Nuclear receptor coactivator 1
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 × 8 PDB declaration: octameric（8） Consistent with protein copy count | Chain E； UniProt 686–700 Chain F； UniProt 686–700 | Not recorded | RXR-like protein × 4 9CR (9cis)-retinoic acid × 4 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；HEPES, sodium formate, sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K | Resolution 2.50 Å R-free 0.243 |
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 1XIU | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1TFC CRYSTAL STRUCTURE OF THE LIGAND-BINDING DOMAIN OF THE ESTROGEN-RELATED RECEPTOR GAMMA IN COMPLEX WITH A STEROID RECEPTOR COACTIVATOR-1 PEPTIDE Deposited 2004-05-27 | 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 C
686–700（15 aa）
Fragment：SECOND NR-BOX
Chain D
686–700（15 aa）
Fragment：SECOND NR-BOX
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；TRIS.HCL, AMMONIUM SULFATE,
GLYCEROL, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.40 Å R-free 0.258 |
| 1ZAF Crystal structure of estrogen receptor beta complexed with 3-Bromo-6-hydroxy-2-(4-hydroxy-phenyl)-inden-1-one Deposited 2005-04-06 | 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 C
630–640（11 aa）
Chain D
630–640（11 aa）
|
Not recorded | 789 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.5；291 K；15% PEG3350, 0.2M Mg Acetate, pH 7.5, VAPOR DIFFUSION, temperature 291K
|
Resolution 2.20 Å R-free 0.286 |
| 2A3I Structural and Biochemical Mechanisms for the Specificity of Hormone Binding and Coactivator Assembly by Mineralocorticoid Receptor Deposited 2005-06-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1430–1441（12 aa）
|
Not recorded | C0R CORTICOSTERONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.9；293 K；PEG mme5K, Sodium Acetate, 1-6 Hexanediol, pH 7.9, VAPOR DIFFUSION, temperature 293K
|
Resolution 1.95 Å R-free 0.253 |
| 2C52 Structural diversity in CBP p160 complexes Deposited 2005-10-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
920–970（51 aa）
Fragment：AD1, RESIDUES 920-970
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 7；298 K；Ionic strength (raw mmCIF value) 100
NMR measurement conditions
pH 7；298 K；Ionic strength (raw mmCIF value) 100
NMR measurement conditions
pH 7；298 K；Ionic strength (raw mmCIF value) 100
NMR measurement conditions
pH 7；298 K；Ionic strength (raw mmCIF value) 100
NMR sample composition
90% WATER/10% D2O
NMR sample composition
90% WATER/10% D2O
NMR sample composition
100% D2O
NMR sample composition
100% D2O
|
Resolution not provided |
| 2FVJ A novel anti-adipogenic partial agonist of peroxisome proliferator-activated receptor-gamma (PPARG) recruits pparg-coactivator-1 alpha (PGC1A) but potentiates insulin signaling in vitro Deposited 2006-01-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
628–640（13 aa）
Fragment：COACTIVATOR FRAGMENT SRC-1, 13-mer peptide from Nuclear receptor coactivator 1
|
Not recorded | RO0 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-4-{[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]METHYL}ISOQUINOLINE × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；20% PEG3350, 0.2M magnesium chloride, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.99 Å R-free 0.246 |
| 2GTK Structure-based Design of Indole Propionic Acids as Novel PPARag CO-Agonists Deposited 2006-04-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
631–640（10 aa）
Fragment：residues 631-640
|
Not recorded | 208 (2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.1M TRIS, PEG 3350, 0.2M MGSO4, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.10 Å R-free 0.261 |
| 2HBH Crystal structure of Vitamin D nuclear receptor ligand binding domain bound to a locked side-chain analog of calcitriol and SRC-1 peptide Deposited 2006-06-14 | 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 B
686–700（15 aa）
|
Not recorded | XE4 1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-, (1R,3S,5Z) × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；Li sulfate 1.6M, Mg sulfate 50mM, Bis Tris 0.1M, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.65 Å R-free 0.261 |
| 2HC4 Crystal structure of the LBD of VDR of Danio rerio in complex with calcitriol Deposited 2006-06-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–700（15 aa）
|
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 × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；Li sulfate 1.6M, Mg sulfate 50mM, Bis Tris 0.1M, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.20 Å R-free 0.250 |
| 2HCD Crystal structure of the ligand binding domain of the Vitamin D nuclear receptor in complex with Gemini and a coactivator peptide Deposited 2006-06-16 | 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 B
686–700（15 aa）
|
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；298 K；Li sulfate 1.6M, Mgsulfate 50mM, Bis tris 0.1M, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.60 Å R-free 0.260 |
| 2NV7 Crystal Structure of Estrogen Receptor Beta Complexed with WAY-555 Deposited 2006-11-10 | 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 C
631–640（10 aa）
Chain D
631–640（10 aa）
|
Not recorded | 555 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；precipitant: PEG3350, Mg formate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.10 Å R-free 0.265 |
| 2P54 a crystal structure of PPAR alpha bound with SRC1 peptide and GW735 Deposited 2007-03-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
686–696（11 aa）
Fragment：SRC1 peptide
|
Not recorded | 735 2-METHYL-2-(4-{[({4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}CARBONYL)AMINO]METHYL}PHENOXY)PROPANOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；7% PEG 3350, 200 mM NaF, 12% 2,5-hexanediol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.79 Å R-free 0.227 |
| 3BEJ Structure of human FXR in complex with MFA-1 and co-activator peptide Deposited 2007-11-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
676–700（25 aa）
Fragment：residues 676-700
|
Not recorded | YT3 YTTRIUM (III) ION × 1 MUF (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；16-22% PEG3350, 0.1M Bis-Tris, 4 mM YCl(3), 0.2M Ammonium acetate, 1 mM DTT.
Protein was carboxymethylated with iodoacetic acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.90 Å R-free 0.254 |
| 3BEJ Structure of human FXR in complex with MFA-1 and co-activator peptide Deposited 2007-11-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain F
676–700（25 aa）
Fragment：residues 676-700
|
Not recorded | YT3 YTTRIUM (III) ION × 1 MUF (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；16-22% PEG3350, 0.1M Bis-Tris, 4 mM YCl(3), 0.2M Ammonium acetate, 1 mM DTT.
