Nuclear receptor coactivator 2
OrganismNot specified
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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain C； UniProt 741–752 | Fragment：nuclear receptor box 3, UNP residues 741-752 | Ancestral Glucocorticoid Receptor 2 × 1 GOL GLYCEROL × 1 MOF MOMETASONE FUROATE × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；1.5-3 M ammonium formate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K | Resolution 2.50 Å R-free 0.255 |
| 2 | Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain E； UniProt 741–752 | Fragment：nuclear receptor box 3, UNP residues 741-752 | Ancestral Glucocorticoid Receptor 2 × 1 GOL GLYCEROL × 1 MOF MOMETASONE FUROATE × 1 FMT FORMIC ACID × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；1.5-3 M ammonium formate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K | Resolution 2.50 Å R-free 0.255 |
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 4E2J | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1GWQ HUMAN OESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH RALOXIFENE CORE AND TIF2 NRBOX2 PEPTIDE Deposited 2002-03-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
688–696（9 aa）
Fragment：NUCLEAR RECEPTOR BOX II, RESIDUES 688-696
Chain D
688–696（9 aa）
Fragment：NUCLEAR RECEPTOR BOX II, RESIDUES 688-696
|
Not recorded | ZTW RALOXIFENE CORE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；6-11% (W/V) PEG 1500, 4% (V/V) DMF, pH 8.50
|
Resolution 2.45 Å R-free 0.269 |
| 1GWR HUMAN OESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH 17BETA-OESTRADIOL AND TIF2 NRBOX3 PEPTIDE Deposited 2002-03-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
742–750（9 aa）
Fragment：NUCLEAR RECEPTOR BOX III RESIDUES 742-750
|
Not recorded | EST ESTRADIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；2-2.5% (W/V) PEG 20000 0.1M HEPES PH7.8, pH 7.80
|
Resolution 2.40 Å R-free 0.288 |
| 1GWR HUMAN OESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH 17BETA-OESTRADIOL AND TIF2 NRBOX3 PEPTIDE Deposited 2002-03-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
742–750（9 aa）
Fragment：NUCLEAR RECEPTOR BOX III RESIDUES 742-750
|
Not recorded | EST ESTRADIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；2-2.5% (W/V) PEG 20000 0.1M HEPES PH7.8, pH 7.80
|
Resolution 2.40 Å R-free 0.288 |
| 1M2Z Crystal structure of a dimer complex of the human glucocorticoid receptor ligand-binding domain bound to dexamethasone and a TIF2 coactivator motif Deposited 2002-06-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
734–754（21 aa）
Fragment：TIF2 coactivator motif, residues 734-754
Chain E
734–754（21 aa）
Fragment：TIF2 coactivator motif, residues 734-754
|
Not recorded | BOG octyl beta-D-glucopyranoside × 3 DEX DEXAMETHASONE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；salts, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.267 |
| 1MV9 Crystal Structure of the human RXR alpha ligand binding domain bound to the eicosanoid DHA (Docosa Hexaenoic Acid) and a coactivator peptide Deposited 2002-09-24 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：NR box
|
Not recorded | HXA DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；PEG 4000, glycerol, NaCl, Pipes or BisTris, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.90 Å R-free 0.249 |
| 1MVC Crystal structure of the human RXR alpha ligand binding domain bound to the synthetic agonist compound BMS 649 and a coactivator peptide Deposited 2002-09-24 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：NR box
|
Not recorded | BM6 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；PEG 4000, NaCl, Glycerol, BisTris, Pipes, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
|
Resolution 1.90 Å R-free 0.228 |
| 1MZN CRYSTAL STRUCTURE at 1.9 ANGSTROEMS RESOLUTION OF THE HOMODIMER OF HUMAN RXR ALPHA LIGAND BINDING DOMAIN BOUND TO THE SYNTHETIC AGONIST COMPOUND BMS 649 AND A COACTIVATOR PEPTIDE Deposited 2002-10-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：NR box
Chain D
686–698（13 aa）
Fragment：NR box
|
Not recorded | BM6 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；PEG 4000, NaCl, Pipes, BisTris, glycerol, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.90 Å R-free 0.232 |
| 1MZN CRYSTAL STRUCTURE at 1.9 ANGSTROEMS RESOLUTION OF THE HOMODIMER OF HUMAN RXR ALPHA LIGAND BINDING DOMAIN BOUND TO THE SYNTHETIC AGONIST COMPOUND BMS 649 AND A COACTIVATOR PEPTIDE Deposited 2002-10-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain F
686–698（13 aa）
Fragment：NR box
Chain H
686–698（13 aa）
Fragment：NR box
|
Not recorded | BM6 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；PEG 4000, NaCl, Pipes, BisTris, glycerol, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.90 Å R-free 0.232 |
| 1P93 CRYSTAL STRUCTURE OF THE AGONIST FORM OF GLUCOCORTICOID RECEPTOR Deposited 2003-05-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
740–751（12 aa）
Fragment：TIF PEPTIDE 12mer
|
Not recorded | DEX DEXAMETHASONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；281 K；PEG 400, MgCl2, Dioxane, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.70 Å R-free 0.363 |
| 1P93 CRYSTAL STRUCTURE OF THE AGONIST FORM OF GLUCOCORTICOID RECEPTOR Deposited 2003-05-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain F
740–751（12 aa）
Fragment：TIF PEPTIDE 12mer
|
Not recorded | DEX DEXAMETHASONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；281 K；PEG 400, MgCl2, Dioxane, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.70 Å R-free 0.363 |
| 1P93 CRYSTAL STRUCTURE OF THE AGONIST FORM OF GLUCOCORTICOID RECEPTOR Deposited 2003-05-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain G
740–751（12 aa）
Fragment：TIF PEPTIDE 12mer
|
Not recorded | DEX DEXAMETHASONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；281 K；PEG 400, MgCl2, Dioxane, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.70 Å R-free 0.363 |
| 1P93 CRYSTAL STRUCTURE OF THE AGONIST FORM OF GLUCOCORTICOID RECEPTOR Deposited 2003-05-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain H
740–751（12 aa）
Fragment：TIF PEPTIDE 12mer
|
Not recorded | DEX DEXAMETHASONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；281 K；PEG 400, MgCl2, Dioxane, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.70 Å R-free 0.363 |
| 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 ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
740–753（14 aa）
|
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 ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
686–698（13 aa）
|
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 |
| 1UHL Crystal structure of the LXRalfa-RXRbeta LBD heterodimer Deposited 2003-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
687–696（10 aa）
Chain D
687–696（10 aa）
|
Not recorded | MEI (2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID × 1 444 N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；305 K；MES, PEG, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 305K
|
Resolution 2.90 Å R-free 0.326 |
| 1YOK crystal structure of human LRH-1 bound with TIF-2 peptide and phosphatidylglycerol Deposited 2005-01-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
740–753（14 aa）
Fragment：sequence database residues 740-753
Chain C
740–753（14 aa）
Fragment：sequence database residues 740-753
|
Not recorded | P6L (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.9；298 K；Sodium potassium phosphate, glycerol, ethylene glycol, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.50 Å R-free 0.290 |
| 1ZDT The Crystal Structure of Human Steroidogenic Factor-1 Deposited 2005-04-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain P
741–752（12 aa）
Fragment：residues 741-752
|
Not recorded | PEF DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；PEG3350, ammonium sulfate, sucrose, pH 5.5, temperature 277K, VAPOR DIFFUSION, SITTING DROP
|
Resolution 2.10 Å R-free 0.265 |
| 1ZDT The Crystal Structure of Human Steroidogenic Factor-1 Deposited 2005-04-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain Q
741–752（12 aa）
Fragment：residues 741-752
|
Not recorded | PEF DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；PEG3350, ammonium sulfate, sucrose, pH 5.5, temperature 277K, VAPOR DIFFUSION, SITTING DROP
|
Resolution 2.10 Å R-free 0.265 |
| 1ZDT The Crystal Structure of Human Steroidogenic Factor-1 Deposited 2005-04-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain P
741–752（12 aa）
Fragment：residues 741-752
Chain Q
741–752（12 aa）
Fragment：residues 741-752
|
Not recorded | PEF DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；PEG3350, ammonium sulfate, sucrose, pH 5.5, temperature 277K, VAPOR DIFFUSION, SITTING DROP
|
Resolution 2.10 Å R-free 0.265 |
| 1ZDU The Crystal Structure of Human Liver Receptor Homologue-1 Deposited 2005-04-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain P
741–751（11 aa）
Fragment：residues 741-751
Chain Q
741–751（11 aa）
Fragment：residues 741-751
|
Not recorded | P3A PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；NaH2PO4, K2HPO4, pH 7.5, temperature 293K, VAPOR DIFFUSION, SITTING DROP
|
Resolution 2.50 Å R-free 0.281 |
| 1ZKY Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-3M and A Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide Deposited 2005-05-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Residues 686 - 698
Chain D
686–698（13 aa）
Fragment：Residues 686 - 698
|
Not recorded | 689 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；289 K；0.2M sodium malonate, 20% PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 2.25 Å R-free 0.231 |
| 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 ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
740–753（14 aa）
Fragment：BOX 3, RESIDUES 740-753
|
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 |
| 2B1V Human estrogen receptor alpha ligand-binding domain in complex with OBCP-1M and a glucocorticoid receptor interacting protein 1 NR box II peptide Deposited 2005-09-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：RESIDUES 686 - 698
Chain D
686–698（13 aa）
Fragment：RESIDUES 686 - 698
|
Not recorded | 458 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；pH 8.50
|
Resolution 1.80 Å R-free 0.238 |
| 2B1Z Human estrogen receptor alpha ligand-binding domain in complex with 17methyl-17alpha-dihydroequilenin and a glucoc interacting protein 1 NR box II peptide Deposited 2005-09-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：RESIDUES 686 - 698
Chain D
686–698（13 aa）
Fragment：RESIDUES 686 - 698
|
Not recorded | 17M 17-METHYL-17-ALPHA-DIHYDROEQUILENIN × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；pH 8.50
|
Resolution 1.78 Å R-free 0.238 |
| 2B23 Human estrogen receptor alpha ligand-binding domain and a glucocorticoid receptor-interacting protein 1 NR box II peptide Deposited 2005-09-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：RESIDUES 686 - 698
Chain D
686–698（13 aa）
Fragment：RESIDUES 686 - 698
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.5；pH 4.50
|
Resolution 2.10 Å R-free 0.272 |
| 2FAI Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-2M and A Glucocorticoid Receptor Interacting Protein 1 NR Box II Peptide Deposited 2005-12-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Chain D
686–698（13 aa）
|
Not recorded | 459 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.2M Ammonium Sulfate
0.1M Tris pH 8.5
25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 2.10 Å R-free 0.240 |
| 2G44 Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-1M-G and A Glucocorticoid Receptor Interacting Protein 1 NR Box II Peptide Deposited 2006-02-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：GRIP PEPTIDE
Chain D
686–698（13 aa）
Fragment：GRIP PEPTIDE
|
Not recorded | T3O 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.2M AMMONIUM SULFATE 0.1M TRIS PH 7.0 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 289K
|
Resolution 2.65 Å R-free 0.256 |
| 2G5O Human estrogen receptor alpha ligand-binding domain in complex with 2-(but-1-enyl)-17beta-estradiol and a glucocorticoid receptor interacting protein 1 NR BOX II Peptide Deposited 2006-02-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：GRIP PEPTIDE
Chain D
686–698（13 aa）
Fragment：GRIP PEPTIDE
|
Not recorded | DRQ (9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；289 K；0.2M MAGENESIUM CHLORIDE 0.1M TRIS P 8.0 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 2.30 Å R-free 0.264 |
| 2P15 Crystal structure of the ER alpha ligand binding domain with the agonist ortho-trifluoromethylphenylvinyl estradiol Deposited 2007-03-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Chain D
686–698（13 aa）
|
Not recorded | EZT (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；20% PEG 4000, 0.2M Ammonium sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.94 Å R-free 0.216 |
| 2P1T Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-methoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2 Deposited 2007-03-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：nuclear receptor interaction motif 2 (residues 686-698)
|
Not recorded | 3TN (2E)-3-[4-HYDROXY-3-(3-METHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；16% PEG 3350, 0.1M Tris, 1M ammonium acetate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 1.80 Å R-free 0.218 |
| 2P1U Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-ethoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2 Deposited 2007-03-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：nuclear receptor interaction motif 2 (residues 686-698)
|
Not recorded | 4TN (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-4-HYDROXYPHENYL]ACRYLIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；14% PEG 10000, 0.1M Tris, 1M ammonium chloride, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.20 Å R-free 0.251 |
| 2P1V Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-propoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2 Deposited 2007-03-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：nuclear receptor interaction motif 2 (residues 686-698)
|
Not recorded | 5TN (2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；24% PEG 4000, 0.1M Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.20 Å R-free 0.232 |
| 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 ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
740–753（14 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 |
| 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 ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
740–753（14 aa）
|
Not recorded | TES TESTOSTERONE × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.92 Å R-free 0.221 |
| 2ZXZ Crystal structure of the human RXR alpha ligand binding domain bound to a synthetic agonist compound and a coactivator peptide Deposited 2009-01-09 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | P26 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；10mM Tris-HCl, 250mM NaCl, 5mM DTT, 50mM calcium acetate, 18% PEG3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K
|
Resolution 3.00 Å R-free 0.278 |
| 2ZY0 Crystal structure of the human RXR alpha ligand binding domain bound to a synthetic agonist compound and a coactivator peptide Deposited 2009-01-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Chain D
686–698（13 aa）
|
Not recorded | 21P 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-1,3-benzodisilol-5-yl)-1,3-dioxolan-2-yl]benzoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；10mM Tris-HCl, 250mM NaCl, 5mM DTT, 50mM calcium acetate, 18% PEG3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K
|
Resolution 2.90 Å R-free 0.289 |
| 3A9E Crystal structure of a mixed agonist-bound RAR-alpha and antagonist-bound RXR-alpha heterodimer ligand binding domains Deposited 2009-10-24 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain I
686–698（13 aa）
|
Not recorded | 754 (2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid × 1 REA RETINOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；290 K；200mM potassium thiocyanate, 20% PEG 3350, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K
|
Resolution 2.75 Å R-free 0.264 |
