM theophylline
Tozadenant was added to the mother liquor to a concentration of 0.005 mM for the soaking experiments.
|
Resolution 3.10 Å R-free 0.245 |
| 5OLV Structure of the A2A-StaR2-bRIL562-LUAA47070 complex at 2.0A obtained from in meso soaking experiments. Deposited 2017-07-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A ; Mutation：;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A ; | 9Y2 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 13 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293.15 K；Crystal growth: 0.l M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol and 0.5 mM theophylline
LUAA47070 was added to the mother liquor to a concentration of 0.005 mM for the soaking experiments.
|
Resolution 2.00 Å R-free 0.208 |
| 5OLZ Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 1.9A obtained from bespoke co-crystallisation experiments. Deposited 2017-07-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A ; Mutation：;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A ; | T4E 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 15 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 11 TAR D(-)-TARTARIC ACID × 1 PGE TRIETHYLENE GLYCOL × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293.15 K；0.l M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol and 0.005 mM Compound 4e.
|
Resolution 1.90 Å R-free 0.196 |
| 5OM1 Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 2.1A obtained from in meso soaking experiments (1 hour soak). Deposited 2017-07-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A ; Mutation：;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A ; | T4E 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol × 1 NA SODIUM ION × 1 OLA OLEIC ACID × 14 CLR CHOLESTEROL × 4 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 12 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293.15 K；Crystal growth: 0.l M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol and 0.5 mM theophylline
Compound 4e was added to the mother liquor to a concentration of 0.005 mM for the soaking experiments.
|
Resolution 2.10 Å R-free 0.210 |
| 5OM4 Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 1.86A obtained from in meso soaking experiments (24 hour soak). Deposited 2017-07-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A ; Mutation：;A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A,A54L; T88A; R107A; K122A; L202A; L235A; V239A; S277A; N154A ; | T4E 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 16 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 11 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293.15 K；Crystal growth: 0.l M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol and 0.5 mM theophylline
Compound 4e was added to the mother liquor to a concentration of 0.005 mM for the soaking experiments.
|
Resolution 2.00 Å R-free 0.205 |
| 5UIG Crystal structure of adenosine A2A receptor bound to a novel triazole-carboximidamide antagonist Deposited 2017-01-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–208（208 aa）
Chain A
219–316（98 aa）
|
Mutation：M1007W, H1102I, R1106L,M1007W, H1102I, R1106L,M1007W, H1102I, R1106L Mutation：M1007W, H1102I, R1106L,M1007W, H1102I, R1106L,M1007W, H1102I, R1106L | EDT {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 8D1 5-amino-N-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)-2H-1,2,3-triazole-4-carboximidamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.045 M MES, 0.045 M MgCl2, 28% PEG400, 5% Jeffamine M-600 (pH 7.0)
|
Resolution 3.50 Å R-free 0.299 |
| 5UIG Crystal structure of adenosine A2A receptor bound to a novel triazole-carboximidamide antagonist Deposited 2017-01-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–208（208 aa）
Chain A
219–316（98 aa）
|
Mutation：M1007W, H1102I, R1106L,M1007W, H1102I, R1106L,M1007W, H1102I, R1106L Mutation：M1007W, H1102I, R1106L,M1007W, H1102I, R1106L,M1007W, H1102I, R1106L | EDT {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 8D1 5-amino-N-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)-2H-1,2,3-triazole-4-carboximidamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.045 M MES, 0.045 M MgCl2, 28% PEG400, 5% Jeffamine M-600 (pH 7.0)
|
Resolution 3.50 Å R-free 0.299 |
| 5UVI Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation Deposited 2017-02-20 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 OLA OLEIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；0.1 M sodium citrate pH 5.0, 32 % PEG 400, 75 mM sodium thocyanate
|
Resolution 3.20 Å R-free 0.287 |
| 5VRA 2.35-Angstrom In situ Mylar structure of human A2A adenosine receptor at 100 K Deposited 2017-05-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Fragment：UNP P29274 residues 2-208 and 219-316 linked by UNP P0ABE7 residues 23-128
Chain A
219–316（98 aa）
Fragment：UNP P29274 residues 2-208 and 219-316 linked by UNP P0ABE7 residues 23-128
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 OLA OLEIC ACID × 10 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；25-28% PEG400, 0.04-0.06 M sodium thiocyanate, 2% 2,5-hexanediol, and 100 mM sodium citrate pH 5.0
|
Resolution 2.35 Å R-free 0.223 |
| 5WF5 Agonist bound human A2a adenosine receptor with D52N mutation at 2.60 A resolution Deposited 2017-07-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
222–316（95 aa）
|
Mutation：R1012G C1054T C1097A I1137R Mutation：R1012G C1054T C1097A I1137R | UKA 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；296 K；100 mM sodium citrate pH 5, 24-27% (v/v)
polyethylene glycol (PEG) 400, 30-80 mM MgCl 2 , 5% (v/v) Jeffamine M-600 pH 7 (Hampton)
|
Resolution 2.60 Å R-free 0.251 |
| 5WF6 Agonist bound human A2a adenosine receptor with S91A mutation at 2.90 A resolution Deposited 2017-07-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
222–316（95 aa）
|
Mutation：R1012G, C1054T, C1097A, I1137R Mutation：R1012G, C1054T, C1097A, I1137R | UKA 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM sodium citrate pH 5, 24-27% (v/v)
polyethylene glycol (PEG) 400, 30-80 mM MgCl 2 , 5% (v/v) Jeffamine M-600 pH 7 (Hampton)
|
Resolution 2.90 Å R-free 0.288 |
| 6AQF Crystal structure of A2AAR-BRIL in complex with the antagonist ZM241385 produced from Pichia pastoris Deposited 2017-08-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Fragment：;UNP P29274 residues 2-208 and 219-316 linked via UNP P0ABE7 residues 23-128,UNP P29274 residues 2-208 and 219-316 linked via UNP P0ABE7 residues 23-128,UNP P29274 residues 2-208 and 219-316 linked via UNP P0ABE7 residues 23-128
;
Chain A
219–316（98 aa）
Fragment：;UNP P29274 residues 2-208 and 219-316 linked via UNP P0ABE7 residues 23-128,UNP P29274 residues 2-208 and 219-316 linked via UNP P0ABE7 residues 23-128,UNP P29274 residues 2-208 and 219-316 linked via UNP P0ABE7 residues 23-128
;
|
Mutation：M1007W, H1102I, R1106L,M1007W, H1102I, R1106L,M1007W, H1102I, R1106L Mutation：M1007W, H1102I, R1106L,M1007W, H1102I, R1106L,M1007W, H1102I, R1106L | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 3 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 OLA OLEIC ACID × 7 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；26-28 % (v/v) PEG400
