Androgen receptor
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 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain A； UniProt 663–920 | Mutation：H875Y,F877L,T878A | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；0.4-0.8 M sodium citrate, 0.1 M Hepes pH 7.5, 20% (v/v) ethylene glycol | Resolution 1.59 Å R-free 0.208 |
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 8FH0 | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1E3G Human Androgen Receptor Ligand Binding in complex with the ligand metribolone (R1881) Deposited 2000-06-14 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
657–919（263 aa）
Fragment：LIGAND-BINDING DOMAIN RESIDUES 447-709
|
Not recorded | R18 (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；RESERVOIR SOLUTION: 0.4M NA2HPO4-2(H2O), 0.4M K2HPO4, 0.1M TRIS-HCL PH 8.5, 0.1M (NH4)2HPO4 AND 5% PEG200. DROPS WERE COMPOSED OF EQUAL VOLUMES OF PROTEIN AND RESERVOIR SOLUTION AND WERE SET UP USING THE SITTING DROP METHOD.
|
Resolution 2.40 Å R-free 0.297 |
| 1GS4 Structural basis for the glucocorticoid response in a mutant human androgen receptor (ARccr) derived from an androgen-independent prostate cancer Deposited 2001-12-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
670–917（248 aa）
Fragment：LIGAND-BINDING DOMAIN, RESIDUES 670-917
|
Mutation：YES | ZK5 9ALPHA-FLUOROCORTISOL × 1 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.2；pH 7.20
|
Resolution 1.95 Å R-free 0.285 |
| 1T5Z Crystal Structure of the Androgen Receptor Ligand Binding Domain (LBD) with DHT and a peptide derived from its physiological coactivator ARA70 Deposited 2004-05-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
669–919（251 aa）
Fragment：AR Ligand Binding Domain 669-918
|
Not recorded | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；Hepes, Na-citrate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.30 Å R-free 0.260 |
| 1T63 Crystal Structure of the Androgen Receptor Ligand Binding Domain with DHT and a peptide derived from its physiological coactivator GRIP1 NR box3 Deposited 2004-05-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
669–919（251 aa）
Fragment：AR ligand binding domain
|
Not recorded | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；hepes, Na-citrate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.07 Å R-free 0.230 |
| 1T65 Crystal structure of the androgen receptor ligand binding domain with DHT and a peptide derived form its physiological coactivator GRIP1 NR box 2 bound in a non-helical conformation Deposited 2004-05-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
669–919（251 aa）
Fragment：AR Ligand Binding Domain 669-919
|
Not recorded | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；hepes, Na-citrate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.66 Å R-free 0.270 |
| 1XJ7 Complex Androgen Receptor LBD and RAC3 peptide Deposited 2004-09-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
663–919（257 aa）
Fragment：ligand binding domain(LBD)
|
Not recorded | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；295 K；Na-Citrate, Hepes, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K
|
Resolution 2.70 Å R-free 0.320 |
| 1XOW Crystal structure of the human androgen receptor ligand binding domain bound with an androgen receptor NH2-terminal peptide, AR20-30, and R1881 Deposited 2004-10-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
671–919（249 aa）
Fragment：ligand binding domain
Chain B
20–30（11 aa）
Fragment：N-terminal FXXLF domain
|
Not recorded | R18 (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100mM BTP, 0.6-1.2M Li2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.80 Å R-free 0.213 |
| 1XQ3 Crystal structure of the human androgen receptor ligand binding domain bound with R1881 Deposited 2004-10-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
671–919（249 aa）
Fragment：ligand binding domain
|
Not recorded | R18 (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100mM BTP, 0.6-1.2M LiSO4, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.25 Å R-free 0.242 |
| 1Z95 Crystal Structure of the Androgen Receptor Ligand-binding Domain W741L Mutant Complex with R-bicalutamide Deposited 2005-03-31 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
671–916（246 aa）
Fragment：LIGAND BINDING DOMAIN
|
Mutation：W741L | SO4 SULFATE ION × 1 198 R-BICALUTAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M Hepes, 0.75 M lithium sulfate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
|
Resolution 1.80 Å R-free 0.256 |
| 2AM9 Crystal structure of human androgen receptor ligand binding domain in complex with testosterone Deposited 2005-08-09 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
654–919（266 aa）
Fragment：ligand binding domain
|
Not recorded | SO4 SULFATE ION × 1 TES TESTOSTERONE × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.6；293 K；Bicine, Na/K tartrate, MgSO4, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.64 Å R-free 0.230 |