| 3A9E Crystal structure of a mixed agonist-bound RAR-alpha and antagonist-bound RXR-alpha heterodimer ligand binding domains Deposited 2009-10-24 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain I
686–698（13 aa）
|
Not recorded | 754 (2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid × 2 REA RETINOIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；290 K；200mM potassium thiocyanate, 20% PEG 3350, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K
|
Resolution 2.75 Å R-free 0.264 |
| 3DZU Intact PPAR gamma - RXR alpha Nuclear Receptor Complex on DNA bound with BVT.13, 9-cis Retinoic Acid and NCOA2 Peptide Deposited 2008-07-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Heteromer；Protein × 4 PDB declaration: hexameric |
Chain E
685–697（13 aa）
Chain G
685–697（13 aa）
|
Not recorded | ZN ZINC ION × 4 9CR (9cis)-retinoic acid × 1 PLB 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；15-18% PEG 3350, 25mM MgCl2, 100mM NH4Cl, 5mM DTT and 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 3.20 Å R-free 0.272 |
| 3DZY Intact PPAR gamma - RXR alpha Nuclear Receptor Complex on DNA bound with Rosiglitazone, 9-cis Retinoic Acid and NCOA2 Peptide Deposited 2008-07-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Heteromer；Protein × 4 PDB declaration: hexameric |
Chain E
685–697（13 aa）
Chain G
685–697（13 aa）
|
Not recorded | 9CR (9cis)-retinoic acid × 1 ZN ZINC ION × 4 BRL 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL) × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；15-18% PEG 3350, 25mM MgCl2, 100mM NH4Cl, 5mM DTT and 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 3.10 Å R-free 0.268 |
| 3E00 Intact PPAR gamma - RXR alpha Nuclear Receptor Complex on DNA bound with GW9662, 9-cis Retinoic Acid and NCOA2 Peptide Deposited 2008-07-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Heteromer；Protein × 4 PDB declaration: hexameric |
Chain E
685–697（13 aa）
Chain G
685–697（13 aa）
|
Not recorded | ZN ZINC ION × 4 9CR (9cis)-retinoic acid × 1 GW9 2-chloro-5-nitro-N-phenylbenzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；15-18% PEG 3350, 25mM MgCl2, 100mM NH4Cl, 5mM DTT and 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 3.10 Å R-free 0.276 |
| 3E7C Glucocorticoid Receptor LBD bound to GSK866 Deposited 2008-08-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain D
741–751（11 aa）
Fragment：UNP RESIDUES 741-751
Chain H
741–751（11 aa）
Fragment：UNP RESIDUES 741-751
|
Not recorded | 866 5-amino-N-[(2S)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide × 2 GOL GLYCEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1M MES pH 6.5, 1.6M MgSO4,
0.1% betahexaglucoside, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.15 Å R-free 0.266 |
| 3E7C Glucocorticoid Receptor LBD bound to GSK866 Deposited 2008-08-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain H
741–751（11 aa）
Fragment：UNP RESIDUES 741-751
|
Not recorded | 866 5-amino-N-[(2S)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1M MES pH 6.5, 1.6M MgSO4,
0.1% betahexaglucoside, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.15 Å R-free 0.266 |
| 3E7C Glucocorticoid Receptor LBD bound to GSK866 Deposited 2008-08-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
741–751（11 aa）
Fragment：UNP RESIDUES 741-751
|
Not recorded | 866 5-amino-N-[(2S)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide × 1 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1M MES pH 6.5, 1.6M MgSO4,
0.1% betahexaglucoside, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.15 Å R-free 0.266 |
| 3E94 Crystal structure of RXRalpha ligand binding domain in complex with tributyltin and a coactivator fragment Deposited 2008-08-21 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：Nuclear Receptor box 2 (UNP residues 686-698)
|
Not recorded | TBY tributylstannanyl × 2 ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.5；293 K；PEG 4000, ammonium acetate, pH 7.5, VAPOR DIFFUSION, temperature 293K
|
Resolution 1.90 Å R-free 0.225 |
| 3FUG Crystal Structure of the Retinoid X Receptor Ligand Binding Domain Bound to the Synthetic Agonist 3-[4-Hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-phenyl]acrylic Acid Deposited 2009-01-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
686–698（13 aa）
Fragment：NUCLEAR RECEPTOR INTERACTION MOTIF 2 (RESIDUES 686-698)
|
Not recorded | 2E3 (2E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；20% PEG 4000, 0.1M TRIS, 1M AMMONIUM ACETATE, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.241 |
| 3FUG Crystal Structure of the Retinoid X Receptor Ligand Binding Domain Bound to the Synthetic Agonist 3-[4-Hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-phenyl]acrylic Acid Deposited 2009-01-14 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：NUCLEAR RECEPTOR INTERACTION MOTIF 2 (RESIDUES 686-698)
|
Not recorded | 2E3 (2E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；20% PEG 4000, 0.1M TRIS, 1M AMMONIUM ACETATE, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.241 |
| 3GN8 X-ray Crystal Structure of AncGR2 in Complex with Dexamethasone Deposited 2009-03-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
734–754（21 aa）
Fragment：sequence database residues 734-754
|
Not recorded | DEX DEXAMETHASONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；0.5-0.75M ammonium acetate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.50 Å R-free 0.255 |
| 3GN8 X-ray Crystal Structure of AncGR2 in Complex with Dexamethasone Deposited 2009-03-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
734–754（21 aa）
Fragment：sequence database residues 734-754
|
Not recorded | DEX DEXAMETHASONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；0.5-0.75M ammonium acetate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.50 Å R-free 0.255 |
| 3K23 Glucocorticoid Receptor with Bound D-prolinamide 11 Deposited 2009-09-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
740–751（12 aa）
Fragment：UNP residues 740-751
|
Not recorded | JZN 1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M MES 6.5, 28% PEG 5K MME, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 3.00 Å R-free 0.289 |
| 3K23 Glucocorticoid Receptor with Bound D-prolinamide 11 Deposited 2009-09-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
740–751（12 aa）
Fragment：UNP residues 740-751
|
Not recorded | JZN 1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M MES 6.5, 28% PEG 5K MME, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 3.00 Å R-free 0.289 |
| 3K23 Glucocorticoid Receptor with Bound D-prolinamide 11 Deposited 2009-09-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain F
740–751（12 aa）
Fragment：UNP residues 740-751
|
Not recorded | JZN 1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M MES 6.5, 28% PEG 5K MME, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 3.00 Å R-free 0.289 |
| 3KWY Crystal structure of RXRalpha ligand binding domain in complex with triphenyltin and a coactivator fragment Deposited 2009-12-02 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：Nuclear Receptor box 2 (UNP residue 686-698)
|
Not recorded | T9T triphenylstannanyl × 2 ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.5；293 K；PEG 4000, acetate ammonium, Tris-HCl, pH 7.5, VAPOR DIFFUSION, temperature 293K
|
Resolution 2.30 Å R-free 0.244 |
| 3KYT Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand Deposited 2009-12-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
686–697（12 aa）
Fragment：SCR2-2
|
Not recorded | HC2 20-HYDROXYCHOLESTEROL × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.35 Å R-free 0.298 |
| 3L03 Crystal Structure of human Estrogen Receptor alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II peptide and Estetrol (Estra-1,3,5(10)-triene-3,15 alpha,16alpha,17beta-tetrol) Deposited 2009-12-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Chain D
686–698（13 aa）
|
Not recorded | CL CHLORIDE ION × 1 GOL GLYCEROL × 1 4OH (14beta,15alpha,16alpha,17alpha)-estra-1,3,5(10)-triene-3,15,16,17-tetrol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；289 K；15% (v/v) ethanol, HEPES pH 7.5, MgCl2 , VAPOR DIFFUSION, SITTING DROP, temperature 289K
|
Resolution 1.90 Å R-free 0.220 |
| 3L0E X-ray crystal structure of a Potent Liver X Receptor Modulator Deposited 2009-12-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
740–751（12 aa）
Fragment：UNP residues 740-751
|
Not recorded | G58 N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；1:1 (v/v) ratio of the protein complex and PEG 2K MME 20%, 0.2mM MgCl2, 0.1mM TRIS HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.30 Å R-free 0.237 |
| 3L0E X-ray crystal structure of a Potent Liver X Receptor Modulator Deposited 2009-12-09 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
740–751（12 aa）
Fragment：UNP residues 740-751
|
Not recorded | G58 N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；1:1 (v/v) ratio of the protein complex and PEG 2K MME 20%, 0.2mM MgCl2, 0.1mM TRIS HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.30 Å R-free 0.237 |
| 3L0J Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand Deposited 2009-12-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
688–697（10 aa）
Fragment：SRC2-2
|
Not recorded | HC9 (3alpha,8alpha,22R)-cholest-5-ene-3,22-diol × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.40 Å R-free 0.283 |
| 3L0L Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand Deposited 2009-12-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
685–697（13 aa）
Fragment：SRC2-2
|
Not recorded | HC3 25-HYDROXYCHOLESTEROL × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.74 Å R-free 0.252 |
| 3L0L Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand Deposited 2009-12-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
685–697（13 aa）
Fragment：SRC2-2
|
Not recorded | HC3 25-HYDROXYCHOLESTEROL × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.74 Å R-free 0.252 |
| 3O1D Structure-function study of Gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097. Deposited 2010-07-21 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | G72 (1R,3R,7E,17beta)-17-[(1S)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,10-secoestra-5,7-diene-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；297 K；50 mM BIS-TRIS pH6.5, 1.6 M lithium sulfate, 50 mM magnesium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 297K
|
Resolution 2.40 Å R-free 0.267 |
| 3O1E Structure-function of Gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097. Deposited 2010-07-21 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | H97 (1R,3R,7E,17beta)-17-[(1R)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1 0-secoestra-5,7-diene-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；297 K；50 mM BIS-TRIS pH6.5, 1.6 M lithium sulfate, 50 mM magnesium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 297K
|
Resolution 2.50 Å R-free 0.272 |
| 3OAP Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 9-cis retinoic acid and the coactivator peptide GRIP-1 Deposited 2010-08-05 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–696（11 aa）
Fragment：GRIP-1, UNP residues 686-696
|
Not recorded | 9CR (9cis)-retinoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；4-20% PEG4000, 4-16% glycerol, 0.1M Bis-Tris, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 2.05 Å R-free 0.244 |
| 3OZJ Crystal structure of human retinoic X receptor alpha complexed with bigelovin and coactivator SRC-1 Deposited 2010-09-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–696（11 aa）
Fragment：UNP residues 686-696
Chain D
686–696（11 aa）
Fragment：UNP residues 686-696
|
Not recorded | BGV (3aR,4S,4aR,7aR,8R,9aS)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；8% v/v Tacsimate pH7.5, 20% w/v PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.10 Å |
| 3PCU Crystal structure of human retinoic X receptor alpha ligand-binding domain complexed with LX0278 and SRC1 peptide Deposited 2010-10-22 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
687–696（10 aa）
Fragment：SRC-1 peptide (UNP residues 687-696)
|
Not recorded | LX8 2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；8% v/v Tacsimate pH8.0, 20% w/v PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.00 Å |
| 3PLZ Human LRH1 LBD bound to GR470 Deposited 2010-11-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
740–753（14 aa）
Fragment：UNP residues 740-753
|
Not recorded | 470 (3aS,6aR)-5-[(4E)-oct-4-en-4-yl]-N,4-diphenyl-2,3,6,6a-tetrahydropentalen-3a(1H)-amine × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；0.2M ammonium sulfate, 0.1M sodium acetate trihydrate, 25% w/v polyethylene glycol 4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.75 Å R-free 0.214 |
| 3PLZ Human LRH1 LBD bound to GR470 Deposited 2010-11-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
740–753（14 aa）
Fragment：UNP residues 740-753
|
Not recorded | 470 (3aS,6aR)-5-[(4E)-oct-4-en-4-yl]-N,4-diphenyl-2,3,6,6a-tetrahydropentalen-3a(1H)-amine × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；0.2M ammonium sulfate, 0.1M sodium acetate trihydrate, 25% w/v polyethylene glycol 4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.75 Å R-free 0.214 |
| 3Q95 Crystal structure of human estrogen receptor alpha LBD in complex with GRIP peptide and estriol Deposited 2011-01-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
686–698（13 aa）
|
Not recorded | ESL ESTRIOL × 1 CL CHLORIDE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；289 K；0.2 M Lithium sulfate monohydrate, 0.1 M Tris pH 8.5, 25% w/v Polyethylene glycol 3,350, VAPOR DIFFUSION, SITTING DROP, temperature 289K
|
Resolution 2.05 Å R-free 0.241 |
| 3Q95 Crystal structure of human estrogen receptor alpha LBD in complex with GRIP peptide and estriol Deposited 2011-01-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
686–698（13 aa）
|
Not recorded | ESL ESTRIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；289 K；0.2 M Lithium sulfate monohydrate, 0.1 M Tris pH 8.5, 25% w/v Polyethylene glycol 3,350, VAPOR DIFFUSION, SITTING DROP, temperature 289K
|
Resolution 2.05 Å R-free 0.241 |
| 3R5M Crystal structure of RXRalphaLBD complexed with the agonist magnolol Deposited 2011-03-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
687–696（10 aa）
Fragment：UNP residues 687-696
Chain D
687–696（10 aa）
Fragment：UNP residues 687-696
|
Not recorded | MLO 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20% PEG3350, 100 mM Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.80 Å R-free 0.293 |
| 3UP0 Nuclear receptor DAF-12 from hookworm Ancylostoma ceylanicum in complex with (25S)-delta7-dafachronic acid Deposited 2011-11-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain P
740–753（14 aa）
Fragment：nuclear receptor binding motif (UNP residues 740-753)
|
Not recorded | D7S (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
SITTING DROP；pH 5.1；293 K；26% w/v PEG2000, 0.2 M ammonium acetate, pH 5.1, SITTING DROP, temperature 293K
|
Resolution 1.60 Å R-free 0.202 |
| 3UP0 Nuclear receptor DAF-12 from hookworm Ancylostoma ceylanicum in complex with (25S)-delta7-dafachronic acid Deposited 2011-11-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain Q
740–753（14 aa）
Fragment：nuclear receptor binding motif (UNP residues 740-753)
|
Not recorded | D7S (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
SITTING DROP；pH 5.1；293 K；26% w/v PEG2000, 0.2 M ammonium acetate, pH 5.1, SITTING DROP, temperature 293K
|
Resolution 1.60 Å R-free 0.202 |
| 3UP3 Nuclear receptor DAF-12 from hookworm Ancylostoma ceylanicum in complex with (25S)-cholestenoic acid Deposited 2011-11-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain P
741–754（14 aa）
Fragment：nuclear receptor binding motif (UNP residues 741-754)
|
Not recorded | XCA (8alpha,10alpha,25S)-3-hydroxycholesta-3,5-dien-26-oic acid × 1 EDO 1,2-ETHANEDIOL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
293 K；20% w/v PEG3350, 0.2 M diammonium tartrate, SITTING DROP, temperature 293K
|
Resolution 1.25 Å R-free 0.180 |
| 4DOS Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to DLPC and a Fragment of TIF-2 Deposited 2012-02-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