40-60 mM sodium thiocyanate
2% (v/v) 2,5-hexanediol
100mM sodium citrate pH 5.0
|
Resolution 2.51 Å R-free 0.256 |
| 6GDG Cryo-EM structure of the adenosine A2A receptor bound to a miniGs heterotrimer Deposited 2018-04-23 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
8–316（309 aa）
Fragment：UNP residues 37-144,UNP residues 8-316
|
Not recorded | NEC N-ETHYL-5'-CARBOXAMIDO ADENOSINE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.11 Å |
| 6GT3 Crystal Structure of the A2A-StaR2-bRIL562 in complex with AZD4635 at 2.0A resolution Deposited 2018-06-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：;A54L, T88A, R107A, K122A, N154A, L202A, M1007W, H1102I, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, H1102I, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, H1102I, L235A, V239A, S277A ; Mutation：;A54L, T88A, R107A, K122A, N154A, L202A, M1007W, H1102I, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, H1102I, L235A, V239A, S277A,A54L, T88A, R107A, K122A, N154A, L202A, M1007W, H1102I, L235A, V239A, S277A ; | NA SODIUM ION × 1 F9Q 6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 15 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.3；293.15 K；0.1 M TRI-SODIUM CITRATE PH 5.3-5.4, 0.05 M SODIUM THIOCYANATE, 29-32% PEG400, 2%(V/V) 2,5-HEXANEDIOL
|
Resolution 2.00 Å R-free 0.201 |
| 6JZH Structure of human A2A adenosine receptor in complex with ZM241385 obtained from SFX experiments under atmospheric pressure Deposited 2019-05-02 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Mutation：N154Q,M29W,H124I,R128L Mutation：N154Q,M29W,H124I,R128L | NA SODIUM ION × 1 ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 OLA OLEIC ACID × 19 CLR CHOLESTEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；27% (v/v) PEG400, 50-mM sodium thiocyanate, 2% (v/v) 2,5-hexanediol, 100-mM sodium citrate (pH 5.0)
|
Resolution 2.25 Å R-free 0.218 |
| 6LPJ A2AR crystallized in EROCOC17+4, LCP-SFX at 277 K Deposited 2020-01-10 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Mutation：M29W, H124I, R128L Mutation：M29W, H124I, R128L | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 D12 DODECANE × 1 MYS PENTADECANE × 6 HEX HEXANE × 1 8K6 Octadecane × 3 D10 DECANE × 1 OCT N-OCTANE × 3 UND UNDECANE × 1 ER0 [(2~{R},3~{S})-2,3,4-tris(oxidanyl)butyl] (5~{R},9~{R},13~{R})-5,9,13,17-tetramethyloctadecanoate × 2 TRD TRIDECANE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM sodium citrate pH5.5, 37% PEG300, 50 mM NaSCN, and 2% 2,5-hexanediol
|
Resolution 1.80 Å R-free 0.207 |
| 6LPK A2AR crystallized in EROCOC17+4, LCP-SFX at 293 K Deposited 2020-01-10 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Mutation：M29W, H124I, R128L Mutation：M29W, H124I, R128L | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 D12 DODECANE × 1 MYS PENTADECANE × 6 HEX HEXANE × 1 8K6 Octadecane × 3 D10 DECANE × 1 OCT N-OCTANE × 3 UND UNDECANE × 1 ER0 [(2~{R},3~{S})-2,3,4-tris(oxidanyl)butyl] (5~{R},9~{R},13~{R})-5,9,13,17-tetramethyloctadecanoate × 2 TRD TRIDECANE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM sodium citrate pH5.5, 37% PEG300, 50 mM NaSCN, and 2% 2,5-hexanediol
|
Resolution 1.80 Å R-free 0.209 |
| 6LPL A2AR crystallized in EROCOC17+4, SS-ROX at 100 K Deposited 2020-01-11 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 D12 DODECANE × 1 MYS PENTADECANE × 6 HEX HEXANE × 1 8K6 Octadecane × 3 D10 DECANE × 1 OCT N-OCTANE × 3 UND UNDECANE × 1 ER0 [(2~{R},3~{S})-2,3,4-tris(oxidanyl)butyl] (5~{R},9~{R},13~{R})-5,9,13,17-tetramethyloctadecanoate × 2 TRD TRIDECANE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM sodium citrate pH5.5, 35-40% PEG400, 50 mM NaSCN, and 2% 2,5-hexanediol
|
Resolution 2.00 Å R-free 0.208 |
| 6MH8 High-viscosity injector-based Pink Beam Serial Crystallography of Micro-crystals at a Synchrotron Radiation Source Deposited 2018-09-17 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；298 K；sodium citrate pH 5.0, PEG 400, sodium thiocyanate
|
Resolution 4.20 Å R-free 0.288 |
| 6PS7 XFEL A2aR structure by ligand exchange from LUF5843 to ZM241385. Deposited 2019-07-12 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 9 CLR CHOLESTEROL × 3 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 OLA OLEIC ACID × 13 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；50mM sodium thiocyanate, 100 mM sodium citrate pH 4.8, and 28% PEG 400, 2 mM of target ligand ZM241385
|
Resolution 1.85 Å R-free 0.201 |
| 6S0Q Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from 50,000 diffraction patterns Deposited 2019-06-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：ADORA2A,ADORA2A,ADORA2A Mutation：ADORA2A,ADORA2A,ADORA2A | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 OLA OLEIC ACID × 7 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 CLR CHOLESTEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；297 K；0.1M sodium citrate pH 5.0, 0.05M sodium thiocyanate, 28-34% PEG400, 5 mM ZM241385, 2% (v/v) 1,6-hexanedio
|
Resolution 2.65 Å R-free 0.221 |
| 6WQA 2.0A angstrom A2a adenosine receptor structure using XFEL data collected in helium atmosphere. Deposited 2020-04-28 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Not recorded | NA SODIUM ION × 1 ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 15 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 5 GOL GLYCEROL × 1 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；PEG400, sodium thiocyanate, sodium citrate
|
Resolution 2.00 Å R-free 0.216 |
| 6ZDR Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 4d Deposited 2020-06-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Not recorded | QGE [3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 11 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；PEG 400; Sodium Citrate; Sodium Thiocyanate; 2,5 Hexanediol
|
Resolution 1.92 Å R-free 0.218 |
| 6ZDV Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 5d Deposited 2020-06-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Not recorded | QGW [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate × 1 NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 OLA OLEIC ACID × 14 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；PEG 400, Sodium Citrate, Sodium Thiocyanate, 2,5 Hexanediol
|
Resolution 2.13 Å R-free 0.224 |
| 7ARO Crystal structure of the non-ribose partial agonist LUF5833 bound to the adenosine A2A receptor Deposited 2020-10-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Not recorded | RVZ 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile × 2 OLA OLEIC ACID × 8 CLR CHOLESTEROL × 2 NA SODIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；300 K；29-32% PEG 400, 0.1M tri-sodium Citrate pH = 5.3-5.4, 0.05M Sodium Thiocyanate, 2.5 % 2,5-hexanediol
|
Resolution 3.12 Å R-free 0.255 |
| 7EZC Adenosine A2a receptor mutant-I92N Deposited 2021-06-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
2–208（207 aa）
Chain A
219–308（90 aa）
Chain B
2–208（207 aa）
Chain B
219–308（90 aa）
|
Mutation：I92N,M1007W Mutation：I92N,M1007W Mutation：I92N,M1007W Mutation：I92N,M1007W | UKA 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 8.2；291 K；100 mM Tris pH 8.2, 30% PEG400 and 0.4 M (NH4)2SO4.