| 2AMA Crystal structure of human androgen receptor ligand binding domain in complex with dihydrotestosterone Deposited 2005-08-09 | Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
654–919（266 aa）
Fragment：ligand binding domain
|
Not recorded | SO4 SULFATE ION × 1 DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.3；293 K；MgSO4, Pipes, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.90 Å R-free 0.241 |
| 2AMB Crystal structure of human androgen receptor ligand binding domain in complex with tetrahydrogestrinone Deposited 2005-08-09 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
654–919（266 aa）
Fragment：ligand binding domain
|
Not recorded | SO4 SULFATE ION × 1 17H 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；Na/K tartrate. MgSO4, Hepes, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.75 Å R-free 0.209 |
| 2AO6 Crystal structure of the human androgen receptor ligand binding domain bound with TIF2(iii) 740-753 peptide and R1881 Deposited 2005-08-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
671–919（249 aa）
Fragment：LIGAND BINDING DOMAIN
|
Not recorded | R18 (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.9；293 K；100mM BTP, 0.6 M Na/K Tartrate, pH 7.90, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.89 Å R-free 0.242 |
| 2AX6 Crystal Structure Of The Androgen Receptor Ligand Binding Domain T877A Mutant In Complex With Hydroxyflutamide Deposited 2005-09-03 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
663–918（256 aa）
Fragment：Ligand Binding Domain (residues 663-918)
|
Mutation：T877A | HFT HYDROXYFLUTAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.5 M Sodium Citrate, 0.1 M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.50 Å R-free 0.274 |
| 2AX7 Crystal Structure Of The Androgen Receptor Ligand Binding Domain T877A Mutant In Complex With S-1 Deposited 2005-09-03 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
663–918（256 aa）
Fragment：Ligand Binding Domain (residues 663-918)
|
Mutation：T877A | FHM S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.5 M Sodium Citrate, 0.1 M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.90 Å R-free 0.247 |
| 2AX8 Crystal Structure Of The Androgen Receptor Ligand Binding Domain W741L Mutant In Complex With S-1 Deposited 2005-09-03 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
663–918（256 aa）
Fragment：Ligand Binding Domain (residues 663-918)
|
Mutation：W741L | FHM S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.5 M Sodium Citrate, 0.1 M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.70 Å R-free 0.248 |
| 2AX9 Crystal Structure Of The Androgen Receptor Ligand Binding Domain In Complex With R-3 Deposited 2005-09-03 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
663–918（256 aa）
Fragment：Ligand Binding Domain (residues 663-918)
|
Not recorded | BHM (R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.5 M Sodium Citrate, 0.1 M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.65 Å R-free 0.249 |
| 2AXA Crystal Structure Of The Androgen Receptor Ligand Binding Domain In Complex With S-1 Deposited 2005-09-03 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
663–918（256 aa）
Fragment：Ligand Binding Domain (residues 663-918)
|
Not recorded | FHM S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.5 M Sodium Citrate, 0.1 M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.80 Å R-free 0.250 |
| 2HVC The Crystal Structure of Ligand-binding Domain (LBD) of human Androgen Receptor in Complex with a selective modulator LGD2226 Deposited 2006-07-28 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
669–918（250 aa）
Fragment：ligind-binding domain(residues 669-918)
|
Not recorded | LGD 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.2；289 K；mixing the protein solution(5mg/ml) with equal volume of the reservoir solution with 0.4M Na2HPO4, 0.4M K2HPO4, as the primary precipitators. pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 289K
|
Resolution 2.10 Å R-free 0.253 |
| 2OZ7 Crystal structure of the human androgen receptor T877A mutant ligand-binding domain with cyproterone acetate Deposited 2007-02-25 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
671–919（249 aa）
Fragment：residues 671-919
|
Mutation：T877A | CA4 CYPROTERONE ACETATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.6 M sodium citrate, 0.1 M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.80 Å R-free 0.270 |
| 2PIO Androgen receptor LBD with small molecule Deposited 2007-04-13 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
669–919（251 aa）
Fragment：Ligand-binding domain (residues 669-919)
|
Not recorded | SO4 SULFATE ION × 1 DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 2MI 2-METHYL-1H-INDOLE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.03 Å R-free 0.287 |
| 2PIP Androgen receptor LBD with small molecule Deposited 2007-04-13 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain L
669–919（251 aa）
Fragment：Ligand-binding domain (residues 669-919)
|
Not recorded | SO4 SULFATE ION × 3 DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 ICO 1H-INDOLE-3-CARBOXYLIC ACID × 1 K10 1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.80 Å R-free 0.250 |