740–753（14 aa）
Fragment：NR Box 3, UNP residues 740-753
Chain C
740–753（14 aa）
Fragment：NR Box 3, UNP residues 740-753
|
Not recorded | 1PE PENTAETHYLENE GLYCOL × 3 PLC DIUNDECYL PHOSPHATIDYL CHOLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
hanging drop vapor diffusion；pH 5.2；298 K；18%-24% PEG 400, 5% glycerol, 0.1M lithium sulfate, and 0.1M sodium acetate pH 5.2, hanging drop vapor diffusion, temperature 298K
|
Resolution 2.00 Å R-free 0.238 |
| 4DOS Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to DLPC and a Fragment of TIF-2 Deposited 2012-02-10 | 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 B
740–753（14 aa）
Fragment：NR Box 3, UNP residues 740-753
Chain C
740–753（14 aa）
Fragment：NR Box 3, UNP residues 740-753
|
Not recorded | 1PE PENTAETHYLENE GLYCOL × 3 PLC DIUNDECYL PHOSPHATIDYL CHOLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
hanging drop vapor diffusion；pH 5.2；298 K；18%-24% PEG 400, 5% glycerol, 0.1M lithium sulfate, and 0.1M sodium acetate pH 5.2, hanging drop vapor diffusion, temperature 298K
|
Resolution 2.00 Å R-free 0.238 |
| 4DOS Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to DLPC and a Fragment of TIF-2 Deposited 2012-02-10 | 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 B
740–753（14 aa）
Fragment：NR Box 3, UNP residues 740-753
Chain C
740–753（14 aa）
Fragment：NR Box 3, UNP residues 740-753
|
Not recorded | 1PE PENTAETHYLENE GLYCOL × 6 PLC DIUNDECYL PHOSPHATIDYL CHOLINE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
hanging drop vapor diffusion；pH 5.2；298 K；18%-24% PEG 400, 5% glycerol, 0.1M lithium sulfate, and 0.1M sodium acetate pH 5.2, hanging drop vapor diffusion, temperature 298K
|
Resolution 2.00 Å R-free 0.238 |
| 4FHH Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D receptor agonism and histone deacetylase inhibition Deposited 2012-06-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：UNP RESIDUES 686-698
|
Not recorded | 0U3 N-hydroxy-2-{4-[3-(4-{[(2S)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；Bis Tris 0.1M, lithium sulfate 1.6M and magnesium sulfate 50 mM, VAPOR DIFFUSION, HANGING DROP, temperature 291K, pH 6.5
|
Resolution 2.33 Å R-free 0.258 |
| 4IA1 Diastereotopic and Deuterium Effects in Gemini Deposited 2012-12-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：unp residues 686-698
|
Not recorded | BIV 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E) × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；Bis Tris 0.1M, lithium sulfate 1.6M and magnesium sulfate 50 mM , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.44 Å R-free 0.260 |
| 4IA2 Diastereotopic and Deuterium Effects in Gemini Deposited 2012-12-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：LXXLL peptide unp residues 686-698
|
Not recorded | BIV 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E) × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；Bis-Tris 0.1 M, lithium sulfate 1.6 M and magnesium sulfate 50 mM , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.95 Å R-free 0.256 |
| 4IA3 Diastereotopic and Deuterium Effects in Gemini Deposited 2012-12-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：LXXLL peptide (unp residues 686-698)
|
Not recorded | BIV 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E) × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；Bis-Tris 0.1 M, lithium sulfate 1.6 M and magnesium sulfate 50 mM , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.70 Å R-free 0.260 |
| 4IA7 Diastereotopic and Deuterium Effects in Gemini Deposited 2012-12-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：LXXLL peptide (unp residues 686-698)
|
Not recorded | BIV 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E) × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；Bis-Tris 0.1 M, lithium sulfate 1.6 M and magnesium sulfate 50 mM , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.70 Å R-free 0.255 |
| 4IQR Multi-Domain Organization of the HNF4alpha Nuclear Receptor Complex on DNA Deposited 2013-01-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Heteromer；Protein × 4 PDB declaration: hexameric |
Chain I
685–697（13 aa）
Fragment：LxxLL motif peptide (unp residues 685-697)
Chain J
685–697（13 aa）
Fragment：LxxLL motif peptide (unp residues 685-697)
|
Not recorded | MYR MYRISTIC ACID × 2 ZN ZINC ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1M MES, 25mM NH4Cl, 25mM MgCl2 and PEG 3350 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.90 Å R-free 0.278 |
| 4IQR Multi-Domain Organization of the HNF4alpha Nuclear Receptor Complex on DNA Deposited 2013-01-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein–DNA Heteromer；Protein × 4 PDB declaration: hexameric |
Chain K
685–697（13 aa）
Fragment：LxxLL motif peptide (unp residues 685-697)
Chain L
685–697（13 aa）
Fragment：LxxLL motif peptide (unp residues 685-697)
|
Not recorded | MYR MYRISTIC ACID × 2 ZN ZINC ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1M MES, 25mM NH4Cl, 25mM MgCl2 and PEG 3350 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.90 Å R-free 0.278 |
| 4IU7 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 2b Deposited 2013-01-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
|
Not recorded | 1GM 4-[2-ethyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
Resolution 2.29 Å R-free 0.237 |
| 4IU7 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 2b Deposited 2013-01-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
|
Not recorded | 1GM 4-[2-ethyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
Resolution 2.29 Å R-free 0.237 |
| 4IU7 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 2b Deposited 2013-01-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
Chain D
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
|
Not recorded | 1GM 4-[2-ethyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
Resolution 2.29 Å R-free 0.237 |
| 4IUI Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY derivative, 4a Deposited 2013-01-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
Chain D
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
|
Not recorded | 1GQ 4-[1-butyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
Resolution 2.30 Å R-free 0.312 |
| 4IV2 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 5a Deposited 2013-01-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
Chain D
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
|
Not recorded | 1GR 4-[1-(2-methylpropyl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
Resolution 2.14 Å R-free 0.226 |
| 4IV4 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 5b Deposited 2013-01-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
Chain D
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
|
Not recorded | 1GS 4-[2-(2-methylpropyl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
Resolution 2.30 Å R-free 0.237 |
| 4IVW Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 6b Deposited 2013-01-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
|
Not recorded | 1GJ 4-[2-benzyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
Resolution 2.06 Å R-free 0.230 |
| 4IVW Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 6b Deposited 2013-01-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
|
Not recorded | 1GJ 4-[2-benzyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
Resolution 2.06 Å R-free 0.230 |
| 4IVW Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 6b Deposited 2013-01-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
Chain D
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
|
Not recorded | 1GJ 4-[2-benzyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
Resolution 2.06 Å R-free 0.230 |
| 4IVY Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 7a Deposited 2013-01-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
Chain D
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
|
Not recorded | 1GT 4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
Resolution 1.95 Å R-free 0.232 |
| 4IW6 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 7b Deposited 2013-01-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
Chain D
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
|
Not recorded | 1GU 4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
Resolution 1.98 Å R-free 0.227 |
| 4IW8 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 9a Deposited 2013-01-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
Chain D
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
|
Not recorded | KN3 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
Resolution 2.04 Å R-free 0.247 |
| 4IWC Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with a Dynamic Thiophene-derivative Deposited 2013-01-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
Chain D
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
|
Not recorded | 1GV 4,4'-thiene-2,5-diylbis(3-methylphenol) × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
Resolution 2.24 Å R-free 0.227 |
| 4IWF Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with a Dynamic Oxime-derivative Deposited 2013-01-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
Chain D
687–696（10 aa）
Fragment：Receptor-interacting peptide, UNP residues 687-696
|
Not recorded | 15Q 2-chloro-3'-fluoro-3-[(E)-(hydroxyimino)methyl]biphenyl-4,4'-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
Resolution 1.93 Å R-free 0.209 |
| 4K4J Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 9cUAB30 and the coactivator peptide GRIP-1 Deposited 2013-04-12 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：coactivator peptide, UNP residues 686-698
|
Not recorded | 1O8 (2E,4E,6Z,8E)-8-(3,4-dihydronaphthalen-1(2H)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；5-10% PEG4000, 2-5% Glycerol, 0.1M Bis-Tris, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.00 Å R-free 0.283 |
| 4K6I Crystal structure of human retinoid X receptor alpha-ligand binding domain complex with Targretin and the coactivator peptide GRIP-1 Deposited 2013-04-15 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：coactivator peptide, UNP residues 686-698
|
Not recorded | 9RA 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；5-15% PEG4000, 6-12% Glycerol, 0.1M Bis-Tris pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.10 Å R-free 0.288 |
| 4M8E CRYSTAL STRUCTURE OF HUMAN RETINOID X RECEPTOR ALPHA-LIGAND BINDING DOMAIN COMPLEX WITH (S) 4-Methyl 9cUAB30 COACTIVATOR PEPTIDE GRIP-1 Deposited 2013-08-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–696（11 aa）
Fragment：GRIP-1, UNP RESIDUES 686-696
|
Not recorded | 29V (3E,6Z,8E)-3,7-dimethyl-8-[(4S)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-3,6-dienoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；4-20% PEG4000, 4-16% GLYCEROL, 0.1M BIS-TRIS, PH7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295K
|
Resolution 2.40 Å R-free 0.247 |
| 4M8H CRYSTAL STRUCTURE OF HUMAN RETINOID X RECEPTOR ALPHA-LIGAND BINDING DOMAIN COMPLEX WITH (R)4-METHYL 9cUAB30 AND COACTIVATOR PEPTIDE GRIP-1 Deposited 2013-08-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–696（11 aa）
Fragment：GRIP-1, UNP RESIDUES 686-696
|
Not recorded | R4M (2E,6Z,8E)-3,7-dimethyl-8-[(4R)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-2,6-dienoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；4-20% PEG4000, 4-16% GLYCEROL, 0.1M BIS-TRIS, PH7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295K
|
Resolution 2.20 Å R-free 0.265 |
| 4NQA Crystal structure of liganded hRXR-alpha/hLXR-beta heterodimer on DNA Deposited 2013-11-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Heteromer；Protein × 4 PDB declaration: hexameric |
Chain C
686–698（13 aa）
Fragment：peptide (UNP residues 686-698)
Chain D
686–698（13 aa）
Fragment：peptide (UNP residues 686-698)
|
Not recorded | 9CR (9cis)-retinoic acid × 1 ZN ZINC ION × 4 965 [3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；6% PEG8000, 18% isopropanol, 0.05 M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 3.10 Å R-free 0.218 |
| 4NQA Crystal structure of liganded hRXR-alpha/hLXR-beta heterodimer on DNA Deposited 2013-11-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein–DNA Heteromer；Protein × 4 PDB declaration: hexameric |
Chain J
686–698（13 aa）
Fragment：peptide (UNP residues 686-698)
Chain K
686–698（13 aa）
Fragment：peptide (UNP residues 686-698)
|
Not recorded | 9CR (9cis)-retinoic acid × 1 ZN ZINC ION × 4 965 [3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；6% PEG8000, 18% isopropanol, 0.05 M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 3.10 Å R-free 0.218 |
| 4OC7 Retinoic acid receptor alpha in complex with (E)-3-(3'-allyl-6-hydroxy-[1,1'-biphenyl]-3-yl)acrylic acid and a fragment of the coactivator TIF2 Deposited 2014-01-08 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：nuclear receptor interaction motif 2 (residues 686-698)
|
Not recorded | 2QO (2E)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1 M Na HEPES pH 7.5, 20% PEG 2000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.50 Å R-free 0.242 |
| 4P6W Crystal Structure of mometasone furoate-bound glucocorticoid receptor ligand binding domain Deposited 2014-03-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
741–752（12 aa）
Fragment：SRC2-3 peptide (UNP residues 741-752)
|
Not recorded | MOF MOMETASONE FUROATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1 M imidazole, pH6.5, and 1 M sodium acetate trihydrate. 30% sucrose
|
Resolution 1.95 Å R-free 0.225 |
| 4P6X Crystal Structure of cortisol-bound glucocorticoid receptor ligand binding domain Deposited 2014-03-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
740–753（14 aa）
Fragment：SRC2-3 peptide longer version (UNP residues 740-753)
|
Not recorded | HCY (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1 M imidazole, pH6.5, and 1 M sodium acetate trihydrate. 30% sucrose
|
Resolution 2.50 Å R-free 0.276 |
| 4P6X Crystal Structure of cortisol-bound glucocorticoid receptor ligand binding domain Deposited 2014-03-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
740–753（14 aa）
Fragment：SRC2-3 peptide longer version (UNP residues 740-753)
|
Not recorded | HCY (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1 M imidazole, pH6.5, and 1 M sodium acetate trihydrate. 30% sucrose
|
Resolution 2.50 Å R-free 0.276 |
| 4P6X Crystal Structure of cortisol-bound glucocorticoid receptor ligand binding domain Deposited 2014-03-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain F
740–753（14 aa）
Fragment：SRC2-3 peptide longer version (UNP residues 740-753)
|
Not recorded | HCY (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1 M imidazole, pH6.5, and 1 M sodium acetate trihydrate. 30% sucrose
|
Resolution 2.50 Å R-free 0.276 |
| 4P6X Crystal Structure of cortisol-bound glucocorticoid receptor ligand binding domain Deposited 2014-03-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain H
740–753（14 aa）
Fragment：SRC2-3 peptide longer version (UNP residues 740-753)
|
Not recorded | HCY (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1 M imidazole, pH6.5, and 1 M sodium acetate trihydrate. 30% sucrose
|
Resolution 2.50 Å R-free 0.276 |
| 4P6X Crystal Structure of cortisol-bound glucocorticoid receptor ligand binding domain Deposited 2014-03-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain J
740–753（14 aa）
Fragment：SRC2-3 peptide longer version (UNP residues 740-753)
|
Not recorded | HCY (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1 M imidazole, pH6.5, and 1 M sodium acetate trihydrate. 30% sucrose
|
Resolution 2.50 Å R-free 0.276 |
| 4P6X Crystal Structure of cortisol-bound glucocorticoid receptor ligand binding domain Deposited 2014-03-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain L
740–753（14 aa）
Fragment：SRC2-3 peptide longer version (UNP residues 740-753)
|
Not recorded | HCY (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1 M imidazole, pH6.5, and 1 M sodium acetate trihydrate. 30% sucrose
|
Resolution 2.50 Å R-free 0.276 |
| 4PLD Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, in its apo State Bound to a Fragment of Human TIF-2 Deposited 2014-05-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