|
Resolution 3.80 Å R-free 0.313 |
| 7IN1 Crystal structure of A2A in complex with TEP for 21h Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.49 Å R-free 0.279 |
| 7IN2 Crystal structure of A2A in complex with 1 mM ZM241385 for 21h Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.43 Å R-free 0.267 |
| 7IN3 Crystal structure of A2A in complex with 5 mM ZM241385 for 21h Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.66 Å R-free 0.262 |
| 7IN4 Crystal structure of A2A in complex with 10 mM ZM241385 for 21h Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.66 Å R-free 0.308 |
| 7IN5 Crystal structure of A2A in complex with TEP for 3h Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.49 Å R-free 0.257 |
| 7IN6 Crystal structure of A2A in complex with 1 mM ZM241385 for 3h Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.52 Å R-free 0.333 |
| 7IN7 Crystal structure of A2A in complex with 5 mM ZM241385 for 3h Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.43 Å R-free 0.271 |
| 7IN8 Crystal structure of A2A in complex with 10 mM ZM241385 for 3h Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.52 Å R-free 0.300 |
| 7IN9 Crystal structure of A2A in complex with Fi16 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COM (3M)-3-(2-methyl-1,3-thiazol-4-yl)pyridine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.54 Å R-free 0.227 |
| 7INA Crystal structure of A2A in complex with F2 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CON 2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide × 1 TEP THEOPHYLLINE × 1 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.15 Å R-free 0.284 |
| 7INB Crystal structure of A2A in complex with F4 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 8ZX 4-methoxybenzamide × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.10 Å R-free 0.266 |
| 7INC Crystal structure of A2A in complex with F7 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COP (1R)-1-(1H-1,3-benzimidazol-2-yl)ethan-1-ol × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.18 Å R-free 0.245 |
| 7IND Crystal structure of A2A in complex with F12 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COO 4-fluorobenzene-1-carbothioamide × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.67 Å R-free 0.258 |
| 7INE Crystal structure of A2A in complex with F35 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 VN9 3,4-dihydro-1~{H}-quinolin-2-one × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.28 Å R-free 0.257 |
| 7INF Crystal structure of A2A in complex with F44 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COQ 2,4-difluorobenzene-1-carbothioamide × 1 TEP THEOPHYLLINE × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.26 Å R-free 0.247 |
| 7ING Crystal structure of A2A in complex with F99 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 ES2 6-chloro-1,3-dihydro-2H-indol-2-one × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.15 Å R-free 0.238 |
| 7INH Crystal structure of A2A in complex with F132 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COR 6-bromo-2-methyl-4H-3,1-benzoxazin-4-one × 1 TEP THEOPHYLLINE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.30 Å R-free 0.282 |
| 7INI Crystal structure of A2A in complex with F135 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COV 5~{H}-pyrido[2,1-b]quinazolin-11-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.57 Å R-free 0.259 |
| 7INJ Crystal structure of A2A in complex with F148 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COW (4-chlorophenyl)[2-(methylsulfanyl)-1H-imidazol-1-yl]methanone × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.10 Å R-free 0.271 |
| 7INK Crystal structure of A2A in complex with F163 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COX methyl 1H-indole-6-carboxylate × 1 TEP THEOPHYLLINE × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.19 Å R-free 0.248 |
| 7INL Crystal structure of A2A in complex with F173 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COY 5-methyl-1,2-oxazole-3-carbothioamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.20 Å R-free 0.250 |
| 7INM Crystal structure of A2A in complex with F178 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 U4D 5-(trifluoromethyl)pyridin-2-one × 1 TEP THEOPHYLLINE × 1 DMS DIMETHYL SULFOXIDE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.19 Å R-free 0.241 |
| 7INN Crystal structure of A2A in complex with F210 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1COZ N-(4-chlorophenyl)thiourea × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.32 Å R-free 0.234 |
| 7INO Crystal structure of A2A in complex with F223 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO0 N-[2-amino-4-(trifluoromethyl)phenyl]acetamide × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.08 Å R-free 0.228 |
| 7INP Crystal structure of A2A in complex with F235 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 YPN 2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.21 Å R-free 0.242 |
| 7INQ Crystal structure of A2A in complex with F242 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 2O8 4-[(trifluoromethyl)sulfanyl]benzamide × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.19 Å R-free 0.242 |
| 7INR Crystal structure of A2A in complex with F273 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 LR5 4-(trifluoromethyl)benzamide × 1 TEP THEOPHYLLINE × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.13 Å R-free 0.234 |
| 7INT Crystal structure of A2A in complex with F293 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO1 2-(methylsulfanyl)-1H-1,3-benzimidazole × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.25 Å R-free 0.253 |
| 7INU Crystal structure of A2A in complex with F336 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO2 (2S)-2-methyl-6-(trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.46 Å R-free 0.279 |
| 7INV Crystal structure of A2A in complex with F379 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 Y25 5-chloropyridin-3-ol × 1 TEP THEOPHYLLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.57 Å R-free 0.246 |
| 7INW Crystal structure of A2A in complex with F428 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1BL1 N-[4-(trifluoromethyl)phenyl]acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.59 Å R-free 0.244 |
| 7INX Crystal structure of A2A in complex with FU2-57 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO3 (2S)-3-{methyl[5-(trifluoromethyl)pyridin-2-yl]amino}propane-1,2-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.31 Å R-free 0.246 |