| 2PIQ androgen receptor LBD with small molecule Deposited 2007-04-13 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
669–919（251 aa）
Fragment：Ligand-binding domain (residues 669-919)
|
Not recorded | SO4 SULFATE ION × 1 DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 RB1 3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)METHYL]PHENOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.40 Å R-free 0.250 |
| 2PIR Androgen receptor LBD with small molecule Deposited 2007-04-13 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
669–919（251 aa）
Fragment：Ligand-binding domain (residues 669-919)
|
Not recorded | SO4 SULFATE ION × 1 DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 NK SALICYLALDEHYDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.10 Å R-free 0.260 |
| 2PIT Androgen receptor LBD with small molecule Deposited 2007-04-13 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
669–919（251 aa）
Fragment：Ligand-binding domain (residues 669-919)
|
Not recorded | SO4 SULFATE ION × 1 DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.76 Å R-free 0.250 |
| 2PIU Androgen receptor LBD with small molecule Deposited 2007-04-13 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
669–919（251 aa）
Fragment：Ligand-binding domain (residues 669-919)
|
Not recorded | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.12 Å R-free 0.270 |
| 2PIV Androgen receptor with small molecule Deposited 2007-04-13 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
669–919（251 aa）
Fragment：Ligand-binding domain (residues 669-919)
|
Not recorded | SO4 SULFATE ION × 1 DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 T3 3,5,3'TRIIODOTHYRONINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.95 Å R-free 0.250 |
| 2PIW Androgen receptor with small molecule Deposited 2007-04-13 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
669–919（251 aa）
Fragment：Ligand-binding domain (residues 669-919)
|
Not recorded | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 T3 3,5,3'TRIIODOTHYRONINE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.58 Å R-free 0.280 |
| 2PIX AR LBD with small molecule Deposited 2007-04-13 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
669–919（251 aa）
Fragment：Ligand-binding domain (residues 669-919)
|
Not recorded | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 FLF 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.40 Å R-free 0.280 |
| 2PKL Androgen receptor LBD with small molecule Deposited 2007-04-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
669–919（251 aa）
Fragment：Ligand-binding domain (residues 669-919)
|
Not recorded | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.49 Å R-free 0.260 |
| 2PNU Crystal structure of human androgen receptor ligand-binding domain in complex with EM-5744 Deposited 2007-04-25 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
654–919（266 aa）
Fragment：ligand binding domain
|
Not recorded | SO4 SULFATE ION × 1 ENM (5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；0.1M MES pH 6, 0.8M Na/K tartrate, 0.45M MgSO4, 0.4M NDSB195, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.65 Å R-free 0.205 |
| 2Q7I The Wild Type Androgen Receptor Ligand Binding Domain Bound with Testosterone and an AR 20-30 Peptide Deposited 2007-06-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
663–919（257 aa）
Chain B
20–30（11 aa）
|
Not recorded | SO4 SULFATE ION × 2 TES TESTOSTERONE × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.87 Å R-free 0.217 |
| 2Q7J The Wild Type Androgen Receptor Ligand Binding Domain Bound with Testosterone and a TIF2 box 3 Coactivator Peptide 740-753 Deposited 2007-06-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
663–919（257 aa）
|
Not recorded | SO4 SULFATE ION × 1 TES TESTOSTERONE × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å R-free 0.220 |
| 2Q7K The Androgen Receptor Prostate Cancer Mutant H874Y Ligand Binding Domain Bound with Testosterone and an AR 20-30 Peptide Deposited 2007-06-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
663–919（257 aa）
Chain B
20–30（11 aa）
|
Mutation：H874Y | SO4 SULFATE ION × 2 TES TESTOSTERONE × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.80 Å R-free 0.209 |
| 2Q7L The Androgen Receptor Prostate Cancer Mutant H874Y Ligand Binding Domain Bound with Testosterone and a TIF2 box3 Coactivator Peptide 740-753 Deposited 2007-06-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
663–919（257 aa）
|
Mutation：H874Y | TES TESTOSTERONE × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.92 Å R-free 0.221 |
| 2YHD Human androgen receptor in complex with AF2 small molecule inhibitor Deposited 2011-04-28 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
671–919（249 aa）
Fragment：LIGAND BINDING DOMAIN, RESIDUES 671-919
|
Not recorded | SO4 SULFATE ION × 1 TES TESTOSTERONE × 1 AV6 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；0.35 M NA2HPO4/K2HPO4, 0.1 M (NH4)2HPO4, 7.0% PEG 400, 50 MM TRIS-HCL, PH 7.5.