Protein was carboxymethylated with iodoacetic acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.90 Å R-free 0.254 |
| 3BQD Doubling the Size of the Glucocorticoid Receptor Ligand Binding Pocket by Deacylcortivazol Deposited 2007-12-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1429–1441（13 aa）
Fragment：nuclear receptor coactivator 1 isoform 1 coactivator motif (residues 739-751)
|
Not recorded | DAY 1-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；1.3 M ammonium sulfate, 100 mM Tris, 8% glycerol, 3 mM n-hexadecyl-beta-maltoside, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 2.50 Å R-free 0.261 |
| 3CTB Tethered PXR-LBD/SRC-1p apoprotein Deposited 2008-04-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
678–700（23 aa）
Fragment：PXR, residues 130-434, linker, SRC-1, residues 678-700
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；277 K；10-30% MPD or isopropanol, 100 mM imidazole, pH 7, VAPOR DIFFUSION, temperature 277K
|
Resolution 2.00 Å R-free 0.244 |
| 3CTB Tethered PXR-LBD/SRC-1p apoprotein Deposited 2008-04-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
678–700（23 aa）
Fragment：PXR, residues 130-434, linker, SRC-1, residues 678-700
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；277 K；10-30% MPD or isopropanol, 100 mM imidazole, pH 7, VAPOR DIFFUSION, temperature 277K
|
Resolution 2.00 Å R-free 0.244 |
| 3CTB Tethered PXR-LBD/SRC-1p apoprotein Deposited 2008-04-11 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
678–700（23 aa）
Fragment：PXR, residues 130-434, linker, SRC-1, residues 678-700
Chain B
678–700（23 aa）
Fragment：PXR, residues 130-434, linker, SRC-1, residues 678-700
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；277 K；10-30% MPD or isopropanol, 100 mM imidazole, pH 7, VAPOR DIFFUSION, temperature 277K
|
Resolution 2.00 Å R-free 0.244 |
| 3CWD Molecular recognition of nitro-fatty acids by PPAR gamma Deposited 2008-04-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
685–700（16 aa）
Fragment：LXXLL motif of SRC1-2
|
Not recorded | LNA (9E,12Z)-10-nitrooctadeca-9,12-dienoic acid × 1 LNB (9Z,12E)-12-nitrooctadeca-9,12-dienoic acid × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.40 Å R-free 0.290 |
| 3CWD Molecular recognition of nitro-fatty acids by PPAR gamma Deposited 2008-04-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
685–700（16 aa）
Fragment：LXXLL motif of SRC1-2
|
Not recorded | LNA (9E,12Z)-10-nitrooctadeca-9,12-dienoic acid × 1 LNB (9Z,12E)-12-nitrooctadeca-9,12-dienoic acid × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.40 Å R-free 0.290 |
| 3DCT FXR with SRC1 and GW4064 Deposited 2008-06-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
741–761（21 aa）
Fragment：UNP residues 741-761
|
Not recorded | 064 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
hanging drop；pH 6.5；298 K；0.2M Li2SO4, 0.1M Bis-Tris pH6.5, 25% PEG3350, hanging drop, temperature 298K
|
Resolution 2.50 Å R-free 0.240 |
| 3DCU FXR with SRC1 and GSK8062 Deposited 2008-06-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
741–761（21 aa）
Fragment：UNP residues 741-761
|
Not recorded | O62 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.2M Li2SO4, 0.1M Bis-Tris pH6.5, 25% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.95 Å R-free 0.228 |
| 3DR1 Side-chain fluorine atoms of non-steroidal vitamin D3 analogs stabilize helix 12 of vitamin D receptor Deposited 2008-07-10 | 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 B
686–700（15 aa）
|
Not recorded | MG MAGNESIUM ION × 2 C5D (1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；Li sulfate 1.6M, Mg sulfate 50mM, Bis Tris 0.1M , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.70 Å R-free 0.286 |
| 3ET1 Structure of PPARalpha with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid Deposited 2008-10-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain P
681–696（16 aa）
Fragment：residues 681-696
|
Not recorded | ET1 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；277 K；The purified PPARa LBD protein was diluted to 10 mg/ml and 1mM of indeglitazar and 2x molar excess of SRC-1 peptide were added prior to crystallization by mixing equal volumes of protein/compound sample with reservoir solution containing 16% PEG 8000, 0.1 M Tris buffer at pH 8.0, 0.02 M lithium sulfate, and 5% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.50 Å R-free 0.258 |
| 3ET1 Structure of PPARalpha with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid Deposited 2008-10-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain Q
681–696（16 aa）
Fragment：residues 681-696
|
Not recorded | ET1 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；277 K；The purified PPARa LBD protein was diluted to 10 mg/ml and 1mM of indeglitazar and 2x molar excess of SRC-1 peptide were added prior to crystallization by mixing equal volumes of protein/compound sample with reservoir solution containing 16% PEG 8000, 0.1 M Tris buffer at pH 8.0, 0.02 M lithium sulfate, and 5% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.50 Å R-free 0.258 |
| 3ET3 Structure of PPARgamma with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid Deposited 2008-10-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain P
680–695（16 aa）
Fragment：residues 681-696
|
Not recorded | ET1 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；277 K；The purified PPARg LBD protein was diluted to 12 mg/ml and 1mM of indeglitazar and 2x molar excess of SRC-1 peptide were added prior to crystallization by mixing equal volumes of protein/compound sample with reservoir solution containing 27% polyethylene glycol (PEG) 4000, 0.1 M 2-(bis-(2-hydroxy-ethyl)-amino)-2-hydroxymethyl- propane-1,3-diol (BisTris) buffer at pH 6.5, 0.2 M ammonium acetate, and 5% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.95 Å R-free 0.236 |
| 3FEI Design and biological evaluation of novel, balanced dual PPARa/g agonists Deposited 2008-11-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain Z
744–756（13 aa）
|
Not recorded | CTM (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.1M Tris, 0.2M MgCl2, 25% PEG3350, 15% Glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.40 Å R-free 0.260 |
| 3FEJ Design and biological evaluation of novel, balanced dual PPARa/g agonists Deposited 2008-11-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
628–640（13 aa）
|
Not recorded | CTM (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.1M Tris, 15-20% PEG3350, 10% Glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.01 Å R-free 0.250 |
| 3FUR Crystal Structure of PPARg in complex with INT131 Deposited 2009-01-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain H
629–640（12 aa）
Fragment：FRAGMENT CONTAINING HD1, UNP residues 629-640
|
Not recorded | Z12 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；30% PEG 4000, 0.2M MgCl2, Tris-HCl 8.5, vapor diffusion, hanging drop, temperature 298K
|
Resolution 2.30 Å R-free 0.242 |
| 3FXV Identification of an N-oxide pyridine GW4064 analogue as a potent FXR agonist Deposited 2009-01-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