| 7INY Crystal structure of A2A in complex with FU2-59 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CS6 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}ethan-1-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.36 Å R-free 0.229 |
| 7INZ Crystal structure of A2A in complex with FU4-40 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO5 4-(4-methoxyphenyl)-2H-1lambda~4~,3-thiazol-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.41 Å R-free 0.239 |
| 7IO0 Crystal structure of A2A in complex with FU4-54 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO6 6-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.05 Å R-free 0.240 |
| 7IO1 Crystal structure of A2A in complex with FU7-1 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO7 6-methoxy-1H-indole-2-carboxylic acid × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.25 Å R-free 0.243 |
| 7IO2 Crystal structure of A2A in complex with FU7-15 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO8 2-(1H-1,3-benzimidazol-2-yl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.96 Å R-free 0.242 |
| 7IO3 Crystal structure of A2A in complex with FU7-29 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CO9 (6-bromo-1H-indol-2-yl)methanol × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.22 Å R-free 0.246 |
| 7IO4 Crystal structure of A2A in complex with FU12-19 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1IGL (4R)-4-phenyl-1,3-oxazolidin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.10 Å R-free 0.244 |
| 7IO5 Crystal structure of A2A in complex with FU12-45 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPA 4-chloro-N-hydroxybenzamide × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.84 Å R-free 0.237 |
| 7IO6 Crystal structure of A2A in complex with FU12-86 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPB 2-phenyl-1H-pyrrolo[2,3-b]pyridine × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.36 Å R-free 0.236 |
| 7IO7 Crystal structure of A2A in complex with FU18-60 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPC 3-(3-hydroxypropyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.23 Å R-free 0.243 |
| 7IO8 Crystal structure of A2A in complex with FU18-82 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPD 2-{[(R)-methanesulfinyl]methyl}-1H-1,3-benzimidazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.27 Å R-free 0.247 |
| 7IO9 Crystal structure of A2A in complex with FU35-2 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPE (2R)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.91 Å R-free 0.256 |
| 7IOA Crystal structure of A2A in complex with FU35-5 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPF N-phenyl-1H-tetrazol-5-amine × 1 PEG DI(HYDROXYETHYL)ETHER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.10 Å R-free 0.236 |
| 7IOB Crystal structure of A2A in complex with FU35-42 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPH N~5~-phenyl-1,2,4-thiadiazole-3,5-diamine × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.11 Å R-free 0.237 |
| 7IOC Crystal structure of A2A in complex with FU18-82 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPI N-phenyl-1,3,4-thiadiazol-2-amine × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.07 Å R-free 0.256 |
| 7IOD Crystal structure of A2A in complex with FU35-78 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPJ (3-anilino-1,2,4-oxadiazol-5-yl)methanol × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.40 Å R-free 0.241 |
| 7IOE Crystal structure of A2A in complex with FU44-18 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPK 4-chloro-N-(2-hydroxyethoxy)benzamide × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.08 Å R-free 0.225 |
| 7IOF Crystal structure of A2A in complex with FU99-31 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPL 5-chloro-2-{[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]sulfanyl}-1H-1,3-benzimidazole × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.90 Å R-free 0.244 |
| 7IOG Crystal structure of A2A in complex with FU99-89 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPM 2-[(5-chloro-1H-1,3-benzimidazol-2-yl)sulfanyl]acetamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.98 Å R-free 0.236 |
| 7IOH Crystal structure of A2A in complex with FU99-91 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPN 4-[(1H-1,3-benzimidazol-2-yl)sulfanyl]butanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.07 Å R-free 0.238 |
| 7IOI Crystal structure of A2A in complex with FU101-88 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPO N-(3-fluoro-4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.04 Å R-free 0.235 |
| 7IOJ Crystal structure of A2A in complex with FU113-13 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPP N-[(furan-2-yl)methyl]thiophene-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.26 Å R-free 0.238 |
| 7IOK Crystal structure of A2A in complex with FU113-99 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPQ 5-fluoro-N-[(1H-pyrazol-3-yl)methyl]thiophene-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.30 Å R-free 0.242 |
| 7IOL Crystal structure of A2A in complex with FU132-3 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPR N-(4-bromophenyl)-1H-imidazole-4-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.81 Å R-free 0.241 |
| 7IOM Crystal structure of A2A in complex with FU18-82 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPS 2-(4-bromophenyl)-1lambda~6~,2-thiazinane-1,1-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.10 Å R-free 0.281 |
| 7ION Crystal structure of A2A in complex with FU132-90 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPT ({2-oxo-2-[4-(trifluoromethyl)anilino]ethyl}sulfanyl)acetic acid × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.14 Å R-free 0.244 |
| 7IOO Crystal structure of A2A in complex with FU132,428-27 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPU 5-bromo-2-carbamamidobenzoic acid × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.01 Å R-free 0.236 |
| 7IOP Crystal structure of A2A in complex with FU163-33 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPV methyl 6-bromo-1H-indole-2-carboxylate × 1 DMS DIMETHYL SULFOXIDE × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.92 Å R-free 0.230 |
| 7IOQ Crystal structure of A2A in complex with FU163-51 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPW N-[2-(1H-imidazol-2-yl)ethyl]-6-(trifluoromethyl)-1H-indole-2-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.26 Å R-free 0.233 |