|
Resolution 2.20 Å R-free 0.259 |
| 2YLO TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING Deposited 2011-06-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
664–919（256 aa）
Fragment：LIGAND-BINDING DOMAIN, RESIDUES 664-919
|
Not recorded | TES TESTOSTERONE × 1 SO4 SULFATE ION × 1 YLO 1-[2-(4-METHYLPHENOXY)ETHYL]-2-(2-PHENOXYETHYLSULFANYL)BENZIMIDAZOLE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 2.50 Å R-free 0.289 |
| 2YLP TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING Deposited 2011-06-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
664–919（256 aa）
Fragment：LIGAND-BINDING DOMAIN, RESIDUES 664-919
|
Not recorded | SO4 SULFATE ION × 1 TES TESTOSTERONE × 1 056 3-[(2,4-DICHLOROPHENYL)METHYLSULFANYLMETHYL]BENZOIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 2.30 Å R-free 0.249 |
| 2YLQ TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING Deposited 2011-06-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
664–919（256 aa）
Fragment：LIGAND-BINDING DOMAIN, RESIDUES 664-919
|
Not recorded | SO4 SULFATE ION × 1 TES TESTOSTERONE × 1 YLQ 3-[1-[2-(4-METHYLPHENOXY)ETHYL]BENZIMIDAZOL-2-YL]SULFANYLPROPANOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 2.40 Å R-free 0.272 |
| 2Z4J Crystal structure of AR LBD with SHP peptide NR Box 2 Deposited 2007-06-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
671–918（248 aa）
Fragment：C-terminal domain
|
Not recorded | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1M Bis-Tris Propane, 1.2M Potassium Sodium Tartrate tetrahydrate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K
|
Resolution 2.60 Å R-free 0.234 |
| 3B5R Crystal structure of the androgen receptor ligand binding domain in complex with SARM C-31 Deposited 2007-10-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
671–919（249 aa）
Fragment：residues 671-919
|
Not recorded | B5R (2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.80 Å R-free 0.272 |
| 3B65 Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-24 Deposited 2007-10-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
671–919（249 aa）
Fragment：residues 671-919
|
Not recorded | 3B6 (2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.5 M Sodium Citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.80 Å R-free 0.292 |
| 3B66 Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-21 Deposited 2007-10-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
671–919（249 aa）
Fragment：residues 671-919
|
Not recorded | B66 4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.5 M Sodium Citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.65 Å R-free 0.242 |
| 3B67 Crystal structure of the androgen receptor ligand binding domain in complex with SARM C-23 Deposited 2007-10-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
671–919（249 aa）
Fragment：residues 671-919
|
Not recorded | B67 (2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.5 M Sodium Citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.90 Å R-free 0.273 |
| 3B68 Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-4 Deposited 2007-10-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
671–919（249 aa）
Fragment：RESIDUES 671-919
|
Not recorded | B68 (2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.5 M Sodium Citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.90 Å R-free 0.274 |
| 3BTR AR-NLS:Importin-alpha complex Deposited 2007-12-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
621–635（15 aa）
Fragment：UNP residues 621-635
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.60 Å R-free 0.229 |
| 3L3X Crystal structure of DHT-bound androgen receptor in complex with the first motif of steroid receptor coactivator 3 Deposited 2009-12-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
670–918（249 aa）
|
Not recorded | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG 3350, pH 7.5, vapor diffusion, hanging drop, temperature 293K
|
Resolution 1.55 Å R-free 0.206 |
| 3L3Z Crystal structure of DHT-bound androgen receptor in complex with the third motif of steroid receptor coactivator 3 Deposited 2009-12-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
670–918（249 aa）
Fragment：ligand binding domain
|
Not recorded | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG 3350, pH 7.5, vapor diffusion, hanging drop, temperature 293K
|
Resolution 2.00 Å R-free 0.243 |
| 3RLJ Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-22 Deposited 2011-04-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
671–917（247 aa）
Fragment：Ligand-binding domain residues 671-917
|
Not recorded | RLJ (2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.5 M Sodium Citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.90 Å R-free 0.265 |
| 3RLL Crystal structure of the T877A androgen receptor ligand binding domain in complex with (S)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-(4-cyanonaphthalen-1-yloxy)-2-hydroxy-2-methylpropanamide Deposited 2011-04-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