744–756（13 aa）
Fragment：residues 744-756
|
Not recorded | 643 6-(4-{[3-(3,5-dichloropyridin-4-yl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1H-indole-3-carbox ylic acid × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.26 Å R-free 0.242 |
| 3G8I Aleglitazar, a new, potent, and balanced PPAR alpha/gamma agonist for the treatment of type II diabetes Deposited 2009-02-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain Z
744–756（13 aa）
Fragment：motif 5
|
Not recorded | RO7 (2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8.5；293 K；20-22% PEG 2000, 0.2M NACL, 5% GLYCEROL, 0.1M TRIS-CL, pH 8.5, VAPOR DIFFUSION, temperature 293K
|
Resolution 2.20 Å R-free 0.261 |
| 3G9E Aleglitaar. a new. potent, and balanced dual ppara/g agonist for the treatment of type II diabetes Deposited 2009-02-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
628–640（13 aa）
Fragment：CO-ACTIVATOR MOTIF 3
|
Not recorded | RO7 (2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.2M NaK TARTRATE, 25% PEG 3350, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.262 |
| 3H0A Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (PPARg) and Retinoic Acid Receptor Alpha (RXRa) in Complex with 9-cis Retinoic Acid, Co-activator Peptide, and a Partial Agonist Deposited 2009-04-08 | 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
629–640（12 aa）
Fragment：UNP RESIDUES 629-640
Chain E
629–640（12 aa）
Fragment：UNP RESIDUES 629-640
|
Not recorded | 9RA 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid × 1 D30 [(4-{[2-(pent-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.5；289 K；25% PEG 2000 monomethyl ether, 0.3 M sodium acetate, 0.1 M Hepes 7.5, vapor diffusion, temperature 289K
|
Resolution 2.10 Å R-free 0.342 |
| 3HC5 FXR with SRC1 and GSK826 Deposited 2009-05-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
741–761（21 aa）
Fragment：SRC1
|
Not recorded | 82X 3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.2M Li2SO4, 0.1M Bis-Tris, 25% PEG3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.60 Å R-free 0.269 |
| 3HC6 FXR with SRC1 and GSK088 Deposited 2009-05-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
741–761（21 aa）
Fragment：LXXLL Motif
|
Not recorded | 088 3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.2M Li2SO4, 0.1M Bis-Tris, 25% PEG3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 3.20 Å R-free 0.287 |
| 3HVL Tethered PXR-LBD/SRC-1p complexed with SR-12813 Deposited 2009-06-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
678–700（23 aa）
Fragment：PXR, residues 130-434, linker, SRC-1, residues 678-700
|
Not recorded | SRL [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；277 K；10-30% MPD OR ISOPROPANOL, 100 mM IMIDAZOLE, 1 mM SR12813, pH 7, VAPOR DIFFUSION, temperature 277K
|
Resolution 2.10 Å R-free 0.265 |
| 3HVL Tethered PXR-LBD/SRC-1p complexed with SR-12813 Deposited 2009-06-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
678–700（23 aa）
Fragment：PXR, residues 130-434, linker, SRC-1, residues 678-700
|
Not recorded | SRL [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；277 K；10-30% MPD OR ISOPROPANOL, 100 mM IMIDAZOLE, 1 mM SR12813, pH 7, VAPOR DIFFUSION, temperature 277K
|
Resolution 2.10 Å R-free 0.265 |
| 3HVL Tethered PXR-LBD/SRC-1p complexed with SR-12813 Deposited 2009-06-16 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
678–700（23 aa）
Fragment：PXR, residues 130-434, linker, SRC-1, residues 678-700
Chain B
678–700（23 aa）
Fragment：PXR, residues 130-434, linker, SRC-1, residues 678-700
|
Not recorded | SRL [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；277 K；10-30% MPD OR ISOPROPANOL, 100 mM IMIDAZOLE, 1 mM SR12813, pH 7, VAPOR DIFFUSION, temperature 277K
|
Resolution 2.10 Å R-free 0.265 |
| 3IPQ X-ray structure of GW3965 synthetic agonist bound to the LXR-alpha Deposited 2009-08-18 | 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 B
676–700（25 aa）
Fragment：Steroid receptor co-activator 1: UNP residues 676-700
|
Not recorded | 965 [3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；100mM (NH4)2SO4, 40mM Tris-HCl pH 7.8, 60mM Imidazole pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.234 |
| 3IPS X-ray structure of benzisoxazole synthetic agonist bound to the LXR-alpha Deposited 2009-08-18 | 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
676–700（25 aa）
Fragment：Steroid receptor co-activator 1: UNP residues 676-700
Chain D
676–700（25 aa）
Fragment：Steroid receptor co-activator 1: UNP residues 676-700
|
Not recorded | SO4 SULFATE ION × 2 O90 {3-chloro-4-[(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)sulfanyl]phenyl}acetic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；18% PEG MME 2000, 100mM (NH4)2SO4, 35mM Tris-HCl pH 7.8, 65mM Imidazole, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.26 Å R-free 0.315 |
| 3IPU X-ray structure of benzisoxazole urea synthetic agonist bound to the LXR-alpha Deposited 2009-08-18 | 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
676–700（25 aa）
Fragment：Steroid receptor co-activator 1: UNP residues 676-700
Chain D
676–700（25 aa）
Fragment：Steroid receptor co-activator 1: UNP residues 676-700
|
Not recorded | O40 4-{[methyl(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)carbamoyl]amino}benzoic acid × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；10% PEG MME 2000, 100mM (NH4)2SO4, 40mM Tris-HCl pH 7.8, 60mM Imidazole pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.40 Å R-free 0.291 |
| 3KMR Crystal structure of RARalpha ligand binding domain in complex with an agonist ligand (Am580) and a coactivator fragment Deposited 2009-11-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
686–698（13 aa）
Fragment：NR interaction motif 2 (UNP RESIDUE 686-698)
|
Not recorded | EQN 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；15% (w/v) PEG 6000, 5% (w/v) glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.80 Å R-free 0.237 |
| 3LMP Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator Deposited 2010-01-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
686–700（15 aa）
Fragment：UNP residues 686-700
|
Not recorded | CEK (9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；PEG 4000, NaSCN, vapor diffusion, temperature 295K, VAPOR DIFFUSION, HANGING DROP, pH 8.5
|
Resolution 1.90 Å R-free 0.242 |
| 3OKH Crystal structure of human FXR in complex with 2-(4-chlorophenyl)-1-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1H-benzimidazole-6-carboxylic acid Deposited 2010-08-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
744–757（14 aa）
Fragment：UNP RESIDUES 744-757
|
Not recorded | OKH 2-(4-chlorophenyl)-1-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1H-benzimidazole-6-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1M NaCl, 0.1M BisTris pH6.5, 1.5M AmmSulfate, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.50 Å R-free 0.273 |
| 3OKI Crystal structure of human FXR in complex with (2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide Deposited 2010-08-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