740–753（14 aa）
Fragment：UNP RESIDUES 740-753
|
Not recorded | CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；0.7-1 M di-Sodium Malonate, 0.1 M HEPES pH 7.4, 0.5% Jeffamine ED-2001
|
Resolution 1.75 Å R-free 0.225 |
| 4PLE Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to an E. Coli Phospholipid and a Fragment of TIF-2 Deposited 2014-05-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
740–753（14 aa）
Fragment：UNP residues 740-753
|
Not recorded | EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE × 1 CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；0.7-1 M di-Sodium Malonate, 0.1 M HEPES pH 7.4, 0.5% Jeffamine ED-2001
|
Resolution 1.75 Å R-free 0.236 |
| 4PLE Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to an E. Coli Phospholipid and a Fragment of TIF-2 Deposited 2014-05-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
740–753（14 aa）
Fragment：UNP residues 740-753
|
Not recorded | EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE × 1 CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；0.7-1 M di-Sodium Malonate, 0.1 M HEPES pH 7.4, 0.5% Jeffamine ED-2001
|
Resolution 1.75 Å R-free 0.236 |
| 4PLE Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to an E. Coli Phospholipid and a Fragment of TIF-2 Deposited 2014-05-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain F
740–753（14 aa）
Fragment：UNP residues 740-753
|
Not recorded | EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE × 1 CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；0.7-1 M di-Sodium Malonate, 0.1 M HEPES pH 7.4, 0.5% Jeffamine ED-2001
|
Resolution 1.75 Å R-free 0.236 |
| 4PLE Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to an E. Coli Phospholipid and a Fragment of TIF-2 Deposited 2014-05-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain H
740–753（14 aa）
Fragment：UNP residues 740-753
|
Not recorded | EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE × 1 CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；0.7-1 M di-Sodium Malonate, 0.1 M HEPES pH 7.4, 0.5% Jeffamine ED-2001
|
Resolution 1.75 Å R-free 0.236 |
| 4POH Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 8-methyl UAB30 and the coactivator peptide GRIP-1 Deposited 2014-02-25 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：Coactivator peptide, UNP residues 686-698
|
Not recorded | 2VR (2E,4E,6Z,8E)-3,7-dimethyl-8-(8-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；4-12% PEG4000, 3-12% Glycerol, 0.1M Bis-Tris, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.30 Å R-free 0.265 |
| 4POJ Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 7-methyl UAB30 and the coactivator peptide GRIP-1 Deposited 2014-02-25 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：Coactivator peptide, UNP residues 686-698
|
Not recorded | 2VP (2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；4-12% PEG4000, 3-12% Glycerol, 0.1M Bis-Tris, pH 7.0 , VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.00 Å R-free 0.261 |
| 4PP3 Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 6-methyl UAB30 and the coactivator peptide GRIP-1 Deposited 2014-02-26 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：Coactivator peptide, UNP residues 686-698
|
Not recorded | 2VZ (2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；4-12% PEG4000, 3-12% Glycerol, 0.1M Bis-Tris, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.00 Å R-free 0.275 |
| 4PP5 Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 5-methyl UAB30 and the coactivator peptide GRIP-1 Deposited 2014-02-26 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：Coactivator peptide, UNP residues 686-698
|
Not recorded | 2W0 (2E,4E,6Z,8E)-3,7-dimethyl-8-(5-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；4-12% PEG4000, 3-12% Glycerol, 0.1M Bis-Tris, pH 7.0 , VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.00 Å R-free 0.250 |
| 4PP6 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Resveratrol Deposited 2014-02-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
688–696（9 aa）
Fragment：receptor-interacting peptide (UNP residues 688-696)
Chain D
688–696（9 aa）
Fragment：receptor-interacting peptide (UNP residues 688-696)
|
Not recorded | STL RESVERATROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG3350, 0.05 M magnesium chloride, 0.067 M sodium chloride, 0.1 M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
Resolution 2.20 Å R-free 0.221 |
| 4PPP Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Fluoro-Resveratrol Deposited 2014-02-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
688–696（9 aa）
Fragment：receptor-interacting peptide (UNP residues 688-696)
Chain D
688–696（9 aa）
Fragment：receptor-interacting peptide (UNP residues 688-696)
|
Not recorded | FSV 5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG3350, 0.05 M magnesium chloride, 0.067 M sodium chloride, 0.1 M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
Resolution 2.69 Å R-free 0.247 |
| 4PPS Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with an A-CD ring estrogen derivative Deposited 2014-02-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
687–698（12 aa）
Fragment：receptor-interacting peptide (UNP residues 687-698)
Chain D
687–698（12 aa）
Fragment：receptor-interacting peptide (UNP residues 687-698)
|
Not recorded | ESE (1S,3aR,5R,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG3350, 0.05 M magnesium chloride, 0.067 M sodium chloride, 0.1 M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
Resolution 1.93 Å R-free 0.202 |
| 4PXM The Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant in Complex with Estradiol and a glucocorticoid receptor-interacting protein 1 NR box II peptide Deposited 2014-03-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Chain D
686–698（13 aa）
|
Not recorded | EST ESTRADIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298.15 K；20% PEG 3,350, 1 mM Phenylalanine, 64 mM NaCl, 50 mM MgCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.15K
|
Resolution 1.90 Å R-free 0.214 |
| 4Q0A Vitamin D Receptor complex with lithocholic acid Deposited 2014-04-01 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain D
687–695（9 aa）
Fragment：peptide
|
Not recorded | 4OA (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；290 K；BTP 0.1M, NaOAc 3M, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 290K
|
Resolution 1.90 Å R-free 0.244 |
| 4QE8 FXR with DM175 and NCoA-2 peptide Deposited 2014-05-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
740–752（13 aa）
Fragment：unp residues 740-752
|
Not recorded | 31D 4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid × 1 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；277 K；300 mM MgCl2, 100 mM Bis-Tris, 15-20% PEG 3350, pH 7, VAPOR DIFFUSION, temperature 277K
|
Resolution 2.62 Å R-free 0.273 |
| 4QE8 FXR with DM175 and NCoA-2 peptide Deposited 2014-05-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
740–752（13 aa）
Fragment：unp residues 740-752
|
Not recorded | 31D 4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid × 1 EDO 1,2-ETHANEDIOL × 3 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；277 K；300 mM MgCl2, 100 mM Bis-Tris, 15-20% PEG 3350, pH 7, VAPOR DIFFUSION, temperature 277K
|
Resolution 2.62 Å R-free 0.273 |
| 4RFW Crystal structure of human retinoid X Receptor alpha-ligand binding domain complex with 9cUAB70 and the coactivator peptide GRIP-1 Deposited 2014-09-28 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain G
686–698（13 aa）
Fragment：coactivator peptide LXXLL motif 2, residues 686-698
|
Not recorded | 3RB (2E,4E,6Z,8E)-3,7-dimethyl-8-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylidene)octa-2,4,6-trienoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；5-12% PEG4000, 3-12 Glycerol, 0.1 Bis-Tris pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.40 Å R-free 0.261 |
| 4RMC Crystal Structure of human retinoid X receptor alpha-ligand binding domain complex with 9cUAB76 and the coactivator peptide GRIP-1 Deposited 2014-10-21 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：coactivator peptide residues 686-698
|
Not recorded | 3SV (3S,7S,8E)-8-[3-ethyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethyloctanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；5-15% PEG4000, 4-12% Glycerol, 0.1M Bis-Tris, pH=7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.70 Å R-free 0.265 |
| 4RMD Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB110 and coactivator peptide GRIP-1 Deposited 2014-10-21 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：coactivator peptide residues 686-698
|
Not recorded | 3SW (2E,4E,6Z,8E)-8-[3-cyclopropyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；5-15% PEG4000, 4-12% Glycerol, 0.1M Bis-Tris pH=7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.90 Å R-free 0.239 |
| 4RME Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB111 and coactivator peptide GRIP-1 Deposited 2014-10-21 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：coactivator peptide residues 686-698
|
Not recorded | 3T2 (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-(propan-2-yl)cyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；5-15% PEG4000, 4-12% Glycerol, 0.1M Bis-Tris pH=7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.30 Å R-free 0.273 |
| 4RUO Crystal structure of zVDR L337H mutant-gemini complex Deposited 2014-11-21 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Fragment：UNP residues 686-698
|
Not recorded | BIV 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E) × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；Bis-Tris 0.1 M, lithium sulfate 1.6 M and magnesium sulfate 50 mM, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.81 Å R-free 0.261 |
| 4UDC GR in complex with dexamethasone Deposited 2014-12-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
740–753（14 aa）
Fragment：RESIDUES 740-753
|
Not recorded | CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 1 DEX DEXAMETHASONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；10% PEG8000, 10% ETHYLENE GLYCOL, 0.1 M HEPES PH 7.5
|
Resolution 2.50 Å R-free 0.253 |
| 4UDD GR in complex with desisobutyrylciclesonide Deposited 2014-12-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
740–753（14 aa）
Fragment：RESIDUES 740-753
|
Not recorded | CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 3 EDO 1,2-ETHANEDIOL × 1 CV7 DESISOBUYTYRYL CICLESONIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；10% PEG8000, 20% ETHYLENE GLYCOL, 0.1 M HEPES PH 7.5
|
Resolution 1.80 Å R-free 0.224 |
| 4WG0 Crystal structure of a tridecameric superhelix Deposited 2014-09-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 13 PDB declaration: tridecameric |
Chain A
740–752（13 aa）
Fragment：UNP Residues 740-752
Chain B
740–752（13 aa）
Fragment：UNP Residues 740-752
Chain C
740–752（13 aa）
Fragment：UNP Residues 740-752
Chain D
740–752（13 aa）
Fragment：UNP Residues 740-752
Chain E
740–752（13 aa）
Fragment：UNP Residues 740-752
Chain F
740–752（13 aa）
Fragment：UNP Residues 740-752
Chain G
740–752（13 aa）
Fragment：UNP Residues 740-752
Chain H
740–752（13 aa）
Fragment：UNP Residues 740-752
Chain I
740–752（13 aa）
Fragment：UNP Residues 740-752
Chain J
740–752（13 aa）
Fragment：UNP Residues 740-752
Chain K
740–752（13 aa）
Fragment：UNP Residues 740-752
Chain L
740–752（13 aa）
Fragment：UNP Residues 740-752
Chain M
740–752（13 aa）
Fragment：UNP Residues 740-752
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 24 CHD CHOLIC ACID × 13 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 3.5；298 K；2M ammonium sulfate,
5-10% glycerol,
0.1 M citric acid pH 3.5
|
Resolution 1.82 Å R-free 0.218 |
| 4ZN7 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Diethylstilbestrol Deposited 2015-05-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
|
Not recorded | DES DIETHYLSTILBESTROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 1.93 Å R-free 0.226 |
| 4ZN9 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Oxabicyclic Heptene Sulfonate (OBHS) Deposited 2015-05-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：UNP residues 686-698
|
Not recorded | OBH cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.21 Å R-free 0.242 |
| 4ZNH Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Fluoro-substituted OBHS derivative Deposited 2015-05-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：UNP residues 686-698
|
Not recorded | OBC 2-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 1.93 Å R-free 0.251 |
| 4ZNS Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 3-Fluoro-substituted OBHS derivative Deposited 2015-05-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：UNP residues 686-698
|
Not recorded | OFB 3-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 1.86 Å R-free 0.236 |
| 4ZNT Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 3-Bromo-substituted OBHS derivative Deposited 2015-05-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：UNP residues 686-698
|
Not recorded | OBB 3-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 1.90 Å R-free 0.214 |
| 4ZNU Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Methyl-substituted OBHS derivative Deposited 2015-05-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：UNP residues 686-698
|
Not recorded | 4Q9 2-methylphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.40 Å R-free 0.245 |
| 4ZNV Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Methoxy-substituted OBHS derivative Deposited 2015-05-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：UNP residues 686-698
|
Not recorded | 4Q7 2-methoxyphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 1.77 Å R-free 0.197 |
| 4ZNW Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 4-Bromo-substituted OBHS derivative Deposited 2015-05-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：UNP residues 686-698
|
Not recorded | OBM 4-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.31 Å R-free 0.236 |
| 5DI7 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with an methyl-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol Deposited 2015-08-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5CQ (1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.24 Å R-free 0.213 |
| 5DID Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a difluoro-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol Deposited 2015-08-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Chain D
686–699（14 aa）
|
Not recorded | 5CK (1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.24 Å R-free 0.228 |
| 5DIE Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a trifluoro-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1H-inden-1-ol Deposited 2015-08-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5CJ (1S,3aR,5S,7aS)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1H-inden-1-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.24 Å R-free 0.247 |
| 5DIG Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a trifluoromethyl-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol Deposited 2015-09-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5CE (1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.24 Å R-free 0.212 |
| 5DK9 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a phenylamino-substituted ethyl triaryl-ethylene derivative 4,4'-{2-[3-(phenylamino)phenyl]but-1-ene-1,1-diyl}diphenol Deposited 2015-09-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5CC 4,4'-{2-[3-(phenylamino)phenyl]but-1-ene-1,1-diyl}diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.28 Å R-free 0.238 |
| 5DKB Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 3-methylphenylamino-substituted ethyl triaryl-ethylene derivative 4,4'-(2-{3-[(3-methylphenyl)amino]phenyl}but-1-ene-1,1-diyl)diphenol Deposited 2015-09-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5C9 4,4'-(2-{3-[(3-methylphenyl)amino]phenyl}but-1-ene-1,1-diyl)diphenol × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.40 Å R-free 0.226 |