| 7IOR Crystal structure of A2A in complex with FU163-53 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPX 3-hydroxypropyl 6-(trifluoromethyl)-1H-indole-2-carboxylate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.89 Å R-free 0.233 |
| 7IOS Crystal structure of A2A in complex with FU163-58 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPY 3-[2-(1H-imidazol-4-yl)ethyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.38 Å R-free 0.240 |
| 7IOT Crystal structure of A2A in complex with FU163-67 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CPZ 6-bromo-1H-indole-2-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.31 Å R-free 0.245 |
| 7IOU Crystal structure of A2A in complex with FU163-75 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP0 N-(2-amino-2-oxoethyl)-6-chloro-1H-indole-2-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.17 Å R-free 0.234 |
| 7IOV Crystal structure of A2A in complex with FU163-104 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP1 7-bromo-3-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.30 Å R-free 0.236 |
| 7IOW Crystal structure of A2A in complex with FU163-106 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP2 N-{2-[(furan-2-carbonyl)amino]ethyl}-6-(propan-2-yl)-1H-indole-2-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.17 Å R-free 0.225 |
| 7IOX Crystal structure of A2A in complex with FU163-109 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP3 [(3S)-3-(1H-1,3-benzimidazol-1-yl)pyrrolidin-1-yl](6-methoxy-1H-indol-2-yl)methanone × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.15 Å R-free 0.250 |
| 7IOY Crystal structure of A2A in complex with FU210-12 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP4 N-(4-fluorophenyl)-N'-{2-[3-(pyridin-2-yl)-1H-pyrazol-1-yl]ethyl}urea × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.00 Å R-free 0.244 |
| 7IOZ Crystal structure of A2A in complex with FU223-7 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP5 5-chloro-1,3-benzothiazol-2(3H)-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.88 Å R-free 0.242 |
| 7IP0 Crystal structure of A2A in complex with FU223-43 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP6 methyl (3-methylphenyl)carbamate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.99 Å R-free 0.259 |
| 7IP1 Crystal structure of A2A in complex with FU235-66 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP7 (2S)-3-[(5-chloropyridin-2-yl)sulfanyl]propane-1,2-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.29 Å R-free 0.243 |
| 7IP2 Crystal structure of A2A in complex with FU242-98 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP8 N-[4-(trifluoromethoxy)phenyl]urea × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.13 Å R-free 0.232 |
| 7IP3 Crystal structure of A2A in complex with FU273-23 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CP9 N-[2-(methanesulfonamido)ethyl]-4-(trifluoromethyl)benzamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.11 Å R-free 0.238 |
| 7IP4 Crystal structure of A2A in complex with FU273-77 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQA 3-[(4-bromophenyl)methanesulfonyl]propan-1-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.04 Å R-free 0.222 |
| 7IP5 Crystal structure of A2A in complex with FU293-69 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQB N-(2-hydroxyethyl)-1H-indole-2-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.95 Å R-free 0.239 |
| 7IP6 Crystal structure of A2A in complex with FU293-80 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 6N4 2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.07 Å R-free 0.223 |
| 7IP7 Crystal structure of A2A in complex with FU293-87 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQC 1-(1H-1,3-benzimidazol-2-yl)ethan-1-one × 1 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.32 Å R-free 0.238 |
| 7IP8 Crystal structure of A2A in complex with FU300-24 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQD 3-hydroxy-N-[(1H-pyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.28 Å R-free 0.252 |
| 7IP9 Crystal structure of A2A in complex with FU336-22 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQE N-{[(2S)-3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}glycine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.10 Å R-free 0.238 |
| 7IPA Crystal structure of A2A in complex with FU336-32 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQF 1-{[(2S)-6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}azetidine-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.32 Å R-free 0.250 |
| 7IPB Crystal structure of A2A in complex with FU336-34 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQG (2S)-3-{2-[(2S)-6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamido}-2-hydroxy-2-methylpropanoic acid × 1 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.09 Å R-free 0.250 |
| 7IPC Crystal structure of A2A in complex with FU336-61 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQH 2-[(2S)-6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-[(2S)-2,3-dihydroxypropyl]acetamide × 1 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.87 Å R-free 0.226 |
| 7IPD Crystal structure of A2A in complex with FU379-101 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQI 7-chloroquinolin-2(1H)-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.19 Å R-free 0.240 |
| 7IPE Crystal structure of A2A in complex with FU428-8 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQJ (3R)-3-(4-bromophenyl)-4-[(5S)-2-oxo-2,5-dihydro-1,3-oxazole-5-carbonyl]piperazin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.84 Å R-free 0.245 |
| 7IPF Crystal structure of A2A in complex with FU428-16 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CQK N-(4-ethylphenyl)-2-[(6-methyl-2-oxo-2,5-dihydropyrimidin-4-yl)sulfanyl]acetamide × 1 DMS DIMETHYL SULFOXIDE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 1.90 Å R-free 0.240 |
| 7IPG Crystal structure of A2A in complex with FU428-36 Deposited 2025-08-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A Mutation：A54L,T88A,R107A,K122A,N154A,L202A,L235A,V239A | NA SODIUM ION × 1 TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 A1CS8 (3S)-4-[(2R)-2-hydroxybutanoyl]-3-[4-(trifluoromethyl)phenyl]piperazin-2-one × 1 A1CQL (3R)-4-[(2R)-2-hydroxybutanoyl]-3-[4-(trifluoromethyl)phenyl]piperazin-2-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES PH 5.5, 0.2M K/NA TARTRATE, 27.5-40% PEG400, 0.5-1% (V/V) (+/-)-2-METHYL-2,4-PENTANEDIOL
|
Resolution 2.06 Å R-free 0.249 |