744–757（14 aa）
Fragment：UNP RESIDUES 744-757
|
Not recorded | OKI (2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1M Bis-Tris pH 6.5, 28% PEG 2000, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.280 |
| 3OKI Crystal structure of human FXR in complex with (2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide Deposited 2010-08-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
744–757（14 aa）
Fragment：UNP RESIDUES 744-757
|
Not recorded | OKI (2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1M Bis-Tris pH 6.5, 28% PEG 2000, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.280 |
| 3OLF Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid Deposited 2010-08-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
744–757（14 aa）
Fragment：UNP RESIDUES 744-757
|
Not recorded | OLF 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.1M HEPES pH 7.5, 1.4M tri-sodium citrate dihydrate, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.90 Å R-free 0.238 |
| 3OLF Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid Deposited 2010-08-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
744–757（14 aa）
Fragment：UNP RESIDUES 744-757
|
Not recorded | OLF 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.1M HEPES pH 7.5, 1.4M tri-sodium citrate dihydrate, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.90 Å R-free 0.238 |
| 3OLL Crystal structure of phosphorylated estrogen receptor beta ligand binding domain Deposited 2010-08-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
683–701（19 aa）
Fragment：UNP residues 683-701
|
Not recorded | EST ESTRADIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
|
Resolution 1.50 Å R-free 0.208 |
| 3OLL Crystal structure of phosphorylated estrogen receptor beta ligand binding domain Deposited 2010-08-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
683–701（19 aa）
Fragment：UNP residues 683-701
|
Not recorded | EST ESTRADIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
|
Resolution 1.50 Å R-free 0.208 |
| 3OLL Crystal structure of phosphorylated estrogen receptor beta ligand binding domain Deposited 2010-08-26 | Different construct 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
683–701（19 aa）
Fragment：UNP residues 683-701
Chain D
683–701（19 aa）
Fragment：UNP residues 683-701
|
Not recorded | EST ESTRADIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
|
Resolution 1.50 Å R-free 0.208 |
| 3OLS Crystal structure of estrogen receptor beta ligand binding domain Deposited 2010-08-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
683–701（19 aa）
Fragment：Box 2 (UNP residues 683-701)
|
Not recorded | EST ESTRADIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
|
Resolution 2.20 Å R-free 0.266 |
| 3OLS Crystal structure of estrogen receptor beta ligand binding domain Deposited 2010-08-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
683–701（19 aa）
Fragment：Box 2 (UNP residues 683-701)
|
Not recorded | EST ESTRADIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
|
Resolution 2.20 Å R-free 0.266 |
| 3OLS Crystal structure of estrogen receptor beta ligand binding domain Deposited 2010-08-26 | Different construct 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
683–701（19 aa）
Fragment：Box 2 (UNP residues 683-701)
Chain D
683–701（19 aa）
Fragment：Box 2 (UNP residues 683-701)
|
Not recorded | EST ESTRADIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
|
Resolution 2.20 Å R-free 0.266 |
| 3OMK Crystal structure of human FXR in complex with (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide Deposited 2010-08-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
744–757（14 aa）
Fragment：UNP RESIDUES 744-757
|
Not recorded | OMK (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1M Bis-Tris pH 6.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.90 Å R-free 0.245 |
| 3OMK Crystal structure of human FXR in complex with (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide Deposited 2010-08-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
744–757（14 aa）
Fragment：UNP RESIDUES 744-757
|
Not recorded | OMK (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1M Bis-Tris pH 6.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.90 Å R-free 0.245 |
| 3OMM Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid Deposited 2010-08-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
744–757（14 aa）
Fragment：UNP RESIDUES 744-757
|
Not recorded | OMM 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1M 2,2-Bis(hydroxymethyl)-2,2',2''-nitrilotriethanol pH 6.5, 20% PEG 5000 MME, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.10 Å R-free 0.256 |
| 3OMM Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid Deposited 2010-08-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
744–757（14 aa）
Fragment：UNP RESIDUES 744-757
|
Not recorded | OMM 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1M 2,2-Bis(hydroxymethyl)-2,2',2''-nitrilotriethanol pH 6.5, 20% PEG 5000 MME, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.10 Å R-free 0.256 |
| 3OMO Fragment-Based Design of novel Estrogen Receptor Ligands Deposited 2010-08-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
683–701（19 aa）
Fragment：Box 2 (UNP residues 683-701)
|
Not recorded | WV7 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
|
Resolution 2.21 Å R-free 0.264 |
| 3OMO Fragment-Based Design of novel Estrogen Receptor Ligands Deposited 2010-08-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
683–701（19 aa）
Fragment：Box 2 (UNP residues 683-701)
|
Not recorded | WV7 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
|
Resolution 2.21 Å R-free 0.264 |
| 3OMO Fragment-Based Design of novel Estrogen Receptor Ligands Deposited 2010-08-27 | Different construct 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
683–701（19 aa）
Fragment：Box 2 (UNP residues 683-701)
Chain D
683–701（19 aa）
Fragment：Box 2 (UNP residues 683-701)
|
Not recorded | WV7 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
|
Resolution 2.21 Å R-free 0.264 |
| 3OMP Fragment-Based Design of novel Estrogen Receptor Ligands Deposited 2010-08-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
683–701（19 aa）
Fragment：Box 2 (UNP residues 683-701)
|
Not recorded | W14 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
|
Resolution 2.05 Å R-free 0.255 |
| 3OMP Fragment-Based Design of novel Estrogen Receptor Ligands Deposited 2010-08-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
683–701（19 aa）
Fragment：Box 2 (UNP residues 683-701)
|
Not recorded | W14 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
|
Resolution 2.05 Å R-free 0.255 |
| 3OMP Fragment-Based Design of novel Estrogen Receptor Ligands Deposited 2010-08-27 | Different construct 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
683–701（19 aa）
Fragment：Box 2 (UNP residues 683-701)
Chain D
683–701（19 aa）
Fragment：Box 2 (UNP residues 683-701)
|
Not recorded | W14 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