671–917（247 aa）
Fragment：Ligand binding domain residues 671-917
|
Mutation：T877A | RLL (2S)-3-[(4-cyanonaphthalen-1-yl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.5 M Sodium Citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.70 Å R-free 0.263 |
| 3V49 Structure of ar lbd with activator peptide and sarm inhibitor 1 Deposited 2011-12-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
654–919（266 aa）
Fragment：unp residues 654-919
Chain B
21–31（11 aa）
Fragment：unp residues 21-31
|
Not recorded | PK0 4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；291 K；Hanging drop set up as a 50:50 mixture of 1 microL protein+1 microL reservoir with: A) protein solution = 80 microL hAR LBD (3.5 mg/ml) + 1.5 microL activator undecapeptide (GAFQNLFQSVR)+1 microL LiSO4 (0.2 M) in HEPES buffer 0.1 M + 0.5 mg inhibitor 1 (PK0)
B) Reservoir = 1 ml HEPES buffer 0.1 M + PEG 4000 12-20 %, pH 7.5, VAPOR DIFFUSION, temperature 291K
|
Resolution 1.70 Å |
| 3V4A Structure of ar lbd with activator peptide and sarm inhibitor 2 Deposited 2011-12-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
671–919（249 aa）
Fragment：unp residues 671-919
Chain B
21–31（11 aa）
Fragment：unp residues 21-31
|
Not recorded | PK1 (5R)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.5；291 K；Hanging drop set up as a 50:50 mixture of 1 uL protein, 1 uL reservoir with: A) protein solution = 80 uL hAR LBD (3.5 mg/ml), 1.5 uL undecapeptide, 1 uL LiSO4 (0.2 M) in HEPES buffer 0.1 M, 0.5 mg inhibitor 2 (PK1)
Reservoir 1 ml HEPES buffer 0.1 M, PEG 4000 12-20 %, pH 7.5, VAPOR DIFFUSION, temperature 291K
|
Resolution 1.95 Å |
| 3ZQT TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING Deposited 2011-06-10 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
664–919（256 aa）
Fragment：LIGAND BINDING DOMAIN, RESIDUES 664-919
|
Not recorded | TES TESTOSTERONE × 1 SO4 SULFATE ION × 1 30Z 4-[(2R,3S)-3-[(3,4-DIHYDROXYPHENYL)METHYL]-2-METHYLBUTYL]BENZENE-1,2-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.5
|
Resolution 2.29 Å R-free 0.307 |
| 4HLW Targeting the Binding Function 3 (BF3) Site of the Human Androgen Receptor Through Virtual Screening. 2. Development of 2-((2-phenoxyethyl) thio)-1H-benzoimidazole derivatives. Deposited 2012-10-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
664–919（256 aa）
Fragment：UNP residues 664-919
|
Not recorded | TES TESTOSTERONE × 1 17W 2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazole × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；294 K；0.35MNa2HPO4/K2HPO4, 0.1M (NH4)2HPO4, 7.0% polyethylene glycol 400 (PEG 400), and 50mM Tris-HCl at pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K
|
Resolution 2.50 Å R-free 0.239 |
| 4K7A Crystal structure of the androgen receptor ligand binding domain in complex with minoxidil Deposited 2013-04-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
670–918（249 aa）
Fragment：ligand binding domain, UNP residues 670-918
|
Not recorded | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 MXD 6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.44 Å R-free 0.268 |
| 4OEA Crystal structure of AR-LBD Deposited 2014-01-12 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
670–919（250 aa）
Fragment：ligand binding domain
|
Mutation：R760A | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.6M magnesium sulphate,
0.1M MES
, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.12 Å R-free 0.265 |
| 4OED Crystal structure of AR-LBD bound with co-regulator peptide Deposited 2014-01-13 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
670–919（250 aa）
Fragment：ligand binding domain
|
Mutation：R760A | SO4 SULFATE ION × 1 DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.6M magnesium sulphate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.79 Å R-free 0.299 |
| 4OEY Crystal structure of AR-LBD bound with co-regulator peptide Deposited 2014-01-14 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
670–919（250 aa）
Fragment：ligand binding domain
|
Mutation：R760A | SO4 SULFATE ION × 1 DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.6M magnesium sulphate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.83 Å R-free 0.249 |
| 4OEZ Crystal structure of AR-LBD bound with co-regulator peptide Deposited 2014-01-14 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
670–919（250 aa）
Fragment：ligand binding domain
|
Mutation：R760A | SO4 SULFATE ION × 1 DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.6 M MAGNESIUM SULFATE HEPTAHYDRATE IN 0.1 MM MES BUFFER, PH 6.5 , VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K
|
Resolution 1.80 Å R-free 0.258 |
| 4OFR Crystal structure of AR-LBD bound with co-regulator peptide Deposited 2014-01-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
670–919（250 aa）
Fragment：ligand binding domain
|