| 7PX4 Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2113 Deposited 2021-10-07 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Mutation：S91K Mutation：S91K | CLR CHOLESTEROL × 3 8E2 Preladenant conjugate PSB-2113 × 1 OLA OLEIC ACID × 26 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 PEG DI(HYDROXYETHYL)ETHER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；24% (v/v) PEG-400 (polyethylene glycol 400, average molecular weight 400), 10-30 mM sodium thiocyanate, 100 mM sodium citrate pH 5.2, and 2% (v/v) 2,5-hexanediol
|
Resolution 2.25 Å R-free 0.240 |
| 7PYR Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2115 Deposited 2021-10-11 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Mutation：S91K Mutation：S91K | CLR CHOLESTEROL × 3 8IM 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]pentyl]ethanamide × 1 OLA OLEIC ACID × 25 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 PEG DI(HYDROXYETHYL)ETHER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；24% (v/v) PEG-400 (polyethylene glycol 400, average molecular weight 400), 10-30 mM sodium thiocyanate, 100 mM sodium citrate pH 5.2, and 2% (v/v) 2,5-hexanediol
|
Resolution 2.60 Å R-free 0.252 |
| 7RM5 MicroED structure of the human adenosine receptor at 2.8A Deposited 2021-07-26 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 4 NA SODIUM ION × 1 |
ELECTRON CRYSTALLOGRAPHY
cryo-EM buffer
pH 5；25-28% (v/v) PEG 400, 0.04-0.06M sodium thiocyanate, 2% (v/v) 2,5-hexanediol, 100mM sodium citrate, pH 5.0, Lipid Cubic Phase (LCP), temperature 293K
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.79 Å R-free 0.288 |
| 7T32 CryoEM structure of the adenosine 2A receptor-BRIL/Anti BRIL Fab complex with ZM241385 Deposited 2021-12-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
8–208（201 aa）
Chain A
219–302（84 aa）
|
Mutation：YES Mutation：YES | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen OTHER
|
Resolution 3.40 Å |
| 8A2O Room-temperature structure of the stabilised A2A-Theophylline complex determined by synchrotron serial crystallography Deposited 2022-06-06 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Mutation：A54L,T88A,R107A,K122A,L202A,L235A,V239A6,S277A,N154A Mutation：A54L,T88A,R107A,K122A,L202A,L235A,V239A6,S277A,N154A | TEP THEOPHYLLINE × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 4.5；293 K；0.1 M tri-sodium citrate pH 4.5, 0.05 M sodium thiocyanate, 29% (v/v) polyethylene glycol 400, 2% (v/v) 2,5-hexanediol
|
Resolution 3.45 Å R-free 0.241 |
| 8A2P Room-temperature structure of the stabilised A2A-LUAA47070 complex determined by synchrotron serial crystallography Deposited 2022-06-06 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Mutation：A54L,T88A,R107A,K122A,L202A,L235A,V239A6,S277A,N154A Mutation：A54L,T88A,R107A,K122A,L202A,L235A,V239A6,S277A,N154A | 9Y2 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 4 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 4.5；293 K；0.1 M tri-sodium citrate pH 4.5, 0.05 M sodium thiocyanate, 29% (v/v) polyethylene glycol 400, 2% (v/v) 2,5-hexanediol
|
Resolution 3.50 Å R-free 0.247 |
| 8C9W Crystal structure of the adenosine A2A receptor (construct A2A-PSB2-bRIL) complexed with Etrumadenant at the orthosteric pocket Deposited 2023-01-23 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Not recorded | U30 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 5 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；293 K；30 % (w/v) PEG400, 7 % (w/v) Tacsimate pH 7.0,100 mM HEPES-Na pH 7.4, 1.8 % (w/v) 2,5-hexandiol, 25 microM Etrumadenant
|
Resolution 2.11 Å R-free 0.267 |
| 8CIC Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with clinical candidate Etrumadenant Deposited 2023-02-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Mutation：A54L,T88A,K122A,V239A,R107A,L202A,L235A Mutation：A54L,T88A,K122A,V239A,R107A,L202A,L235A | NA SODIUM ION × 1 U30 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile × 1 CLR CHOLESTEROL × 4 OLA OLEIC ACID × 15 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；294 K；0.1 M sodium citrate pH 5.0, 50 mM sodium thiocyanate, 3 % (v/v) 2-methyl-2,4-pentanediol (MPD), 21-32 % (w/v) PEG400, and 2 mM theophylline
|
Resolution 2.10 Å R-free 0.214 |
| 8CU6 Crystal structure of A2AAR-StaR2-S277-bRIL in complex with a novel A2a antagonist, LJ-4517 Deposited 2022-05-16 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Mutation：yes Mutation：yes | OLA OLEIC ACID × 16 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 PEG DI(HYDROXYETHYL)ETHER × 1 LJX (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol × 1 CLR CHOLESTEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.1 M HEPES, pH 5.3, 0.05 M sodium thiocyanate, 30% PEG400, 2% 2,2,2-trifluoroethanol
|
Resolution 2.80 Å R-free 0.247 |
| 8CU7 Crystal structure of A2AAR-StaR2-bRIL in complex with a novel A2a antagonist, LJ-4517 Deposited 2022-05-16 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Mutation：S277A Mutation：S277A | PEG DI(HYDROXYETHYL)ETHER × 4 LJX (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol × 1 NA SODIUM ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 OLA OLEIC ACID × 23 CLR CHOLESTEROL × 3 ETF TRIFLUOROETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.1 M HEPES, pH 5.3, 0.05 M sodium thiocyanate, 30% PEG400, 2% 2,2,2-trifluoroethanol
|
Resolution 2.05 Å R-free 0.211 |
| 8DU3 Crystal structure of A2AAR-StaR2-bRIL in complex with compound 21a Deposited 2022-07-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–316（98 aa）
|
Mutation：A79L, T113A, R132A, K147A, N179A, L227A, M240W, H335I, R339L, L356A, V360A, S398A 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 |
| 8FYN MicroED structure of A2A from plasma milled lamellae Deposited 2023-01-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
218–316（99 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 15 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 5 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 NA SODIUM ION × 1 |
ELECTRON CRYSTALLOGRAPHY
cryo-EM buffer
pH 4.7
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.00 Å R-free 0.279 |
| 8GNE Crystal structure of human adenosine A2A receptor in complex with an insurmountable inverse agonist, KW-6356. Deposited 2022-08-23 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Mutation：N154Q,M1007W,H1102I,R1106L Mutation：N154Q,M1007W,H1102I,R1106L | JQR ~{N}-[4-(furan-2-yl)-5-(oxan-4-ylcarbonyl)-1,3-thiazol-2-yl]-6-methyl-pyridine-3-carboxamide × 1 CLR CHOLESTEROL × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 18 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293.15 K；PEG 400, sodium thiocyanate, 2,5-hexanediol, sodium citrate
|
Resolution 2.30 Å R-free 0.235 |