|
Resolution 2.05 Å R-free 0.255 |
| 3OMQ Fragment-Based Design of novel Estrogen Receptor Ligands Deposited 2010-08-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
683–701（19 aa）
Fragment：Box 2 (UNP residues 683-701)
|
Not recorded | W23 2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
|
Resolution 1.97 Å R-free 0.260 |
| 3OMQ Fragment-Based Design of novel Estrogen Receptor Ligands Deposited 2010-08-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
683–701（19 aa）
Fragment：Box 2 (UNP residues 683-701)
|
Not recorded | W23 2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
|
Resolution 1.97 Å R-free 0.260 |
| 3OMQ Fragment-Based Design of novel Estrogen Receptor Ligands Deposited 2010-08-27 | Different construct 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
683–701（19 aa）
Fragment：Box 2 (UNP residues 683-701)
Chain D
683–701（19 aa）
Fragment：Box 2 (UNP residues 683-701)
|
Not recorded | W23 2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
|
Resolution 1.97 Å R-free 0.260 |
| 3OOF Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid Deposited 2010-08-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
744–757（14 aa）
Fragment：UNP RESIDUES 744-757
|
Not recorded | OOF 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；298 K；0.1M Bis-Tris pH 5.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.29 Å R-free 0.255 |
| 3OOF Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid Deposited 2010-08-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
744–757（14 aa）
Fragment：UNP RESIDUES 744-757
|
Not recorded | OOF 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；298 K；0.1M Bis-Tris pH 5.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.29 Å R-free 0.255 |
| 3OOK Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid Deposited 2010-08-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
744–757（14 aa）
Fragment：UNP RESIDUES 744-757
|
Not recorded | OOK 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1M Bis-Tris pH 6.5, 20% PEG 5000, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.29 Å R-free 0.271 |
| 3OOK Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid Deposited 2010-08-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
744–757（14 aa）
Fragment：UNP RESIDUES 744-757
|
Not recorded | OOK 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1M Bis-Tris pH 6.5, 20% PEG 5000, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.29 Å R-free 0.271 |
| 3QT0 Revealing a steroid receptor ligand as a unique PPARgamma agonist Deposited 2011-02-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
685–700（16 aa）
Fragment：UNP residies 685-700
|
Not recorded | 486 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；PEG, Tris-HCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.277 |
| 3RUT FXR with SRC1 and GSK359 Deposited 2011-05-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
745–755（11 aa）
Fragment：UNP residues 745-755
|
Not recorded | SO4 SULFATE ION × 2 59G 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
HANGING DROP；pH 6.5；298 K；25% PEG3350, 0.2 M lithium sulfate, 0.1 M Bis-Tris, pH 6.5, HANGING DROP, temperature 298K
|
Resolution 3.00 Å R-free 0.266 |
| 3RUU FXR with SRC1 and GSK237 Deposited 2011-05-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
745–755（11 aa）
Fragment：UNP residues 745-755
|
Not recorded | SO4 SULFATE ION × 2 37G 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-3-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
HANGING DROP；pH 6.5；298 K；25% PEG3350, 0.2 M lithium sulfate, 0.1 M Bis-Tris, pH 6.5, HANGING DROP, temperature 298K
|
Resolution 2.50 Å R-free 0.253 |
| 3RVF FXR with SRC1 and GSK2034 Deposited 2011-05-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
741–761（21 aa）
Fragment：UNP residues 741-761
|
Not recorded | SO4 SULFATE ION × 1 034 5-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-2-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
HANGING DROP；pH 6.5；298 K；25% PEG3350, 0.2 M lithium sulfate, 0.1 M Bis-Tris, pH 6.5, HANGING DROP, temperature 298K
|
Resolution 3.10 Å R-free 0.290 |
| 3S9S Ligand binding domain of PPARgamma complexed with a benzimidazole partial agonist Deposited 2011-06-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
685–697（13 aa）
Fragment：LXXLL MOTIF 4 (RESIDUES 685-697)
|
Not recorded | M0T 1-(3,4-dichlorobenzyl)-2-methyl-N-[(1R)-1-phenylpropyl]-1H-benzimidazole-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；100MM HEPES, 1.4M SODIUM CITRATE, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.55 Å R-free 0.284 |
| 3T03 Crystal structure of PPAR gamma ligand binding domain in complex with a novel partial agonist GQ-16 Deposited 2011-07-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: monomeric |
Chain C
683–700（18 aa）
Fragment：UNP residues 683-700
|
Not recorded | 3T0 (5Z)-5-(5-bromo-2-methoxybenzylidene)-3-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.2 M Ammonium acetate, 0.1 M Sodium citrate, pH 5.6, 30%(w/v) PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.10 Å R-free 0.247 |
| 3T03 Crystal structure of PPAR gamma ligand binding domain in complex with a novel partial agonist GQ-16 Deposited 2011-07-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: monomeric |
Chain D
683–700（18 aa）
Fragment：UNP residues 683-700
|
Not recorded | 3T0 (5Z)-5-(5-bromo-2-methoxybenzylidene)-3-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.2 M Ammonium acetate, 0.1 M Sodium citrate, pH 5.6, 30%(w/v) PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.10 Å R-free 0.247 |
| 3UU7 Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-A Deposited 2011-11-28 | 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 F
686–698（13 aa）
Fragment：Coactivator peptide SRC-1
Chain G
686–698（13 aa）
Fragment：Coactivator peptide SRC-1
|
Not recorded | 2OH 4,4'-PROPANE-2,2-DIYLDIPHENOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；300 mM NaCl, 100 mM NaHepes pH 7.75, 30% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.20 Å R-free 0.246 |
| 3UU7 Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-A Deposited 2011-11-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain F
686–698（13 aa）
Fragment：Coactivator peptide SRC-1
|
Not recorded | 2OH 4,4'-PROPANE-2,2-DIYLDIPHENOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；300 mM NaCl, 100 mM NaHepes pH 7.75, 30% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.20 Å R-free 0.246 |
| 3UU7 Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-A Deposited 2011-11-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain G
686–698（13 aa）
Fragment：Coactivator peptide SRC-1
|
Not recorded | 2OH 4,4'-PROPANE-2,2-DIYLDIPHENOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；300 mM NaCl, 100 mM NaHepes pH 7.75, 30% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.20 Å R-free 0.246 |
| 3UUA Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-AF Deposited 2011-11-28 | 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 F
686–698（13 aa）
Fragment：Coactivator peptide SRC-1