Mutation：R760A | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.6M magnesium sulphate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.26 Å R-free 0.251 |
| 4OFU Crystal structure of AR-LBD bound with co-regulator peptide Deposited 2014-01-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
670–919（250 aa）
Fragment：ligand binding domain
|
Mutation：R760A | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.6M magnesium sulphate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.12 Å R-free 0.267 |
| 4OGH Crystal structure of T877A-AR-LBD Deposited 2014-01-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
670–919（250 aa）
Fragment：ligand binding domain
|
Mutation：R760A, T877A | HFT HYDROXYFLUTAMIDE × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.6M magnesium sulphate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.98 Å R-free 0.240 |
| 4OH5 Crystal structure of T877A-AR-LBD bound with co-regulator peptide Deposited 2014-01-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
670–919（250 aa）
Fragment：ligand binding domain
|
Mutation：R760A, T877A | HFT HYDROXYFLUTAMIDE × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.6M magnesium sulphate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.257 |
| 4OH6 Crystal structure of T877A-AR-LBD bound with co-regulator peptide Deposited 2014-01-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
670–919（250 aa）
Fragment：ligand binding domain
|
Mutation：R760A, T877A | HFT HYDROXYFLUTAMIDE × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.6M magnesium sulphate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 3.56 Å R-free 0.261 |
| 4OHA Crystal structure of T877A-AR-LBD bound with co-regulator peptide Deposited 2014-01-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
670–919（250 aa）
Fragment：ligand binding doamin
|
Mutation：R760A, T877A | HFT HYDROXYFLUTAMIDE × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.6M magnesium sulphate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.42 Å R-free 0.200 |
| 4OIL Crystal structure of T877A-AR-LBD bound with co-regulator peptide Deposited 2014-01-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
670–919（250 aa）
Fragment：ligand binding doamin
|
Mutation：R760A, T877A | HFT HYDROXYFLUTAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.6M magnesium sulphate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.51 Å R-free 0.285 |
| 4OIU Crystal structure of T877A-AR-LBD bound with co-regulator peptide Deposited 2014-01-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
670–919（250 aa）
Fragment：ligand binding doamin
|
Mutation：R760A, T877A | HFT HYDROXYFLUTAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.6M magnesium sulphate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 3.01 Å R-free 0.338 |
| 4OJ9 Crystal structure of T877A-AR-LBD bound with co-regulator peptide Deposited 2014-01-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
670–919（250 aa）
Fragment：ligand binding doamin
|
Mutation：R760A, T877A | HFT HYDROXYFLUTAMIDE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.6M magnesium sulphate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 3.31 Å R-free 0.362 |
| 4OJB Crystal structure of W741L-AR-LBD Deposited 2014-01-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
670–919（250 aa）
Fragment：ligand binding doamin
|
Mutation：W741L, R760A | 198 R-BICALUTAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.6M magnesium sulphate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.247 |
| 4OK1 Crystal structure of W741L-AR-LBD bound with co-regulator peptide Deposited 2014-01-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
670–919（250 aa）
Fragment：ligand binding doamin
|
Mutation：W741L, R760A | 198 R-BICALUTAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.6M magnesium sulphate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.09 Å R-free 0.249 |
| 4OKB Crystal structure of W741L-AR-LBD bound with co-regulator peptide Deposited 2014-01-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
670–919（250 aa）
Fragment：ligand binding doamin
|
Mutation：W741L, R760A | SO4 SULFATE ION × 1 198 R-BICALUTAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.6M magnesium sulphate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.95 Å R-free 0.260 |
| 4OKT Crystal structure of W741L-AR-LBD bound with co-regulator peptide Deposited 2014-01-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
670–919（250 aa）
Fragment：ligand binding doamin
|
Mutation：W741L, R760A | 198 R-BICALUTAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.6M magnesium sulphate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.50 Å R-free 0.256 |
| 4OKW Crystal structure of W741L-AR-LBD bound with co-regulator peptide Deposited 2014-01-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
670–919（250 aa）
Fragment：ligand binding doamin
|
Mutation：W741L, R760A | 198 R-BICALUTAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.6M magnesium sulphate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.225 |