| 5DKG Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a t-butyl-substituted, methyl, triaryl-ethylene derivative 4,4'-[2-(4-tert-butylphenyl)prop-1-ene-1,1-diyl]diphenol Deposited 2015-09-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5C7 4,4'-[2-(4-tert-butylphenyl)prop-1-ene-1,1-diyl]diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.15 Å R-free 0.233 |
| 5DKS Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 2-naphthylamino-substituted, ethyl, triaryl-ethylene derivative 4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol Deposited 2015-09-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5C6 4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.60 Å R-free 0.260 |
| 5DL4 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a phenylamino-substituted, methyl, triaryl-ethylene derivative 4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol Deposited 2015-09-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5C4 4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.10 Å R-free 0.214 |
| 5DLR Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a triaryl-ethylene compound 4,4'-(2-phenylethene-1,1-diyl)diphenol Deposited 2015-09-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5DJ 4,4'-(2-phenylethene-1,1-diyl)diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.26 Å R-free 0.232 |
| 5DMC Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a nitrile-substituted triaryl-ethylene derivative 3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile Deposited 2015-09-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5DH 3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.40 Å R-free 0.246 |
| 5DMF Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 4-fluorophenylamino-substituted, methyl triaryl-ethylene derivative 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol Deposited 2015-09-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5DG 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.40 Å R-free 0.254 |
| 5DRM Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dichloro-substituted, 2,5-diarylthiophene-core ligand 4,4'-thiene-2,5-diylbis(3-chlorophenol) Deposited 2015-09-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Chain D
686–699（14 aa）
|
Not recorded | 5ET 4,4'-thiene-2,5-diylbis(3-chlorophenol) × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.24 Å R-free 0.215 |
| 5DTV Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dimethyl-substituted, 3,4-diarylthiophene dioxide core ligand Deposited 2015-09-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Chain D
686–699（14 aa）
|
Not recorded | 5FS 3,4-bis(4-hydroxy-2-methylphenyl)-1H-1lambda~6~-thiophene-1,1-dione × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.29 Å R-free 0.247 |
| 5DU5 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dichloro-substituted, 3,4-diarylthiophene dioxide core ligand Deposited 2015-09-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Chain D
686–699（14 aa）
|
Not recorded | 5G2 3,4-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~6~-thiophene-1,1-dione × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.19 Å R-free 0.250 |
| 5DUE Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a para-Hydroxyl-substituted, Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-2 Analog 4-hydroxyphenyl (1S,2S,4S,5S,6R,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]heptane-2-sulfonate 7-oxide Deposited 2015-09-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5FY 4-hydroxyphenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.09 Å R-free 0.238 |
| 5DUG Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-2 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide Deposited 2015-09-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5FV phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.25 Å R-free 0.233 |
| 5DUH Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-3 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide Deposited 2015-09-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5FT phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.24 Å R-free 0.239 |
| 5DVS Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a 2-Methyl-substituted Triaryl-imine 4,4'-[(2-methylphenyl)carbonimidoyl]diphenol Deposited 2015-09-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5G7 4,4'-[(2-methylphenyl)carbonimidoyl]diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.28 Å R-free 0.263 |
| 5DVV Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Triaryl-imine analog 4,4'-(phenylcarbonimidoyl)diphenol Deposited 2015-09-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5G6 4,4'-(phenylcarbonimidoyl)diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.50 Å R-free 0.258 |
| 5DWE Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a 2-Chloro-substituted Triaryl-imine analog 4,4'-[(2-chlorophenyl)carbonimidoyl]diphenol Deposited 2015-09-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5G5 4,4'-[(2-chlorophenyl)carbonimidoyl]diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 1.92 Å R-free 0.238 |
| 5DWG Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Triaryl-substituted Imine Analog, 4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol Deposited 2015-09-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5G4 4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.30 Å R-free 0.254 |
| 5DWI Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Resorcinyl 2-Chloro-substituted Diaryl-imine analog 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol Deposited 2015-09-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5G3 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.43 Å R-free 0.231 |
| 5DWJ Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Resorcinyl 4-Fluoro-substituted Diaryl-imine analog 4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol Deposited 2015-09-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5J2 4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.00 Å R-free 0.232 |
| 5DX3 Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-P3 and Estradiol Deposited 2015-09-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
687–697（11 aa）
Chain D
687–697（11 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | EST ESTRADIOL × 2 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；15% PEG 3,350, 200 mM MgCl2, 100 mM Tris pH 8.0
|
Resolution 2.09 Å R-free 0.257 |
| 5DXB Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-P1 and Estradiol Deposited 2015-09-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain D
687–697（11 aa）
Chain E
687–697（11 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | EST ESTRADIOL × 2 GOL GLYCEROL × 2 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；20% PEG 3,350, 200 mM MgCl2, 100 mM Tris pH 8.0
|
Resolution 2.08 Å R-free 0.210 |
| 5DXE Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-P4 and Estradiol Deposited 2015-09-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
687–697（11 aa）
Chain D
687–697（11 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | EST ESTRADIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；20% PEG 3,350, 200 mM MgCl2, 100 mM Tris pH 8.0
|
Resolution 1.50 Å R-free 0.201 |
| 5DXK Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol Deposited 2015-09-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5J1 4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.23 Å R-free 0.226 |
| 5DXM Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol Deposited 2015-09-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5J0 3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.37 Å R-free 0.232 |
| 5DXP Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol Deposited 2015-09-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5HX 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.20 Å R-free 0.235 |
| 5DXQ Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol Deposited 2015-09-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5HZ 4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.40 Å R-free 0.239 |
| 5DXR Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3R)-3-methylcyclohexylidene]methanediyl}diphenol Deposited 2015-09-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5HW 4,4'-{[(3R)-3-methylcyclohexylidene]methanediyl}diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.28 Å R-free 0.235 |
| 5DY8 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-ethylcyclohexylidene]methanediyl}diphenol Deposited 2015-09-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5K4 4,4'-{[(3S)-3-ethylcyclohexylidene]methanediyl}diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.03 Å R-free 0.243 |
| 5DYB Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol Deposited 2015-09-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5K2 4,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.27 Å R-free 0.238 |
| 5DZ1 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol Deposited 2015-09-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5JY 4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.20 Å R-free 0.239 |
| 5DZ3 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[4-(fluoromethyl)cyclohexylidene]methanediyl}diphenol Deposited 2015-09-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5JX 4,4'-{[4-(fluoromethyl)cyclohexylidene]methanediyl}diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.15 Å R-free 0.234 |
| 5DZH Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol Deposited 2015-09-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5KG 4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.11 Å R-free 0.220 |
| 5DZI Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol Deposited 2015-09-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5KF 4,4'-{[(3S)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 1.90 Å R-free 0.214 |
| 5E0W Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol Deposited 2015-09-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5KE 4,4'-{[(3S)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.00 Å R-free 0.226 |
| 5E0X Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol Deposited 2015-09-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5KD 4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.01 Å R-free 0.237 |
| 5E14 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol Deposited 2015-09-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5KB 4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.22 Å R-free 0.255 |
| 5E19 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate Deposited 2015-09-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5K7 methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.24 Å R-free 0.233 |
| 5E1C Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate Deposited 2015-09-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–699（14 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 5K8 dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 1.98 Å R-free 0.214 |
| 5G3J Discovery of New Selective Glucocorticoid Receptor Agonist Leads Deposited 2016-04-27 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
740–753（14 aa）
Fragment：RESIDUES 740-753
|
Not recorded | CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 1 EDO 1,2-ETHANEDIOL × 1 E7T 5-[[(1S,2R,4R)-4-ethyl-6,7-bis(fluoranyl)-2,5-bis(oxidanyl)-2-(trifluoromethyl)-3,4-dihydro-1H-naphthalen-1-yl]amino]-1H-quinolin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；8% PEG8000, 15% ETHYLENE GLYCOL AND 0.1 M HEPES PH 7.5
|
Resolution 2.40 Å R-free 0.235 |
| 5G5W Structure guided design and discovery of Indazole ethers as highly potent, non-steroidal Glucocorticoid receptor modulators Deposited 2016-06-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
740–753（14 aa）
Fragment：RESIDUES 740-753
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 R8C 2,2,2-trifluoro-N-[(1R,2S)-1-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；12% PEG8000, 20% ETHYLENE GLYCOL AND 0.1 M HEPES PH 7.5
|
Resolution 2.20 Å R-free 0.210 |
| 5H1E Interaction between vitamin D receptor and coactivator peptide SRC2-3 Deposited 2016-10-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
740–752（13 aa）
Fragment：UNP RESIDUES 740-752
|
Not recorded | VDX 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；MOP-Na, Na-Formate, PEG 4000, Ethleneglycol
|
Resolution 2.60 Å R-free 0.248 |
| 5I4V Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists Deposited 2016-02-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
687–699（13 aa）
Chain B
687–699（13 aa）
|
Mutation：Q259A, R261G, D262S, R264S,Q259A, R261G, D262S, R264S,Q259A, R261G, D262S, R264S,Q259A, R261G, D262S, R264S | 67S {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1uL of scLXRbeta-LBD/scRXRbeta-LBD @ 10 mg protein/ml in 20 mM Tris-HCl pH 8.0, 150 mM NaCl, 5 mM DTT containing 1mM ligand and less than 2%(v/v) DMSO was mixed with 1uL of reservoir solution (0.2M LiCl, 16-20%(w/v) PEG3350, 7-10%(v/v) ethylene glycol, 0.01M Strontium chloride) on a circular, silanized glass cover slide and inverted and sealed with silicon grease over a well of 200uL of reservoir solution. Crystallization plates were incubated at 23 deg C for 2-5 days before rods would appear measuring 50 to 100um long.
|
Resolution 2.61 Å R-free 0.248 |
| 5I4V Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists Deposited 2016-02-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
687–699（13 aa）
Chain F
687–699（13 aa）
|
Mutation：Q259A, R261G, D262S, R264S,Q259A, R261G, D262S, R264S,Q259A, R261G, D262S, R264S,Q259A, R261G, D262S, R264S | 67S {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1uL of scLXRbeta-LBD/scRXRbeta-LBD @ 10 mg protein/ml in 20 mM Tris-HCl pH 8.0, 150 mM NaCl, 5 mM DTT containing 1mM ligand and less than 2%(v/v) DMSO was mixed with 1uL of reservoir solution (0.2M LiCl, 16-20%(w/v) PEG3350, 7-10%(v/v) ethylene glycol, 0.01M Strontium chloride) on a circular, silanized glass cover slide and inverted and sealed with silicon grease over a well of 200uL of reservoir solution. Crystallization plates were incubated at 23 deg C for 2-5 days before rods would appear measuring 50 to 100um long.
|
Resolution 2.61 Å R-free 0.248 |
| 5ICK A unique binding model of FXR LBD with feroline Deposited 2016-02-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
742–752（11 aa）
Fragment：UNP residues 742-752
|
Not recorded | FEZ (1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293.15 K；20% polyethylene glycol 3350 and 0.2 M ammonia acetate
|
Resolution 2.47 Å R-free 0.277 |
| 5ICK A unique binding model of FXR LBD with feroline Deposited 2016-02-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
742–752（11 aa）
Fragment：UNP residues 742-752
|
Not recorded | FEZ (1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293.15 K；20% polyethylene glycol 3350 and 0.2 M ammonia acetate
|
Resolution 2.47 Å R-free 0.277 |
| 5KCE Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl, 2-chlorobenzyl OBHS-N derivative Deposited 2016-06-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
|
Not recorded | OB3 (1S,2R,4S)-N-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 1.85 Å R-free 0.250 |
| 5MK4 Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 7 and a fragment of the TIF2 co-activator. Deposited 2016-12-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–696（11 aa）
Fragment：UNP residues 686-696
Chain D
686–696（11 aa）
Fragment：UNP residues 686-696
|
Not recorded | I5W (~{E})-3-[3-(2-methyl-5-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid × 2 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；0.1M PIPES, pH 7.0, 0.1M NaCl, 22% PEG 2K MME
|
Resolution 2.00 Å R-free 0.229 |
| 5NFP Glucocorticoid Receptor in complex with budesonide Deposited 2017-03-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
740–753（14 aa）
|
Not recorded | CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 1 EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 1 8W5 (1~{S},2~{S},4~{R},6~{R},8~{S},9~{S},11~{S},12~{S},13~{R})-9,13-dimethyl-11-oxidanyl-8-(2-oxidanylethanoyl)-6-propyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；2 ul of protein, 0.2ul of Polypropylene Glycol 400 and 0.8ul of well solution (10-12% PEG8000, 20% ethylene glycol and 0.1 M Hepes pH 7.5).