Chain G
686–698（13 aa）
Fragment：Coactivator peptide SRC-1
|
Not recorded | 0CZ 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；300 mM NaCl, 100 mM Hepes pH 7.75, 32% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.05 Å R-free 0.231 |
| 3UUA Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-AF Deposited 2011-11-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain F
686–698（13 aa）
Fragment：Coactivator peptide SRC-1
|
Not recorded | 0CZ 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；300 mM NaCl, 100 mM Hepes pH 7.75, 32% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.05 Å R-free 0.231 |
| 3UUA Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-AF Deposited 2011-11-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain G
686–698（13 aa）
Fragment：Coactivator peptide SRC-1
|
Not recorded | 0CZ 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；300 mM NaCl, 100 mM Hepes pH 7.75, 32% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.05 Å R-free 0.231 |
| 3UUD Crystal structure of hERa-LBD (Y537S) in complex with estradiol Deposited 2011-11-28 | 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 C
686–698（13 aa）
Fragment：Coactivator peptide SRC-1
Chain D
686–698（13 aa）
Fragment：Coactivator peptide SRC-1
|
Not recorded | EST ESTRADIOL × 2 GOL GLYCEROL × 3 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；200 mM Li2SO4, 100 mM Tris pH 8.5, 30% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.60 Å R-free 0.195 |
| 3UUD Crystal structure of hERa-LBD (Y537S) in complex with estradiol Deposited 2011-11-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
686–698（13 aa）
Fragment：Coactivator peptide SRC-1
|
Not recorded | EST ESTRADIOL × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；200 mM Li2SO4, 100 mM Tris pH 8.5, 30% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.60 Å R-free 0.195 |
| 3UUD Crystal structure of hERa-LBD (Y537S) in complex with estradiol Deposited 2011-11-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
686–698（13 aa）
Fragment：Coactivator peptide SRC-1
|
Not recorded | EST ESTRADIOL × 1 GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；200 mM Li2SO4, 100 mM Tris pH 8.5, 30% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.60 Å R-free 0.195 |
| 3V9Y Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator Deposited 2011-12-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
686–700（15 aa）
|
Not recorded | 24L 4-{4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}butanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；PEG 4000, sodium thiocyanate, Tris-hydrochloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.10 Å R-free 0.252 |
| 3VN2 Crystal Structure of PPARgamma complexed with Telmisartan Deposited 2011-12-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
685–700（16 aa）
Fragment：Coactivator fragment SRC-1, UNP residues 685-700
|
Not recorded | TLS 4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M TRIS-HCL, 0.8M SODIUM CITRATE TRIBASIC DIHYDRATE, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K
|
Resolution 2.18 Å R-free 0.309 |
| 4DK7 Crystal structure of LXR ligand binding domain in complex with full agonist 1 Deposited 2012-02-03 | 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
745–756（12 aa）
Fragment：UNp residues 745-756
Chain D
745–756（12 aa）
Fragment：UNp residues 745-756
|
Not recorded | 0KS N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide × 2 ACT ACETATE ION × 1 CA CALCIUM ION × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8；293 K；0.1 M Tris pH 8, 12% PEG 10000, 0.2 M calcium acetate, 0.005 M DTT, vapor diffusion, temperature 293K
|
Resolution 2.45 Å R-free 0.270 |
| 4DK8 Crystal structure of LXR ligand binding domain in complex with partial agonist 5 Deposited 2012-02-03 | 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
745–756（12 aa）
Fragment：UNP residues 745-756
Chain D
745–756（12 aa）
Fragment：UNP residues 745-756
|
Not recorded | 0KT N-methyl-N-(4-{(1S)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide × 2 ACT ACETATE ION × 1 CA CALCIUM ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8；293 K；0.1 M Tris, 12% PEG 10000, 0.2 M calcium acetate, 0.005 M DTT, pH 8, vapor diffusion, temperature 293K
|
Resolution 2.75 Å R-free 0.278 |
| 4DM6 Crystal structure of RARb LBD homodimer in complex with TTNPB Deposited 2012-02-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
676–700（25 aa）
Fragment：unp residues 676-700
|
Not recorded | TTB 4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；290 K；5% polyethylene glycol 8000, 0.2 M KCl, 0.01 M MgCl2 and 0.05 M MES, VAPOR DIFFUSION, HANGING DROP, temperature 290K, pH 5.6
|
Resolution 1.90 Å R-free 0.239 |
| 4DM6 Crystal structure of RARb LBD homodimer in complex with TTNPB Deposited 2012-02-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain F
676–700（25 aa）
Fragment：unp residues 676-700
|
Not recorded | TTB 4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；290 K；5% polyethylene glycol 8000, 0.2 M KCl, 0.01 M MgCl2 and 0.05 M MES, VAPOR DIFFUSION, HANGING DROP, temperature 290K, pH 5.6
|
Resolution 1.90 Å R-free 0.239 |
| 4DM8 Crystal structure of RARb LBD in complex with 9cis retinoic acid Deposited 2012-02-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
676–700（25 aa）
Fragment：unp residues 676-700
|
Not recorded | REA RETINOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；290 K；5% polyethylene glycol 8000, 0.2 M
KCl, 0.01 M MgCl2 and 0.05 M MES pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K
|
Resolution 2.30 Å R-free 0.277 |
| 4DM8 Crystal structure of RARb LBD in complex with 9cis retinoic acid Deposited 2012-02-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
676–700（25 aa）
Fragment：unp residues 676-700
|
Not recorded | REA RETINOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；290 K；5% polyethylene glycol 8000, 0.2 M
KCl, 0.01 M MgCl2 and 0.05 M MES pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K
|
Resolution 2.30 Å R-free 0.277 |
| 4DQM Revealing a marine natural product as a novel agonist for retinoic acid receptors with a unique binding mode and antitumor activity Deposited 2012-02-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1432–1441（10 aa）
Fragment：LXXLL motif 7, UNP RESIDUES 1432-1441
|
Not recorded | LUF (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2% v/v Tacsimate pH7.0, 5% 2-propanol, 0.1M imadazole , 8% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.75 Å R-free 0.259 |
| 4DQM Revealing a marine natural product as a novel agonist for retinoic acid receptors with a unique binding mode and antitumor activity Deposited 2012-02-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
1432–1441（10 aa）
Fragment：LXXLL motif 7, UNP RESIDUES 1432-1441
|
Not recorded | LUF (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2% v/v Tacsimate pH7.0, 5% 2-propanol, 0.1M imadazole , 8% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.75 Å R-free 0.259 |
| 4F9M Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator Deposited 2012-05-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