| 4OKX Crystal structure of W741L-AR-LBD bound with co-regulator peptide Deposited 2014-01-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
670–919（250 aa）
Fragment：ligand binding doamin
|
Mutation：W741L, R760A | SO4 SULFATE ION × 1 198 R-BICALUTAMIDE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.10 Å R-free 0.248 |
| 4OLM Crystal structure of W741L-AR-LBD bound with co-regulator peptide Deposited 2014-01-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
670–919（250 aa）
Fragment：ligand binding doamin
|
Mutation：W741L, R760A | 198 R-BICALUTAMIDE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.80 Å R-free 0.313 |
| 4QL8 Crystal structure of Androgen Receptor in complex with the ligand Deposited 2014-06-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
662–919（258 aa）
Fragment：Androgen receptor ligand binding domain, UNP residues 662-919
|
Not recorded | JAD 2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1M HEPES pH (6.5-8.5), 1.5M MgSO4 , VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.10 Å R-free 0.275 |
| 5CJ6 Crystal Structure of a Selective Androgen Receptor Modulator Bound to the Ligand Binding Domain of the Human Androgen Receptor Deposited 2015-07-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
641–919（279 aa）
Fragment：Ligand Binding Domain (UNP residues 641-919)
|
Not recorded | 51Y 2-chloro-4-{[(1R,2R)-2-hydroxy-2-methylcyclopentyl]amino}-3-methylbenzonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；15% PEG 3350, 100mM Magnesium Formate dihydrate
|
Resolution 2.07 Å R-free 0.222 |
| 5JJM Crystal Structure of Homodimeric Androgen Receptor Ligand-Binding Domain bound to DHT and LxxLL peptide Deposited 2016-04-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
669–920（252 aa）
|
Not recorded | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 2 ZN ZINC ION × 2 CL CHLORIDE ION × 2 EDO 1,2-ETHANEDIOL × 2 GOL GLYCEROL × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.1 M HEPES
1.35 M ammonium sulfate
|
Resolution 2.15 Å R-free 0.243 |
| 5JJM Crystal Structure of Homodimeric Androgen Receptor Ligand-Binding Domain bound to DHT and LxxLL peptide Deposited 2016-04-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain B
669–920（252 aa）
Chain C
669–920（252 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 2 ZN ZINC ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 4 GOL GLYCEROL × 1 SO4 SULFATE ION × 3 PGE TRIETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.1 M HEPES
1.35 M ammonium sulfate
|
Resolution 2.15 Å R-free 0.243 |
| 5JJM Crystal Structure of Homodimeric Androgen Receptor Ligand-Binding Domain bound to DHT and LxxLL peptide Deposited 2016-04-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain D
669–920（252 aa）
|
Not recorded | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 2 ZN ZINC ION × 2 CL CHLORIDE ION × 2 EDO 1,2-ETHANEDIOL × 6 SO4 SULFATE ION × 2 ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.1 M HEPES
1.35 M ammonium sulfate
|
Resolution 2.15 Å R-free 0.243 |
| 5T8E Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives Deposited 2016-09-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
140–388（249 aa）
Fragment：UNP residues 132-388
|
Not recorded | GOL GLYCEROL × 2 77U 2-chloro-4-[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-3-methylbenzonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；Protein Storage Buffer: 25mM HEPES pH 7.2, 150mM LiSO4, 10mM DTT, 10% Glycerol, 0.1% bOG, 100uM inhibitor
Crystallization Buffer: ~1M ammonium phosphate dibasic
|
Resolution 2.71 Å R-free 0.238 |
| 5T8J Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives Deposited 2016-09-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
140–388（249 aa）
Fragment：UNP residues 132-388
|
Not recorded | GOL GLYCEROL × 1 77T 2-fluoro-4-[(2S,3S)-3-hydroxy-2,3-dimethylpyrrolidin-1-yl]-3-methylbenzonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；~1M ammonium phosphate dibasic
|
Resolution 2.70 Å R-free 0.305 |
| 5V8Q Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs): Part III Deposited 2017-03-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
140–388（249 aa）
Fragment：UNP residues 140-388
|
Not recorded | GOL GLYCEROL × 3 97A 4-[(2S,3S)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.1；293 K；1.08M Phosphate NH4 Dibasic
0.07M Phosphate K Dibasic
0.03M Phosphate Na Monobasic
pH 7.1
|
Resolution 1.44 Å R-free 0.205 |
| 5VO4 Crystal Structure Of The Androgen Receptor Ligand Binding Domain In Complex With 5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1H-pyrrole-2-carbonitrile Deposited 2017-05-02 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
671–920（250 aa）
Fragment：UNP residues 671-920
|
Not recorded | 9FG 5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1H-pyrrole-2-carbonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；300 K；30% PEG400, HEPES pH 7, 200mM Ca Cl