|
Resolution 2.10 Å R-free 0.202 |
| 5NFT Glucocorticoid Receptor in complex with AZD5423 Deposited 2017-03-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
740–753（14 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 3 8W8 2,2,2-tris(fluoranyl)-~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]ethanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；2 ul of protein and 1ul of well solution (8-12% PEG8000, 10-20% ethylene glycol and 0.1 M Hepes pH 7.5)
|
Resolution 2.30 Å R-free 0.215 |
| 5SYZ Human Liver Receptor Homologue-1 (LRH-1) Bound to a RJW100 stereoisomer and a Fragment of TIF-2 Deposited 2016-08-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
740–754（15 aa）
Fragment：UNP Rresidues 740-754
|
Not recorded | 71W (1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；Sodium acetate, PEG4000, glycerol
|
Resolution 1.93 Å R-free 0.228 |
| 5T1Z Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Ethoxytriphenylethylene and GRIP Peptide Deposited 2016-08-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Chain D
686–698（13 aa）
|
Not recorded | Q97 4,4'-[(1Z)-1-(4-ethoxyphenyl)but-1-ene-1,2-diyl]diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；293 K；0.15 M KBr, 30% w/v MPEG 2,000, 100 mM Tris pH 8.3
|
Resolution 2.10 Å R-free 0.246 |
| 5TLV Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-(thiophene-2,3-diyl)bis(3-fluorophenol) Deposited 2016-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
|
Not recorded | 7ES 4,4'-(thiene-2,3-diyl)bis(3-fluorophenol) × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.32 Å R-free 0.236 |
| 5TLX Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 3,4-bis(4-hydroxyphenyl)thiophene 1,1-dioxide Deposited 2016-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
|
Not recorded | 7EH 3-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-amine × 2 7G5 3,4-bis(4-hydroxyphenyl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.10 Å R-free 0.226 |
| 5TLY Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 3,4-bis(2-fluoro-4-hydroxyphenyl)thiophene 1,1-dioxide Deposited 2016-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
|
Not recorded | 7ER 3,4-bis(2-fluoro-4-hydroxyphenyl)-1H-1lambda~6~-thiophene-1,1-dione × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.14 Å R-free 0.221 |
| 5TM1 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,5-bis(2-fluoro-4-hydroxyphenyl)thiophene 1-oxide Deposited 2016-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
|
Not recorded | 7EQ 2,5-bis(2-fluoro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.23 Å R-free 0.236 |
| 5TM2 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,5-bis(2-chloro-4-hydroxyphenyl)thiophene 1-oxide Deposited 2016-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
|
Not recorded | 7EO 2,5-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.60 Å R-free 0.244 |
| 5TM3 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,3-bis(2-chloro-4-hydroxyphenyl)thiophene 1-oxide Deposited 2016-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
|
Not recorded | 7EN (1S)-2,3-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.19 Å R-free 0.234 |
| 5TM4 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC Analog, 5-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)pentanoic acid Deposited 2016-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
|
Not recorded | 7E3 5-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.25 Å R-free 0.236 |
| 5TM5 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 5-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)pentanoic acid Deposited 2016-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
|
Not recorded | 7EV 5-{4-[(1S,4S,5R)-5-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.24 Å R-free 0.232 |
| 5TM6 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 6-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)hexanoic acid Deposited 2016-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | 7J9 6-{4-[(1S,4S,6R)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}hexanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.54 Å R-free 0.245 |
| 5TM7 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 7-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)heptanoic acid Deposited 2016-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
|
Not recorded | 7JY 7-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.40 Å R-free 0.231 |
| 5TM8 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 7-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)heptanoic acid Deposited 2016-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
|
Not recorded | 7K6 7-{4-[(1S,4S,6R)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 1.99 Å R-free 0.222 |
| 5TM9 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC Analog, (E)-3-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)acrylic acid Deposited 2016-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
|
Not recorded | 7KL 3-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}prop-2-enoic acid × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.50 Å R-free 0.237 |
| 5TML Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, (E)-6-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid Deposited 2016-10-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
|
Not recorded | 7E1 6-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.25 Å R-free 0.233 |
| 5TMM Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC analog, (E)-6-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid Deposited 2016-10-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
|
Not recorded | 7M4 6-{4-[(1S,4S,6S)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.20 Å R-free 0.251 |
| 5TMO Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Arene Core OBHS derivative, phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate Deposited 2016-10-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
|
Not recorded | 7M1 phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.17 Å R-free 0.233 |
| 5TMQ Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Arene Core OBHS derivative, 4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate Deposited 2016-10-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
|
Not recorded | 7M7 4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.24 Å R-free 0.242 |
| 5TMR Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Cyclofenil-ASC derivative, ethyl (E)-3-(4-(cyclohexylidene(4-hydroxyphenyl)methyl)phenyl)acrylate Deposited 2016-10-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
|
Not recorded | 7FD ethyl 3-{4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenyl}prop-2-enoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.30 Å R-free 0.238 |
| 5TMS Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Cyclofenil-ASC derivative, ethyl (E)-3-(4-(bicyclo[3.3.1]nonan-9-ylidene(4-hydroxyphenyl)methyl)phenyl)acrylate Deposited 2016-10-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
|
Not recorded | 7FG ethyl 3-(4-{[(1s,5s)-bicyclo[3.3.1]nonan-9-ylidene](4-hydroxyphenyl)methyl}phenyl)prop-2-enoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.24 Å R-free 0.241 |
| 5TMT Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-((1,3-dihydro-2H-inden-2-ylidene)methylene)diphenol Deposited 2016-10-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
|
Not recorded | 7FJ 4,4'-[(1,3-dihydro-2H-inden-2-ylidene)methylene]diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.05 Å R-free 0.247 |
| 5TMU Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-(cycloheptylidenemethylene)diphenol Deposited 2016-10-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
|
Not recorded | 7FL 4,4'-(cycloheptylidenemethylene)diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.43 Å R-free 0.237 |
| 5TMV Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS analog, 4-iodophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate Deposited 2016-10-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
|
Not recorded | 7FO 4-iodophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.38 Å R-free 0.252 |
| 5TMW Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS derivative, 4-acetamidophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate Deposited 2016-10-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
|
Not recorded | 7FP 4-(acetylamino)phenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.29 Å R-free 0.245 |
| 5TMZ Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S,17S)-16-(3-methoxybenzyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Deposited 2016-10-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
|
Not recorded | 7FQ (9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.21 Å R-free 0.242 |
| 5TN1 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S,E)-17-((4-isopropylphenyl)imino)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol Deposited 2016-10-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
|
Not recorded | 7FR (9beta,13alpha,17Z)-17-{[4-(propan-2-yl)phenyl]imino}estra-1,3,5(10)-trien-3-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.06 Å R-free 0.215 |
| 5TN3 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S)-17-((4-isopropylphenyl)amino)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol Deposited 2016-10-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
|
Not recorded | 7FS (9beta,13alpha,17beta)-17-{[4-(propan-2-yl)phenyl]amino}estra-1(10),2,4-trien-3-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.54 Å R-free 0.256 |
| 5TN4 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the ACD-ring estrogen, (S)-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol Deposited 2016-10-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
|
Not recorded | 7FZ (1S)-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 1.86 Å R-free 0.218 |
| 5TN5 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the AC-ring estrogen, (1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol Deposited 2016-10-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
|
Not recorded | 7G0 (1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 1.89 Å R-free 0.233 |
| 5TN6 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Spiro BC-estradiol, (1S,1'S,3a'S,7a'S)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol Deposited 2016-10-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
|
Not recorded | 7G1 (1S,1'S,3a'S,7a'S)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.09 Å R-free 0.225 |
| 5TN7 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-3'-fluoro-4'-hydroxy-3-((hydroxyiminio)methyl)-[1,1'-biphenyl]-4-olate Deposited 2016-10-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
|
Not recorded | 7G2 3-fluoro-3'-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.24 Å R-free 0.235 |
| 5TN8 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-4'-hydroxy-3-((hydroxyiminio)methyl)-[1,1'-biphenyl]-4-olate Deposited 2016-10-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
|
Not recorded | 7G3 3-[(Z)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 2.65 Å R-free 0.259 |
| 5U2D Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Oxabicyclic Heptene Sulfonate (OBHS) Deposited 2016-11-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide
Chain D
686–698（13 aa）
Fragment：Nuclear receptor-interacting peptide
|
Not recorded | OBH cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
|
Resolution 1.86 Å R-free 0.215 |
| 5WZX Structural basis for a pentacyclic oleanane-type triterpenoid as a ligand of FXR Deposited 2017-01-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
741–752（12 aa）
|
Not recorded | 7VX (4aR,6aR,6aS,6bS,8aS,9R,12aR,14bR)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanylidene-1,3,4,5,6,6a,7,8,8a,9,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid × 1 BU3 (R,R)-2,3-BUTANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293.15 K；0.1 M HEPES, 10% w/v Polyethylene glycol 6000, 5% v/v (+/-)-2-Methyl-2,4-pentanediol
|
Resolution 2.95 Å R-free 0.263 |
| 5WZX Structural basis for a pentacyclic oleanane-type triterpenoid as a ligand of FXR Deposited 2017-01-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
741–752（12 aa）
|
Not recorded | 7VX (4aR,6aR,6aS,6bS,8aS,9R,12aR,14bR)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanylidene-1,3,4,5,6,6a,7,8,8a,9,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293.15 K；0.1 M HEPES, 10% w/v Polyethylene glycol 6000, 5% v/v (+/-)-2-Methyl-2,4-pentanediol
|
Resolution 2.95 Å R-free 0.263 |
| 5XPL Crystal structure of VDR-LBD complexed with 22S-butyl-25-hydroxyphenyl-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3 Deposited 2017-06-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
740–752（13 aa）
Fragment：UNP residues 740-752
|
Not recorded | 8C9 (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl )cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；MOPS-Na, Na-Formate, PEG 4000, Ethylenglycol
|
Resolution 2.05 Å R-free 0.242 |
| 5Y1J Crystal structure of human FXR in complex with a functional drug ligand Deposited 2017-07-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain U
742–751（10 aa）
|
Not recorded | D5H 2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293.15 K；0.1M MgSO4, 25% w/v polyethylene glycol 8000
|
Resolution 2.00 Å R-free 0.238 |
| 5Y49 A moderator XD22 binding to bile acid receptor Deposited 2017-08-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
741–751（11 aa）
|
Not recorded | XD5 [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293.15 K；0.1M Magnesium sulfate, 12% w/v polyethylene glycol 8000
|
Resolution 2.40 Å R-free 0.253 |
| 5Y49 A moderator XD22 binding to bile acid receptor Deposited 2017-08-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
741–751（11 aa）
|
Not recorded | XD5 [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293.15 K；0.1M Magnesium sulfate, 12% w/v polyethylene glycol 8000
|
Resolution 2.40 Å R-free 0.253 |
| 6EL6 Glucocorticoid Receptor in complex with compound 4 Deposited 2017-09-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
740–753（14 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 B9Q ~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxypyridin-3-yl)propan-2-yl]cyclopropanecarboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；8-10% PEG8000, 10-19% Ethylene Glycol, 0.1 M HEPES pH 7.5
|
Resolution 2.40 Å R-free 0.283 |
| 6EL7 Glucocorticoid Receptor in complex with compound 31 Deposited 2017-09-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
740–753（14 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 B9T ~{N}-[(1~{R},2~{S})-1-(2-bromanyl-4-cyano-phenoxy)-1-(2-cyclopropylpyrimidin-5-yl)propan-2-yl]-2,2-bis(fluoranyl)propanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；8-10% PEG8000, 10-19% Ethylene Glycol, 0.1 M HEPES pH 7.5
|
Resolution 2.18 Å R-free 0.225 |
| 6EL9 Glucocorticoid Receptor in complex with AZD9567 Deposited 2017-09-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
740–753（14 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 B9W 2,2-bis(fluoranyl)-~{N}-[(1~{R},2~{S})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-pyridin-3-yl)indazol-5-yl]oxy-1-phenyl-butan-2-yl]propanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；8-10% PEG8000, 10-19% Ethylene Glycol, 0.1 M HEPES pH 7.5
|
Resolution 2.19 Å R-free 0.224 |
| 6KNU THRb mutation with a novel agonist Deposited 2019-08-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
741–751（11 aa）
|
Not recorded | 8HO 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1M Sodium acetate trihydrate pH 4.6, 2.0M Sodium formate
|
Resolution 2.70 Å R-free 0.231 |
| 6KNV THRb mutation with a novel agonist Deposited 2019-08-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
741–751（11 aa）
|
Not recorded | 8HO 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；2% v/v Tacsimate pH 5.0, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 16% w/v Polyethylene glycol 3,350
|
Resolution 2.80 Å R-free 0.265 |
| 6KNW THRb mutation with a novel agonist Deposited 2019-08-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
741–751（11 aa）
|
Not recorded | 8HO 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；100mM Nacl 20% PEG 4000
|
Resolution 2.67 Å R-free 0.244 |
| 6LB4 Crystal structure of dimeric RXR-LBD complexed with NEt-3ME and TIF2 co-activator Deposited 2019-11-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | E8L 6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid × 2 EDO 1,2-ETHANEDIOL × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Sodium Acetate
18 % PEG3350
0.1 M Spermine tetrahydrochroride
|
Resolution 1.50 Å R-free 0.201 |
| 6LB5 Crystal structure of dimeric RXR-LBD complexed with full agonist NEt-3IB and TIF2 co-activator Deposited 2019-11-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Chain D
686–698（13 aa）
|
Not recorded | E80 6-[ethyl-[3-(2-methylpropoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M Imidazole
20 % PEG 6000
|
Resolution 2.40 Å R-free 0.240 |
| 6LB6 Crystal structure of dimeric RXR-LBD complexed with partial agonist NEt-4IB and TIF2 co-activator Deposited 2019-11-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | E8O 6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M Imidazole
20 % PEG6000
|
Resolution 2.40 Å R-free 0.257 |
| 6LIT Estrogen-related receptor beta(ERR2) in complex with BPA Deposited 2019-12-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain D
686–696（11 aa）
Chain E
686–696（11 aa）
|
Not recorded | 2OH 4,4'-PROPANE-2,2-DIYLDIPHENOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；300mM NH4Cl, 10% PEG 4000
|
Resolution 2.00 Å R-free 0.238 |
| 6OQX Human Liver Receptor Homolog-1 bound to the agonist 5N and a fragment of the Tif2 coregulator Deposited 2019-04-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
740–754（15 aa）
Fragment：UNP Residues 740-754
|
Not recorded | N1V (8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；Sodium acetate (pH 4.6), PEG4000, glycerol
|
Resolution 2.00 Å R-free 0.245 |
| 6OQY Human LRH-1 bound to the agonist 6N and a fragment of the Tif2 coregulator Deposited 2019-04-29 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
740–754（15 aa）
|
Mutation：UNP Residues 740-754 | N2J N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；Sodium acetate (pH 4.6), PEG4000, glycerol
|
Resolution 2.23 Å R-free 0.269 |
| 6OR1 Human LRH-1 bound to the agonist 2N and a fragment of the Tif2 coregulator Deposited 2019-04-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
740–754（15 aa）
Fragment：UNP Residues 740-754
|
Not recorded | N27 N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.05M sodium acetate (pH 4.6), 5-11% PEG4000, 0-10% glycerol. Microseeding with LRH-1-RJW100 crystals.