686–700（15 aa）
Fragment：LXXLL box, UNP residues 686-700
|
Not recorded | FCM (9aS)-8-acetyl-N-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；PEG 4000, Sodium thiocyanate, Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.90 Å R-free 0.254 |
| 4FGY Identification of a unique PPAR ligand with an unexpected binding mode and antibetic activity Deposited 2012-06-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
686–696（11 aa）
Fragment：UNP RESIDUES 686-696
|
Not recorded | 0W3 (4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；0.2 M sodium acetate, 5% ethylene glycol, 20% PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.84 Å R-free 0.285 |
| 4G1D Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor Deposited 2012-07-10 | 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 B
686–700（15 aa）
Fragment：unp residues 686-700
|
Not recorded | 0VK 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol × 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, VAPOR DIFFUSION, HANGING DROP, temperature 295K, pH 6.5
|
Resolution 2.90 Å R-free 0.291 |
| 4G1Y Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor Deposited 2012-07-11 | 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
686–700（15 aa）
Fragment：unp residues 686-700
|
Not recorded | 0VO (4E,6Z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-ol × 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 2.85 Å R-free 0.270 |
| 4G1Z Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor Deposited 2012-07-11 | 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
686–700（15 aa）
Fragment：unp residues 686-692
|
Not recorded | 0VP 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol × 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, VAPOR DIFFUSION, HANGING DROP, temperature 295K, pH 6.5
|
Resolution 2.50 Å R-free 0.274 |
| 4G20 Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor Deposited 2012-07-11 | 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
686–700（15 aa）
Fragment：unp residues 686-700
|
Not recorded | 484 3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING 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, HANGING DROP, temperature 293K
|
Resolution 2.90 Å R-free 0.287 |
| 4G21 Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor Deposited 2012-07-11 | 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
686–700（15 aa）
Fragment：unp residues 686-700
|
Not recorded | 0VP 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol × 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 2.90 Å R-free 0.291 |
| 4G2H Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor Deposited 2012-07-12 | 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
686–700（15 aa）
Fragment：unp residues 686-692
|
Not recorded | 0VQ (3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；Bis-Tris 0.1 M, lithium sulfate 1.6 M and magnesium sulfate 50 mM, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 6.5
|
Resolution 2.50 Å R-free 0.285 |
| 4HEE Crystal structure of PPARgamma in complex with compound 13 Deposited 2012-10-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain Y
676–700（25 aa）
Fragment：UNP Residues 676-700
|
Not recorded | 14R 5-benzyl-2-ethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3,5-dihydro-4H-imidazo[4,5-c]pyridin-4-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；100mM PIPES, 200mM Sodium Thiocyanate, 16% PEG4000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.258 |
| 4J5W Crystal Structure of the apo-PXR/RXRalpha LBD Heterotetramer Complex Deposited 2013-02-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
678–700（23 aa）
Chain B
678–700（23 aa）
Chain C
678–700（23 aa）
Chain D
678–700（23 aa）
|
Not recorded | MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277.15 K；16-20% PEG 8000, 0.1-0.2 M MgCl, 0.1 M bis-tris proprane, 0.02% sodium azide, pH 7.0, vapor diffusion, hanging drop, temperature 277.15K
|
Resolution 2.80 Å R-free 0.298 |
| 4J5X Crystal Structure of the SR12813-bound PXR/RXRalpha LBD Heterotetramer Complex Deposited 2013-02-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
678–700（23 aa）
Chain B
678–700（23 aa）
Chain C
678–700（23 aa）
Chain D
678–700（23 aa）
|
Not recorded | SRL [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277.15 K；16-20% PEG 8000, 0.1-0.2 M MgCl, 0.1 M bis-tris proprane, 0.02% sodium azide, pH 7.0, vapor diffusion, hanging drop, temperature 277.15K
|
Resolution 2.80 Å R-free 0.298 |
| 4JYG Crystal structure of RARbeta LBD in complex with agonist BMS411 [4-{[(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)carbonyl]amino}benzoic acid] Deposited 2013-03-29 | 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 F
686–698（13 aa）
Fragment：UNP residues 686-698
Chain G
686–698（13 aa）
Fragment：UNP residues 686-698
|
Not recorded | 1NY 4-{[(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)carbonyl]amino}benzoic acid × 2 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 FLC CITRATE ANION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；291 K；200 mM Tri Sodium Citrate pH 5.5, 25 % PEG 4000, VAPOR DIFFUSION, temperature 291K
|
Resolution 2.35 Å R-free 0.257 |
| 4JYH Crystal structure of RARbeta LBD in complex with selective agonist BMS948 [4-{[(8-phenylnaphthalen-2-yl)carbonyl]amino}benzoic acid] Deposited 2013-03-29 | 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
686–698（13 aa）
Fragment：UNP residues 686-698
Chain G
686–698（13 aa）
Fragment：UNP residues 686-698
|
Not recorded | JYH 4-{[(8-phenylnaphthalen-2-yl)carbonyl]amino}benzoic acid × 2 FLC CITRATE ANION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；291 K；200 mM Tri Sodium Citrate pH 5.5, 25% PEG 4000, VAPOR DIFFUSION, temperature 291K
|
Resolution 2.60 Å R-free 0.267 |
| 4JYI Crystal structure of RARbeta LBD in complex with selective partial agonist BMS641 [3-chloro-4-[(E)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid] Deposited 2013-03-29 | 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 F
686–698（13 aa）
Fragment：UNP residues 686-698
Chain G
686–698（13 aa）
Fragment：UNP residues 686-698
|
Not recorded | JYI 3-chloro-4-[(E)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid × 2 FLC CITRATE ANION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；291 K；200 mM Tri Sodium Citrate pH 5.5, 25% PEG 4000, VAPOR DIFFUSION, temperature 291K
|
Resolution 1.90 Å R-free 0.227 |
| 4MG5 Crystal structure of hERa-LBD (Y537S) in complex with chlordecone Deposited 2013-08-28 | 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 C
686–698（13 aa）
Fragment：coactivator peptide SRC-1 (UNP residues 686-698)
Chain D
686–698（13 aa）
Fragment：coactivator peptide SRC-1 (UNP residues 686-698)
|
Not recorded | GOL GLYCEROL × 3 A1AQV chlordecone × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；340 mM sodium chloride, 100 mM HEPES, 32% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.05 Å R-free 0.228 |
| 4MG6 Crystal structure of hERa-LBD (Y537S) in complex with benzylbutylphtalate Deposited 2013-08-28 | 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 C