|
Resolution 2.35 Å R-free 0.282 |
| 7ZTX Crystal structure of mutant AR-LBD (F755V) bound to dihydrotestosterone Deposited 2022-05-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
672–920（249 aa）
|
Not recorded | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 SO4 SULFATE ION × 2 IMD IMIDAZOLE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；ammonium sulfate
HEPES
urea
|
Resolution 1.89 Å R-free 0.251 |
| 7ZTZ Crystal structure of mutant AR-LBD (Y764C) bound to dihydrotestosterone Deposited 2022-05-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
672–920（249 aa）
|
Not recorded | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 IMD IMIDAZOLE × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；sodium citrate
HEPES
|
Resolution 1.40 Å R-free 0.220 |
| 7ZU1 Crystal structure of mutant AR-LBD (V758A) bound to dihydrotestosterone Deposited 2022-05-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
672–920（249 aa）
|
Not recorded | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 IMD IMIDAZOLE × 1 LI LITHIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；ammonium acetate
ammonium sulfate
HEPES
|
Resolution 1.68 Å R-free 0.255 |
| 7ZU2 Crystal structure of mutant AR-LBD (Q799E) bound to dihydrotestosterone Deposited 2022-05-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
672–920（249 aa）
|
Not recorded | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 IMD IMIDAZOLE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；ammonium acetate
tris
sodium formate
spermidine
|
Resolution 1.74 Å R-free 0.219 |
| 8E1A Structure-based study to overcome cross-reactivity of novel androgen receptor inhibitors Deposited 2022-08-10 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
665–920（256 aa）
Fragment：Ligand-binding domain residues 664-919
|
Not recorded | 3E0 4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine × 1 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；295.15 K；0.1M Hepes, 0.4-1M Sodium citrate
|
Resolution 1.20 Å R-free 0.151 |
| 8FGY Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y/F877L/T878A with DHT Deposited 2022-12-13 | Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
663–920（258 aa）
|
Mutation：L702H, H875Y, F877L, T878A | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.4-0.8 M sodium citrate, 0.1 M Hepes pH 7.5, 20% (v/v) ethylene glycol
|
Resolution 2.20 Å R-free 0.246 |
| 8FGZ Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y/F877L with DHT Deposited 2022-12-13 | Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
663–920（258 aa）
|
Mutation：L702H,H875Y,F877L | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.4-0.8 M sodium citrate, 0.1 M Hepes pH 7.5, 20% (v/v) ethylene glycol
|
Resolution 1.61 Å R-free 0.220 |
| 8FH1 Crystal structure of mutant Androgen Receptor ligand binding domain F877L/T878A with DHT Deposited 2022-12-13 | Different mutation/modification Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
663–920（258 aa）
|
Mutation：F877L,T878A | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.4-0.8 M sodium citrate, 0.1 M Hepes pH 7.5, 20% (v/v) ethylene glycol
|
Resolution 1.69 Å R-free 0.229 |
| 8FH2 Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y with DHT Deposited 2022-12-13 | Different mutation/modification Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
663–920（258 aa）
|
Mutation：L702H,H875Y | DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.4-0.8 M sodium citrate, 0.1 M Hepes pH 7.5, 20% (v/v) ethylene glycol
|
Resolution 1.59 Å R-free 0.221 |
| 8RM6 Crystal Structure of Human Androgen Receptor DNA Binding Domain Bound to its Response Element: C3(1)ARE Deposited 2024-01-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
25–97（73 aa）
Chain B
25–97（73 aa）
|
Not recorded | ZN ZINC ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293.15 K；0.1M sodium hepes pH7.5,15% (w/v) peg 20000
|
Resolution 2.05 Å R-free 0.247 |
| 8RM7 Crystal Structure of Human Androgen Receptor DNA Binding Domain Bound to its Response Element: MMTV-177 GRE/ARE Deposited 2024-01-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
25–97（73 aa）
Chain B
25–97（73 aa）
|
Not recorded | ZN ZINC ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277.15 K；0.2 M sodium citrate and 20 %(w/v) PEG 3350
|
Resolution 2.25 Å R-free 0.310 |
| 9GZD Androgen Receptor ligand-binding domain in complex with 11-ketodihydrotestosterone Deposited 2024-10-03 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
672–920（249 aa）
|
Not recorded | A1IQ9 11-ketodihydrotestosterone × 1 SPD SPERMIDINE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 2 IMD IMIDAZOLE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M HEPES pH 7.8, 0.7 M sodium citrate, 15 mM spermidine
|
Resolution 1.91 Å R-free 0.258 |
94 other PDB entries and 96 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | ANDR_HUMAN |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 1–258； UniProt 663–920 |