|
Resolution 2.17 Å R-free 0.239 |
| 6SJM Crystal structure of the Retinoic Acid Receptor alpha in complex with compound 24 (JP175) Deposited 2019-08-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–699（14 aa）
|
Not recorded | LFZ 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；21% PEG 4000, 0.2 M ammonium acetate and 0.1 M tris, pH 7.5
|
Resolution 2.52 Å R-free 0.247 |
| 6STI Crystal structure of RXRalpha LBD in complex with LG 100754 and a coactivator peptide Deposited 2019-09-10 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | 754 (2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid × 2 ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；17.5% PEG3350, 0.7 M CH3COONH4, 30 mM CH3COONa pH4.6
|
Resolution 1.89 Å R-free 0.172 |
| 6VC2 LRH-1 bound to SS-RJW100 and a fragment of the Tif2 Coactivator Deposited 2019-12-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
740–754（15 aa）
|
Not recorded | QU7 (1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；Sodium acetate, PEG 4000, glycerol
|
Resolution 1.70 Å R-free 0.228 |
| 6VIF Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2 Deposited 2020-01-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
740–753（14 aa）
|
Not recorded | QY4 N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291.15 K；Na acetate (pH 4.6), PEG 4000, glycerol
|
Resolution 2.26 Å R-free 0.284 |
| 7A77 Crystal structure of RXR alpha LBD in complexes with palmitic acid and GRIP-1 peptide Deposited 2020-08-27 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–699（14 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 8 PLM PALMITIC ACID × 2 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293.15 K；17% PEG 3350, 0.2M ammonium actetate, 0.1M tris, pH 8.0
|
Resolution 1.50 Å R-free 0.180 |
| 7A78 Crystal structure of RXR beta LBD in complexes with palmitic acid and GRIP-1 peptide Deposited 2020-08-27 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–699（14 aa）
|
Not recorded | PLM PALMITIC ACID × 2 CL CHLORIDE ION × 2 EDO 1,2-ETHANEDIOL × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；16% low molecular weight PEG smears, 0.1M HEPES, pH 7.5, 5% ethylene glycol, 0.1M KCl
|
Resolution 1.72 Å R-free 0.204 |
| 7A79 Crystal structure of RXR gamma LBD in complexes with palmitic acid and GRIP-1 peptide Deposited 2020-08-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Chain D
686–699（14 aa）
|
Not recorded | PLM PALMITIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293.15 K；17% PEG 3350, 0.1M potassium citrate
|
Resolution 2.05 Å R-free 0.248 |
| 7B88 Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S99 inhibitor Deposited 2020-12-12 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–699（14 aa）
|
Not recorded | T2K 3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；21% PEG 3350, 0.1 M Ammomium Acetate, 0.1 M tris 7.5
|
Resolution 2.38 Å R-free 0.259 |
| 7B9O Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S169 inhibitor Deposited 2020-12-14 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
|
Not recorded | T72 3-(5-(3,5-bis(trifluoromethyl)phenyl)-4-phenyloxazol-2-yl)propanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；24% PEG 4000
0.2M Ammonium acetate
0.1M Tris pH7.5
|
Resolution 2.05 Å R-free 0.236 |
| 7D42 Structural basis of tropifexor as a potent and selective agonist for farnesoid X receptor Deposited 2020-09-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
740–753（14 aa）
|
Not recorded | GWF Tropifexor × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；100mM Sodium acetate pH 4.7, 2.3-2.6M Sodium formate
|
Resolution 2.70 Å R-free 0.269 |
| 7JHD Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with TTC-352 and GRIP Peptide Deposited 2020-07-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Chain D
686–698（13 aa）
|
Not recorded | V9J 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298.15 K；PEG 3350, MgCl2, Tris HCl
|
Resolution 2.40 Å R-free 0.265 |
| 7JYD Human Liver Receptor Homolog-1 in Complex with 10CA and a Fragment of Tif2 Deposited 2020-08-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
740–751（12 aa）
Fragment：residues 740-751
|
Not recorded | VQA 10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；0.4 M sodium/potassium tartrate
|
Resolution 2.30 Å R-free 0.227 |
| 7JYE Human Liver Receptor Homolog-1 in Complex with 9ChoP and a Fragment of Tif2 Deposited 2020-08-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
740–751（12 aa）
Fragment：residues 740-751
|
Not recorded | VQY 9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.6；277 K；9-19% tert-butanol, 0-6 % glycerol, 0.1 M tri-sodium citrate pH 4.6
|
Resolution 2.55 Å R-free 0.187 |
| 7NEL ER-PRS*(+) (Y537S) in complex with estradiol and SRC-2 coactivator peptide Deposited 2021-02-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Chain D
686–699（14 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | EST ESTRADIOL × 2 EDO 1,2-ETHANEDIOL × 14 GOL GLYCEROL × 5 NA SODIUM ION × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；292 K；200 mM NaCl, 100 mM Tris pH 8.5 and 25% polyethylene glycol 3,350
|
Resolution 1.45 Å R-free 0.186 |
| 7NFB ER-PRS*(+) (Y537S) in complex with genistein and SRC-2 coactivator peptide Deposited 2021-02-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–699（14 aa）
Chain D
686–699（14 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | GEN GENISTEIN × 2 NA SODIUM ION × 3 EDO 1,2-ETHANEDIOL × 16 CL CHLORIDE ION × 3 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；292 K；200 mM NaCl, 100 mM Tris pH 8.5 and 25% polyethylene glycol 3,350
|
Resolution 1.33 Å R-free 0.178 |
| 7NKE Crystal structure of human RXRalpha ligand binding domain in complex with 2,4-di-tert-butylphenol and a coactivator fragment Deposited 2021-02-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Chain D
686–698（13 aa）
|
Not recorded | UGW 2,4-di~{tert}-butylphenol × 2 FMT FORMIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；20% PEG 3350
0.2 M sodium formate
|
Resolution 2.35 Å R-free 0.246 |
| 7OFI Ligand complex of RORg LBD Deposited 2021-05-05 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
684–698（15 aa）
|
Not recorded | VCK (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide × 1 NA SODIUM ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；soaking
|
Resolution 1.95 Å R-free 0.227 |
| 7OFK Ligand complex of RORg LBD Deposited 2021-05-05 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
684–698（15 aa）
|
Not recorded | VCH (1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide × 1 DMS DIMETHYL SULFOXIDE × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；soaking
|
Resolution 1.61 Å R-free 0.230 |
| 7PDQ Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with LG100268 and a coactivator fragment Deposited 2021-08-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | LG2 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；26% PEG3350, 0.2M NaF
|
Resolution 1.58 Å R-free 0.195 |
| 7PDT Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with BMS649 and a coactivator fragment Deposited 2021-08-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain U
686–698（13 aa）
Chain V
686–698（13 aa）
|
Not recorded | BM6 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；18% PEG3350, 0.2M Na Nitrate, 0.1M BisTris propane pH6.5
|
Resolution 3.30 Å R-free 0.207 |
| 7T2X Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 2-chloro-4-((4-hydroxybenzyl)amino)-5-phenylthieno[2,3-d]pyrimidin-6-ol and GRIP Peptide Deposited 2021-12-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
686–698（13 aa）
|
Not recorded | EMY S-(2-chloro-6-{[(4-hydroxyphenyl)methyl]amino}pyrimidin-4-yl) phenylethanethioate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, MgCl2, HEPES pH 8
|
Resolution 2.60 Å R-free 0.277 |
| 7T2X Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 2-chloro-4-((4-hydroxybenzyl)amino)-5-phenylthieno[2,3-d]pyrimidin-6-ol and GRIP Peptide Deposited 2021-12-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
686–698（13 aa）
|
Not recorded | EMY S-(2-chloro-6-{[(4-hydroxyphenyl)methyl]amino}pyrimidin-4-yl) phenylethanethioate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, MgCl2, HEPES pH 8
|
Resolution 2.60 Å R-free 0.277 |
| 7TT8 Human LRH-1 LBD bound to agonist 6N-10CA and fragment of Tif2 coactivator Deposited 2022-01-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
740–753（14 aa）
|
Not recorded | IUW 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name) × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277.15 K；tri-Na citrate (4.6), tert-butanol, glycerol
|
Resolution 2.80 Å R-free 0.276 |
| 7UW2 Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB116 and coactivator peptide GRIP-1 Deposited 2022-05-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
686–698（13 aa）
|
Not recorded | OI2 (2E,4E,6Z,8E)-8-{3-[(2S)-butan-2-yl]-2-(3-methylbutyl)cyclohex-2-en-1-ylidene}-3,7-dimethylocta-2,4,6-trienoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；100 mM Bis-Tris, pH 7.0, 8% PEG4000, 25% ethylene glycol. The drop contained 2 ul protein + 1 ul well solution
|
Resolution 1.88 Å R-free 0.218 |
| 7UW4 Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB113 and coactivator peptide GRIP-1 Deposited 2022-05-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
686–698（13 aa）
|
Not recorded | OI5 (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-propylcyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；100 mM Bis-Tris, pH 7.0, 7% PEG4000, 5% ethylene glycol
|
Resolution 2.10 Å R-free 0.243 |
| 7VUE Structural insight of the molecular mechanism of cilofexor bound to FXR Deposited 2021-11-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
740–753（14 aa）
|
Not recorded | 811 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；100mM sodium acetate pH 4.7, and 2.4-2.6M sodium formate
|
Resolution 2.60 Å R-free 0.269 |
| 7W3P Crystal structure of RORgamma in complex with natural inverse agonist Deposited 2021-11-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
686–698（13 aa）
|
Not recorded | 88K (3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293.15 K；0.1M BIS-TRIS pH 5.5, 3.0M Sodium chloride
|
Resolution 1.77 Å R-free 0.234 |
| 7W3Q Crystal structure of RORgamma in complex with natural inverse agonist Deposited 2021-11-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
686–698（13 aa）
|
Not recorded | 97I (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293.15 K；0.2M Magnesium chloride hexahydrate, 0.1M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3350
|
Resolution 2.00 Å R-free 0.265 |
| 7WLX A novel chemical derivative(53) of THRB agonist Deposited 2022-01-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
741–751（11 aa）
|
Not recorded | 9GC 2-[[1-methoxy-4-oxidanyl-7-[4-(phenylmethyl)phenoxy]isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；2% v/v tacsimate pH 5.0, 0.1 M sodium citrate tribasic dihydrate pH 5.6 and 16% w/v polyethylene glycol 3,350.
|
Resolution 2.39 Å R-free 0.270 |
| 7WMG A novel chemical derivative(52) of THRB agonist Deposited 2022-01-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
741–751（11 aa）
|
Not recorded | 9IF 2-[[1-methoxy-4-oxidanyl-7-(4-phenoxyphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M sodium formate pH 7.0 and 20% w/v polyethylene glycol 3,350.
|
Resolution 2.93 Å R-free 0.298 |
| 7WMH A novel chemical derivative(56) of THRB agonist Deposited 2022-01-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
741–751（11 aa）
|
Not recorded | 9II 2-[[1-methoxy-4-oxidanyl-7-(4-phenylphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1M MgSO4 and 5% PEG 8000
|
Resolution 1.97 Å R-free 0.253 |
| 7WMJ A novel chemical derivative(71) of THRB agonist Deposited 2022-01-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
741–751（11 aa）
|
Not recorded | 9IL 2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；25% v/v ethylene glycol.
|
Resolution 2.81 Å R-free 0.274 |
| 7WML A novel chemical derivative(85) of THRB agonist Deposited 2022-01-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
741–751（11 aa）
|
Not recorded | 9IQ 2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M MgSO4 and 12% PEG 6000.
|
Resolution 2.67 Å R-free 0.245 |
| 7WMN A novel chemical derivative(89) of THRB agonist Deposited 2022-01-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
741–751（11 aa）
|
Not recorded | 9IT 2-[[7-[2,6-dimethyl-4-(3-methylphenyl)carbonyl-phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M MgSO4 and 12% PEG 6000.
|
Resolution 2.57 Å R-free 0.261 |
| 7WMO A novel chemical derivative(92) of THRB agonist Deposited 2022-01-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
741–751（11 aa）
|
Not recorded | 9IW 2-[[1-ethoxy-7-[4-(3-fluoranyl-5-methoxy-phenyl)carbonyl-2,6-dimethyl-phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M sodium malonate pH 6.0 and 20% w/v Polyethylene glycol 3,350
|
Resolution 2.56 Å R-free 0.241 |
| 8C1L Crystal structure of HNF4 alpha LBD in complexes with palmitic acid and GRIP-1 peptide Deposited 2022-12-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain D
687–695（9 aa）
Chain E
687–695（9 aa）
|
Not recorded | PLM PALMITIC ACID × 2 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；284 K；20% PEG3350 -- 10% ethylene glycol -- 0.1M bis-tris-propane pH 8.5 -- 0.2M sodium nitrate
|
Resolution 2.00 Å R-free 0.237 |
| 8DAF Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid Deposited 2022-06-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
740–753（14 aa）
|
Not recorded | IUW 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name) × 1 PEF DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277.15 K；Na acetate (pH 4.6), glycerol, PEG 4000
|
Resolution 2.59 Å R-free 0.281 |
| 8DAF Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid Deposited 2022-06-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
740–753（14 aa）
|
Not recorded | IUW 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name) × 1 PEF DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277.15 K；Na acetate (pH 4.6), glycerol, PEG 4000
|
Resolution 2.59 Å R-free 0.281 |
| 8EV1 Dual Modulators Deposited 2022-10-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
686–698（13 aa）
|
Not recorded | WVW (3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide × 1 WVR (3aR,4S,9bS)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 200 mM NaCl, 0.1 M Hepes pH 7
|
Resolution 1.83 Å R-free 0.224 |
| 8EV1 Dual Modulators Deposited 2022-10-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
686–698（13 aa）
|
Not recorded | WVW (3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 200 mM NaCl, 0.1 M Hepes pH 7
|
Resolution 1.83 Å R-free 0.224 |
| 8EV2 Dual Modulators Deposited 2022-10-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
686–698（13 aa）
|
Not recorded | LYQ (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide × 2 WVE (3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 200 mM NaCl, 0.1 M Hepes pH 7
|
Resolution 2.01 Å R-free 0.248 |
| 8EV2 Dual Modulators Deposited 2022-10-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
686–698（13 aa）
|
Not recorded | LYQ (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide × 2 WVE (3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 200 mM NaCl, 0.1 M Hepes pH 7
|
Resolution 2.01 Å R-free 0.248 |
| 8F8M LRH-1 bound to small molecule Tet and fragment of coactivator Tif2 Deposited 2022-11-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
740–753（14 aa）
|
Not recorded | XKE (1~{R},3~{a}~{R},6~{a}~{R})-4-phenyl-3~{a}-(1-phenylethenyl)-5-[9-(1~{H}-1,2,3,4-tetrazol-5-yl)nonyl]-2,3,6,6~{a}-tetrahydro-1~{H}-pentalen-1-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277.15 K；tri-Na citrate, tert-butanol, glycerol
|
Resolution 2.60 Å R-free 0.220 |
| 8GL7 AncAR1 - progesterone - Tif2 Deposited 2023-03-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
743–751（9 aa）
|
Not recorded | STR PROGESTERONE × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；20% PEG 4000, 0.1M Tris pH 8.9, 4% glycerol