| 8GNG Crystal structure of human adenosine A2A receptor in complex with istradefylline. Deposited 2022-08-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–316（316 aa）
|
Mutation：A54L, T88A, K122A, N154Q, V239A | JQ9 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 CL CHLORIDE ION × 1 K POTASSIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7；293.15 K；PEGMME 500, potassium citrate tribasic, HEPES
|
Resolution 3.20 Å R-free 0.277 |
| 8GNG Crystal structure of human adenosine A2A receptor in complex with istradefylline. Deposited 2022-08-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain X
1–316（316 aa）
|
Mutation：A54L, T88A, K122A, N154Q, V239A | JQ9 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 CL CHLORIDE ION × 1 K POTASSIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7；293.15 K；PEGMME 500, potassium citrate tribasic, HEPES
|
Resolution 3.20 Å R-free 0.277 |
| 8JWY Crystal structure of A2AR-T4L in complex with 2-118 Deposited 2023-06-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
222–316（95 aa）
|
Mutation：C54T,C97A Mutation：C54T,C97A | VBF 3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile × 1 CLR CHOLESTEROL × 1 OLA OLEIC ACID × 18 NA SODIUM ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6.8；291 K；100 mM sodium cacodylate trihydrate pH 6.8, 200 mM sodium tartrate dibasic dihydrate, 30% PEG 400
|
Resolution 2.33 Å R-free 0.245 |
| 8JWZ Crystal structure of A2AR-T4L in complex with AB928 Deposited 2023-06-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
222–316（95 aa）
|
Mutation：C54T,C97A Mutation：C54T,C97A | OLA OLEIC ACID × 18 NA SODIUM ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 U30 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile × 1 PEG DI(HYDROXYETHYL)ETHER × 1 CLR CHOLESTEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6.6；291 K；100 mM sodium cacodylate trihydrate pH 6.6, 120 mM ammonium tartrate dibasic, 32% PEG 40
|
Resolution 2.37 Å R-free 0.240 |
| 8PWN Structure of A2A adenosine receptor A2AR-StaR2-bRIL, solved at wavelength 2.75 A Deposited 2023-07-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–318（100 aa）
|
Not recorded | TEP THEOPHYLLINE × 1 OLA OLEIC ACID × 12 CLR CHOLESTEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.1 M TRI-SODIUM CITRATE PH 5.3-5.4, 0.05 M SODIUM THIOCYANATE, 29-32% PEG400, 2%(V/V) 2,5-HEXANEDIOL
|
Resolution 2.40 Å R-free 0.261 |
| 8RLN Crystal structure of human adenosine A2A receptor (construct A2A-PSB2-bRIL) complexed with the partial antagonist LUF5834 at the orthosteric pocket Deposited 2024-01-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
218–316（99 aa）
|
Not recorded | CLR CHOLESTEROL × 3 OLA OLEIC ACID × 4 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 A1H1S 2-azanyl-4-(4-hydroxyphenyl)-6-(1~{H}-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.2；293 K；23% (w/v) PEG400, 90 mM sodium thiocyanate, 100 mM sodium citrate pH 5.2, and 2% (w/v) 2,5 hexandiol
|
Resolution 2.43 Å R-free 0.281 |
| 8RQQ In meso structure of the adenosine A2a G protein-coupled receptor, A2aR, in 7.10 monoacylglycerol Deposited 2024-01-19 | Different 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
2–208（207 aa）
Chain A
219–316（98 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 CLR CHOLESTEROL × 3 A1H2K 7.10 monoacylglycerol (S-form) × 8 A1H52 7.10 monoacylglycerol (R-form) × 1 GOL GLYCEROL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；30-35.5 %(v/v) PEG400, 50 mM sodium thiocyanate, 100 mM sodium citrate at pH 5, 0.2 %(v/v) 2,5-hexanediol, and 0.025 mM ZM241385
|
Resolution 2.37 Å R-free 0.274 |
| 8RVW Dark structure of the human adenosine A2A receptor bound to synthetic photoswitch "StilSwitch3" determined by serial synchrotron crystallography Deposited 2024-02-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Not recorded | OLA OLEIC ACID × 20 A1H3H 1,3-diethyl-8-[(~{E})-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione × 1 CLR CHOLESTEROL × 3 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.85；293 K；0.1 M sodium potassium phosphate pH 5.85, 27-30% PEG 500 MME, 0.2 M sodium thiocyanate, 0.4 mM StilSwitch3
|
Resolution 2.65 Å R-free 0.233 |
| 8RW0 Crystal structure of the adenosine A2A receptor in complex with Istradefylline Deposited 2024-02-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Not recorded | JQ9 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 23 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；0.1 M Sodium citrate pH 5, 0.05 M Sodium thiocyanate, 3% (v/v)
2-methyl-2,4-pentanediol, 32% (v/v) PEG 400, 1 mM Theophylline
|
Resolution 1.94 Å R-free 0.217 |
| 8RW4 Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'AzoSwitch2 Deposited 2024-02-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Not recorded | A1H3L 8-[(~{E})-(3,4-dimethoxyphenyl)diazenyl]-1,3-diethyl-7~{H}-purine-2,6-dione × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 19 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；0.1 M Sodium citrate pH 5, 0.05 M Sodium thiocyanate, 3% (v/v)
2-methyl-2,4-pentanediol, 32% (v/v) PEG 400, 1 mM Theophylline
|
Resolution 2.20 Å R-free 0.235 |
| 8RW7 Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'StilSwitch1 Deposited 2024-02-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Not recorded | A1H3J 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7~{H}-purine-2,6-dione × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；0.1 M Sodium citrate pH 5, 0.05 M Sodium thiocyanate, 3% (v/v)
2-methyl-2,4-pentanediol, 32% (v/v) PEG 400, 1 mM Theophylline
|
Resolution 2.25 Å R-free 0.214 |
| 8RWC Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'StilSwitch2 Deposited 2024-02-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Not recorded | A1H3I 8-[(~{E})-2-[3,4-bis(oxidanyl)phenyl]ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione × 1 CLR CHOLESTEROL × 4 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 OLA OLEIC ACID × 19 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；0.1 M Sodium citrate pH 5, 0.05 M Sodium thiocyanate, 3% (v/v)
2-methyl-2,4-pentanediol, 32% (v/v) PEG 400, 1 mM Theophylline
|
Resolution 2.31 Å R-free 0.241 |
| 8RWD Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'StilSwitch3 Deposited 2024-02-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Not recorded | A1H3H 1,3-diethyl-8-[(~{E})-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 26 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；0.1 M Sodium citrate pH 5, 0.05 M Sodium thiocyanate, 3% (v/v)
2-methyl-2,4-pentanediol, 32% (v/v) PEG 400, 1 mM Theophylline
|
Resolution 2.05 Å R-free 0.209 |
| 8RWE Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'StilSwitch4 Deposited 2024-02-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Not recorded | A1H3K 1,3-diethyl-8-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 23 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；0.1 M Sodium citrate pH 5, 0.05 M Sodium thiocyanate, 3% (v/v)
2-methyl-2,4-pentanediol, 32% (v/v) PEG 400, 1 mM Theophylline
|
Resolution 2.20 Å R-free 0.227 |
| 8RWH Dark structure of the human adenosine A2A receptor bound to synthetic photoswitch 'StilSwitch2' determined by serial synchrotron crystallography Deposited 2024-02-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Not recorded | A1H3I 8-[(~{E})-2-[3,4-bis(oxidanyl)phenyl]ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 22 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.85；293 K；0.1 M sodium potassium phosphate pH 5.85, 27-30% PEG 500 MME, 0.2 M sodium thiocyanate, 0.4 mM StilSwitch2
|
Resolution 2.45 Å R-free 0.241 |
| 8RWI Steady state structure of the human adenosine A2A receptor bound to synthetic photoswitch 'StilSwitch2' determined by serial synchrotron crystallography Deposited 2024-02-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Not recorded | A1H3I 8-[(~{E})-2-[3,4-bis(oxidanyl)phenyl]ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 17 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.85；293 K；0.1 M sodium potassium phosphate pH 5.85, 27-30% PEG 500 MME, 0.2 M sodium thiocyanate, 0.4 mM StilSwitch2
|
Resolution 2.80 Å R-free 0.317 |
| 8RWX Steady state structure of the human adenosine A2A receptor bound to synthetic photoswitch 'StilSwitch3' determined by serial synchrotron crystallography Deposited 2024-02-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Not recorded | A1H3H 1,3-diethyl-8-[(~{E})-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione × 1 OLA OLEIC ACID × 16 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.85；293 K；0.1 M sodium potassium phosphate pH 5.85, 27-30% PEG 500 MME, 0.2 M sodium thiocyanate, 0.4 mM StilSwitch3
|
Resolution 3.05 Å R-free 0.347 |
| 8UGW Computational design of highly signaling active membrane receptors through de novo solvent-mediated allosteric networks Deposited 2023-10-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–322（321 aa）
Fragment：residues 2-322
|
Not recorded | NGI 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7；295 K；100mM Hepes pH 7 + 27% PEG 300 + 50mM Sodium Potassium Tartrate
|
Resolution 3.90 Å R-free 0.330 |
| 8WDT Crystal structure of the human adenosine A2A receptor in complex with photoresponsive ligand photoNECA(blue) Deposited 2023-09-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
2–316（315 aa）
|
Not recorded | WCH (2S,3S,4R,5R)-5-(6-amino-2-((E)-phenyldiazenyl)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6；293 K；0.1 M Sodium citrate, 0.005-0.03 M Magnesium chloride hexahydrate, 0.15 M Sodium chloride, 27.5-29.0% PEG500DME
|
Resolution 3.34 Å R-free 0.266 |
| 9EE8 Cryo-EM structure of the adenosine A2A receptor intermediate bound to a miniGs heterotrimer Deposited 2024-11-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
2–316（315 aa）
|
Mutation：V229C, R291A | ADN ADENOSINE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.63 Å |
| 9EE9 Cryo-EM structure of the adenosine A2A receptor intermediate bound to a miniGs heterotrimer Deposited 2024-11-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
2–316（315 aa）
|
Mutation：V229C, R291A | ADN ADENOSINE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.16 Å |
| 9EEA Cryo-EM structure of the adenosine A2A receptor intermediate bound to a miniGs heterotrimer Deposited 2024-11-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
2–316（315 aa）
|
Mutation：V229C, R291A | ADN ADENOSINE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.36 Å |
| 9FUP Serial microseconds crystallography at ID29 using fixed-target (small foils): A2a adenosine receptor co-crystallised with Istradefylline Deposited 2024-06-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Not recorded | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 11 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 JQ9 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5；293 K；0.1 M tri-sodium citrate pH 5.0, 50 mM sodium thiocyanate, 29-30% (v/v) PEG 400, 1% (v/v) 1,6-hexanediol
|
Resolution 2.50 Å R-free 0.288 |
| 9H2X Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 7, a novel nanomolar A2A receptor antagonist from modern hit-finding with structure-guided de novo design Deposited 2024-10-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Not recorded | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 21 A1IR1 4-(furan-2-yl)-6-(6-imidazol-1-ylpyridin-2-yl)-1,3,5-triazin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.l M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol and 0.5 mM theophylline.
|
Resolution 1.75 Å R-free 0.226 |
| 9H37 Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 9, a novel nanomolar A2A receptor antagonist from modern hit-finding with structure-guided de novo design Deposited 2024-10-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–208（207 aa）
Chain A
219–317（99 aa）
|
Not recorded | NA SODIUM ION × 1 CLR CHOLESTEROL × 3 OLA OLEIC ACID × 21 A1IR0 2-(furan-2-yl)-7-pyridin-4-yl-pyrrolo[2,3-d]pyrimidin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.1 M tri-sodium citrate pH 5.3-5.4, 0.05 M sodium thiocyanate, 29-32% PEG400, 2% (v/v) 2,5-hexanediol and 0.5 mM theophylline
|
Resolution 1.72 Å R-free 0.220 |
| 9P1S A2AR-BRIL in complex with ZM241385 and PGD2 Deposited 2025-06-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–209（209 aa）
Chain A
221–317（97 aa）
|
Not recorded | LMN Lauryl Maltose Neopentyl Glycol × 1 ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.34 Å |
| 9P1T A2AR-BRIL in complex with ZM241385 Deposited 2025-06-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–209（209 aa）
Chain A
221–317（97 aa）
|
Not recorded | LMN Lauryl Maltose Neopentyl Glycol × 1 ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.15 Å |
| 9T9P Adenosine receptor A2a (A2AR)-beta-lactamase fusion bound to beta-lactamase inhibitory protein II (BLIPII) and ZM241385 Deposited 2025-11-24 | Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
2–214（213 aa）
Chain B
220–316（97 aa）
|
Not recorded | ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
185 other PDB entries and 188 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | AA2AR_HUMAN |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 1–308； UniProt 1–308 Author chain B； PDBConstruct 1–308； UniProt 1–308 |