|
Resolution 2.40 Å R-free 0.253 |
| 8P9X Vitamin D receptor complex with Xe4Me agonist ligand Deposited 2023-06-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
686–698（13 aa）
|
Not recorded | ACT ACETATE ION × 1 FO6 (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-(5-methyl-5-oxidanyl-hexa-1,3-diynyl)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M BTP pH 7.0, 3 M NaOAc
|
Resolution 2.15 Å R-free 0.241 |
| 8PP0 Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with JP147 Deposited 2023-07-05 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
686–699（14 aa）
|
Not recorded | 7QJ 3-[4-[2,3-dihydro-1H-inden-4-yl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]oxypropanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293.15 K；23% PEG 3350, 0.1 M Ammonium actetate, 0.1 M tris pH 7.5
|
Resolution 1.90 Å R-free 0.223 |
| 8PWD Crystal structure of VDR in complex Des-C-Ring and Aromatic-D-Ring analog 3c Deposited 2023-07-20 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | FT9 (1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)hept-3-ynyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；NH4SO4 1.5M, BisTris 0.1M pH 7
|
Resolution 2.80 Å R-free 0.274 |
| 8PWE Crystal structure of VDR complex with Novel Des-C-Ring and Aromatic-D-Ring analog 3a Deposited 2023-07-20 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | ACT ACETATE ION × 2 FUW (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-hept-3-ynyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；NaAcetate 2.5M, BisTris 0.1M pH 7
|
Resolution 2.00 Å R-free 0.233 |
| 8PWF crystal structure of VDR in complex with Des-C-Ring and Aromatic-D-Ring analog 2 Deposited 2023-07-20 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | FVB (1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)heptyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；LiSO4 1.6M, Hepes 0.1M pH 7.5
|
Resolution 2.30 Å R-free 0.265 |
| 8PWM Crystal structure of VDR in complex with Des-C-Ring and Aromatic-D-Ring analog 3b Deposited 2023-07-20 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | ACT ACETATE ION × 2 HXI (1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)hept-3-ynyl]phenyl]but-2-enylidene]cyclohexane-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；NaAcetate 2.5M, BisTris 0.1M pH 7
|
Resolution 2.30 Å R-free 0.252 |
| 8PZ6 crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 analog 56 Deposited 2023-07-27 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | IG5 (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-(3-oxidanylpropylidene)cyclohexane-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；NaAcetate 3M, Hepes 0.1M pH 7.5
|
Resolution 2.90 Å R-free 0.292 |
| 8PZ7 crystal structure of VDR complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 57 Deposited 2023-07-27 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | IG0 (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methyl-cyclohexane-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；NH4Acetate 3.5M, BisTrisPropane 0.1M pH 7
|
Resolution 2.93 Å R-free 0.257 |
| 8PZ8 crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 54 Deposited 2023-07-27 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | IFU (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]cyclohexane-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；(NH4)2SO4 1.5M
|
Resolution 2.64 Å R-free 0.261 |
| 8PZ9 Crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 55 Deposited 2023-07-27 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | IFK (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；NaAcetate 3M, Hepes 0.1M pH 7.5
|
Resolution 2.74 Å R-free 0.278 |
| 8PZB crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 49 Deposited 2023-07-27 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | I72 (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；(NH4)2SO4 1.6M, Mes 0.1M pH 6
|
Resolution 2.73 Å R-free 0.275 |
| 8VKZ Crystal structure of Glucocorticoid Receptor in complex with an inhibitor Deposited 2024-01-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain D
740–753（14 aa）
Chain E
740–753（14 aa）
|
Not recorded | A1ACE (4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；296 K；24% (w/v) PEG 400, 200 mM ammonium acetate, 100 mM sodium citrate pH 5.5
|
Resolution 2.13 Å R-free 0.245 |
| 9D8Q Crystal structure of Estrogen Receptor alpha from Melanotaenia fluviatilis bound to estradiol and human SRC2 peptide Deposited 2024-08-20 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | EST ESTRADIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；290 K；9-10% Tacsimate pH 7.0, 22% PEG3000
|
Resolution 2.75 Å R-free 0.261 |
| 9EBG Crystal structure of the hERalpha LBD complexed with androstenediol and SRC 2-2 peptide Deposited 2024-11-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
Chain D
686–698（13 aa）
|
Not recorded | B81 (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；289.15 K；.1 M PIPES pH 7, 7% w/v PEG 8000
|
Resolution 2.02 Å R-free 0.248 |
| 9EBL Crystal structure of the hERbeta LBD complexed with androstenediol and SRC 2-2 peptide (crystal form 1) Deposited 2024-11-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: octameric |
Chain C
686–698（13 aa）
Chain D
686–698（13 aa）
Chain G
686–698（13 aa）
Chain H
686–698（13 aa）
|
Not recorded | B81 (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；289.15 K；0.1 M sodium HEPES pH 7.5, 22% w/v PEG 5000 MME
|
Resolution 2.20 Å R-free 0.277 |
| 9ECF Crystal structure of the hERbeta LBD complexed with androstenediol and SRC 2-2 peptide (crystal form 2) Deposited 2024-11-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain G
686–698（13 aa）
Chain H
686–698（13 aa）
|
Not recorded | B81 (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；289.15 K；0.2 M ammonium acetate, 0.1 M Bis-Tris pH 5.5, 25% w/v PEG 3350
|
Resolution 2.00 Å R-free 0.278 |
| 9ECF Crystal structure of the hERbeta LBD complexed with androstenediol and SRC 2-2 peptide (crystal form 2) Deposited 2024-11-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
686–698（13 aa）
Chain D
686–698（13 aa）
|
Not recorded | B81 (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；289.15 K；0.2 M ammonium acetate, 0.1 M Bis-Tris pH 5.5, 25% w/v PEG 3350
|
Resolution 2.00 Å R-free 0.278 |
| 9ECF Crystal structure of the hERbeta LBD complexed with androstenediol and SRC 2-2 peptide (crystal form 2) Deposited 2024-11-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain K
686–698（13 aa）
Chain L
686–698（13 aa）
|
Not recorded | B81 (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；289.15 K；0.2 M ammonium acetate, 0.1 M Bis-Tris pH 5.5, 25% w/v PEG 3350
|
Resolution 2.00 Å R-free 0.278 |
| 9ECF Crystal structure of the hERbeta LBD complexed with androstenediol and SRC 2-2 peptide (crystal form 2) Deposited 2024-11-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain O
686–698（13 aa）
Chain P
686–698（13 aa）
|
Not recorded | B81 (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；289.15 K；0.2 M ammonium acetate, 0.1 M Bis-Tris pH 5.5, 25% w/v PEG 3350
|
Resolution 2.00 Å R-free 0.278 |
| 9EZ1 Vitamin D receptor in complex with 1,4a,25-trihydroxyvitamin D3 Deposited 2024-04-10 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | A1H9P 1,4a,25-trihydroxyvitamin D3 × 2 ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M MES pH 6.0,2.5 M NaOAc
|
Resolution 1.95 Å R-free 0.258 |
| 9EZ2 Vitamin D receptor complex with 1,4b,25-trihydroxyvitamin D3 Deposited 2024-04-10 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | A1H72 1,4b,25-trihydroxyvitamin D3 × 2 ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M MES pH 6.0,2.5 M NaOAc
|
Resolution 1.80 Å R-free 0.230 |
| 9FW8 VDR complex with UG-650 Deposited 2024-06-28 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | A1IGV (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{S})-7-methyl-4-methylidene-7-oxidanyl-octan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；290 K；(NH4)2SO4 1.5 M, BisTris 0.1 M pH 7
|
Resolution 2.42 Å R-free 0.261 |
| 9GY8 Vitamin D Receptor complex with Sila-A Deposited 2024-10-01 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | A1IQM (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-5-trimethylsilylpentan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；(NH4)2SO4 1.5M, Tris 0.1M pH 8
|
Resolution 2.20 Å R-free 0.262 |
| 9GYA Vitamin D Receptor in complex with Sila-e Deposited 2024-10-01 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | ACT ACETATE ION × 2 A1IQQ (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R})-5-dimethylsilylpent-4-yn-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；NaAcetate 2.5M, Hepes 0.1M pH 7.5
|
Resolution 1.85 Å R-free 0.232 |
| 9GYC Vitamin D receptor in complex with Sila-d Deposited 2024-10-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
686–698（13 aa）
|
Not recorded | ACT ACETATE ION × 1 A1IQP (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R})-5-[~{tert}-butyl(dimethyl)silyl]pent-4-yn-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；NaAcetate 2.5M, Hepes 0.1M pH 7.5
|
Resolution 2.20 Å R-free 0.246 |
| 9GYJ Vitamin D receptor in complex with Sila-c Deposited 2024-10-02 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | ACT ACETATE ION × 2 A1IQN (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-5-trimethylsilylpent-4-yn-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；NaAcetate 2.5M
|
Resolution 1.90 Å R-free 0.239 |
| 9GYK Vitamin D receptor in complex with Sila-f Deposited 2024-10-02 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–698（13 aa）
|
Not recorded | ACT ACETATE ION × 2 A1IQO (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-(4-trimethylsilylbuta-1,3-diynyl)-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；NaAcetate 2.5M, Hepes 0.1M pH 7.5
|
Resolution 2.20 Å R-free 0.255 |
| 9H65 Steroidal Selective Modulators of FXR with Therapeutic Potential Deposited 2024-10-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
740–752（13 aa）
Chain D
740–752（13 aa）
|
Not recorded | RJC 1-[(3R)-3-[(3R,4R,5S,6R,7R,8S,9S,10R,13R,14S,17R)-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3-(phenylsulfonyl)urea × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；295 K；0.1M HEPES, 0.1M magnesium chloride hexahydrate, 20% PEG 6000, 10% ethylene glycol
|
Resolution 3.10 Å R-free 0.323 |
| 9H66 Steroidal Selective Modulators of FXR with Therapeutic Potential Deposited 2024-10-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain E
740–752（13 aa）
Chain F
740–752（13 aa）
Chain G
740–752（13 aa）
|
Not recorded | R3U (4~{R})-4-[(3~{R},4~{R},5~{S},6~{R},7~{R},8~{S},9~{S},10~{R},13~{R},14~{R},17~{R})-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-~{N}-[4-(trifluoromethyloxy)phenyl]sulfonyl-pentanamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.2；295 K；0.1M sodium phosphate dibasic, 0.2M lithium sulphate pH4.2, 20% PEG2000 MME
|
Resolution 2.60 Å R-free 0.312 |
| 9H66 Steroidal Selective Modulators of FXR with Therapeutic Potential Deposited 2024-10-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain H
740–752（13 aa）
Chain I
740–752（13 aa）
Chain J
740–752（13 aa）
|
Not recorded | R3U (4~{R})-4-[(3~{R},4~{R},5~{S},6~{R},7~{R},8~{S},9~{S},10~{R},13~{R},14~{R},17~{R})-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-~{N}-[4-(trifluoromethyloxy)phenyl]sulfonyl-pentanamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.2；295 K；0.1M sodium phosphate dibasic, 0.2M lithium sulphate pH4.2, 20% PEG2000 MME
|
Resolution 2.60 Å R-free 0.312 |
| 9H66 Steroidal Selective Modulators of FXR with Therapeutic Potential Deposited 2024-10-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain J
740–752（13 aa）
|
Not recorded | R3U (4~{R})-4-[(3~{R},4~{R},5~{S},6~{R},7~{R},8~{S},9~{S},10~{R},13~{R},14~{R},17~{R})-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-~{N}-[4-(trifluoromethyloxy)phenyl]sulfonyl-pentanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.2；295 K；0.1M sodium phosphate dibasic, 0.2M lithium sulphate pH4.2, 20% PEG2000 MME
|
Resolution 2.60 Å R-free 0.312 |
| 9IX5 An agonist(compound 15n) of Thyroid Hormone Receptor B Deposited 2024-07-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
741–752（12 aa）
|
Not recorded | A1EAC 2-[(1-methoxy-7-naphthalen-2-yloxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.35 M Sodium citrate tribasic dihydrate, 22%(w/v) Polyethylene glycol 3,350
|
Resolution 2.65 Å R-free 0.277 |
| 9J0K An agonist(compound 14e)of Thyroid Hormone Receptor B Deposited 2024-08-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
741–752（12 aa）
|
Not recorded | A1EAE 2-[[7-[3-(aminomethyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M ammonium sulfate, 0.1 M MES monohydrate pH 6.7 and 13% v/v 1,4-Dioxane
|
Resolution 2.70 Å R-free 0.275 |
| 9J0K An agonist(compound 14e)of Thyroid Hormone Receptor B Deposited 2024-08-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
741–752（12 aa）
|
Not recorded | A1EAE 2-[[7-[3-(aminomethyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M ammonium sulfate, 0.1 M MES monohydrate pH 6.7 and 13% v/v 1,4-Dioxane
|
Resolution 2.70 Å R-free 0.275 |
| 9LQ3 Crystal structure of Linafexor-FXR complex Deposited 2025-01-27 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
687–697（11 aa）
|
Not recorded | A1ELK Linafexor × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；291 K；0.2 M Sodium malonate pH 7.0, 20% Polyethylene glycol 3,350
|
Resolution 2.80 Å R-free 0.293 |
| 9QX6 Crystal structure of RXR alpha LBD bound to a synthetic agonist FN537 and a coactivator fragment Deposited 2025-04-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
687–696（10 aa）
|
Not recorded | A1JAT (6R,6aR,7S,10R,10aS)-6-(3,5-bis(trifluoromethyl)phenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-3-carboxylic acid × 1 A1JHO 6S,6aS,7R,10S,10aR)-6-(3,5-bis(trifluoromethyl)phenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-3-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；289 K；20% PEG3350, 0.2M calcium acetate
|
Resolution 1.46 Å R-free 0.213 |
| 9RAP VDR complex with UG-635 Deposited 2025-05-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
686–698（13 aa）
|
Not recorded | ACT ACETATE ION × 1 A1JD0 (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{S})-6-[bis(oxidanyl)amino]-6-methyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；290 K；3M Na Acetate 0.1M Tris HCl pH8
|
Resolution 2.20 Å R-free 0.249 |
| 9RCG Vitamin D receptor complex with a vitamin D receptor agonist/histone deacetylase inhibitor hybrid molecule Deposited 2025-05-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
686–698（13 aa）
|
Not recorded | A1JD5 4-[4-[3-[5-[(3~{S})-4,4-dimethyl-3-oxidanyl-pentyl]-4-methyl-1,3-thiazol-2-yl]pentan-3-yl]phenoxy]-~{N}-oxidanyl-butanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；Na2 Tartrate 1.1M, MgCl2 0.2M, Hepes 0.1M pH7.5
|
Resolution 2.10 Å R-free 0.206 |
| 9RMR Crystal structure of RXR alpha LBD bound to a synthetic agonist FN558 and a coactivator fragment Deposited 2025-06-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
687–696（10 aa）
|
Not recorded | A1JH6 FN558 × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；20% PEG 3350, 0.1 M magnesium actetate
|
Resolution 1.65 Å R-free 0.215 |
| 9SMQ Crystal structure of LRH-1/TIF-2 peptide in complex with CP4 Deposited 2025-09-08 | 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 C
740–753（14 aa）
Chain E
740–753（14 aa）
|
Not recorded | A1JOT 3-[5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]propanoic acid × 1 PO4 PHOSPHATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；1.25 M Ammonium phosphate monobasic
0.9 Ammonium phosphate dibasic
|
Resolution 2.20 Å R-free 0.244 |
283 other PDB entries and 333 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | NCOA2_HUMAN |
| Isoform | — |
| PDB entities | 2 |
| Chains and sequence ranges | Author chain C； PDBConstruct 1–12； UniProt 741–752 Author chain E； PDBConstruct 1–12； UniProt 741–752 |