686–698（13 aa）
Fragment：coactivator peptide SRC-1 (UNP residues 686-698)
Chain D
686–698（13 aa）
Fragment：coactivator peptide SRC-1 (UNP residues 686-698)
|
Not recorded | 27G benzyl butyl benzene-1,2-dicarboxylate × 2 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；320 mM sodium chloride, 100 mM HEPES, 26% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.10 Å R-free 0.230 |
| 4MG7 Crystal structure of hERa-LBD (Y537S) in complex with ferutinine Deposited 2013-08-28 | 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 C
686–698（13 aa）
Fragment：coactivator peptide SRC-1 (UNP residues 686-698)
Chain D
686–698（13 aa）
Fragment：coactivator peptide SRC-1 (UNP residues 686-698)
|
Not recorded | 27H ferutinine × 2 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；320 mM sodium chloride, 100 mM HEPES, 24% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.15 Å R-free 0.230 |
| 4MG8 Crystal structure of hERa-LBD (Y537S) in complex with alpha-zearalanol Deposited 2013-08-28 | 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 C
686–698（13 aa）
Fragment：coactivator peptide SRC-1 (UNP residues 686-698)
Chain D
686–698（13 aa）
Fragment：coactivator peptide SRC-1 (UNP residues 686-698)
|
Not recorded | 27J alpha-zearalanol × 2 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；300 mM sodium chloride, 100 mM HEPES, 24% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.85 Å R-free 0.213 |
| 4MG9 Crystal structure of hERa-LBD (Y537S) in complex with butylparaben Deposited 2013-08-28 | 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 F
686–698（13 aa）
Fragment：coactivator peptide SRC-1 (UNP residues 686-698)
Chain G
686–698（13 aa）
Fragment：coactivator peptide SRC-1 (UNP residues 686-698)
|
Not recorded | 27K butyl 4-hydroxybenzoate × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；300 mM sodium chloride, 100 mM HEPES, 28% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.00 Å R-free 0.237 |
| 4MGA Crystal structure of hERa-LBD (Y537S) in complex with 4-tert-octylphenol Deposited 2013-08-28 | 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 C
686–698（13 aa）
Fragment：coactivator peptide SRC-1 (UNP residues 686-698)
Chain D
686–698（13 aa）
Fragment：coactivator peptide SRC-1 (UNP residues 686-698)
|
Not recorded | 27L 4-(2,4,4-trimethylpentan-2-yl)phenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；320 mM sodium chloride, 100 mM HEPES, 28% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.80 Å R-free 0.222 |
| 4MGB Crystal structure of hERa-LBD (Y537S) in complex with TCBPA Deposited 2013-08-28 | 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 C
686–698（13 aa）
Fragment：coactivator peptide SRC-1 (UNP residues 686-698)
Chain D
686–698（13 aa）
Fragment：coactivator peptide SRC-1 (UNP residues 686-698)
|
Not recorded | XDH 4,4'-propane-2,2-diylbis(2,6-dichlorophenol) × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；320 mM sodium chloride, 100 mM HEPES, 30% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.85 Å R-free 0.250 |
| 4MGC Crystal structure of hERa-LBD (Y537S) in complex with benzophenone-2 Deposited 2013-08-28 | 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 F
686–698（13 aa）
Fragment：coactivator peptide SRC-1 (UNP residues 686-698)
Chain G
686–698（13 aa）
Fragment：coactivator peptide SRC-1 (UNP residues 686-698)
|
Not recorded | 27M bis(2,4-dihydroxyphenyl)methanone × 2 GOL GLYCEROL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；300 mM sodium chloride, 100 mM HEPES, 28% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.15 Å R-free 0.240 |
| 4MGD Crystal structure of hERa-LBD (Y537S) in complex with HPTE Deposited 2013-08-28 | 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 F
686–698（13 aa）
Fragment：coactivator peptide SRC-1 (UNP residues 686-698)
Chain G
686–698（13 aa）
Fragment：coactivator peptide SRC-1 (UNP residues 686-698)
|
Not recorded | 27N 4,4'-(2,2,2-trichloroethane-1,1-diyl)diphenol × 2 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；340 mM sodium chloride, 100 mM HEPES, 24% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.90 Å R-free 0.234 |
| 4RUJ Crystal structure of zVDR L337H mutant-VD complex Deposited 2014-11-20 | 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 B
686–700（15 aa）
Fragment：UNP residues 686-700
|
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 × 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 2.35 Å R-free 0.255 |
| 4RUP Crystal structure of zVDR L337H mutant-Gemini72 complex Deposited 2014-11-21 | 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 B
686–700（15 aa）
Fragment：UNP residues 686-700
|
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；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 2.75 Å R-free 0.253 |
| 4UDA MR in complex with dexamethasone Deposited 2014-12-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1427–1441（15 aa）
Fragment：RESIDUES 1427-1441
|
Not recorded | GOL GLYCEROL × 1 DEX DEXAMETHASONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；30% PEG4000, 0.1M NACL, 0.2M PIPES PH 7.5
|
Resolution 2.03 Å R-free 0.240 |
| 4UDB MR in complex with desisobutyrylciclesonide Deposited 2014-12-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1427–1441（15 aa）
Fragment：RESIDUES 1427-1441
|
Not recorded | DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1 CV7 DESISOBUYTYRYL CICLESONIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；18% PEG4K, 0.14M LISO4, 85MM TRIS PH 8.5, 15% GLYCEROL
|
Resolution 2.36 Å R-free 0.218 |
| 4Y29 Identification of a novel PPARg ligand that regulates metabolism Deposited 2015-02-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1432–1441（10 aa）
|
Not recorded | CTI 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293.15 K；0.2 M Sodium thiocyanate, 20% w/v PEG 3350
|
Resolution 1.98 Å R-free 0.219 |
| 5A86 Structure of pregnane X receptor in complex with a Sphingosine 1- Phosphate Receptor 1 Antagonist Deposited 2015-07-13 | 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 C
682–698（17 aa）
Chain D
682–698（17 aa）
|
Not recorded | D7E 4-chloro-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.25 Å R-free 0.256 |
| 5AVI Crystal structure of LXRalpha in complex with tert-butyl benzoate analog, compound 4 Deposited 2015-06-16 | 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
676–700（25 aa）
Fragment：UNP residues 676-700
Chain D
676–700（25 aa）
Fragment：UNP residues 676-700
|
Not recorded | 4KM tert-butyl 2-[[4-[ethanoyl(methyl)amino]phenoxy]methyl]-5-(trifluoromethyl)benzoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；PEG2000MME, ammonium sulfate, Tris-HCl
|
Resolution 2.70 Å R-free 0.274 |
| 5AVL Crystal structure of LXRalpha in complex with tert-butyl benzoate analog, compound 32b Deposited 2015-06-17 | 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
676–700（25 aa）
Fragment：UNP residues 676-700
|
Not recorded | 4KQ 2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；PEG2000MME, ammonium sulfate, Tris-HCl
|
Resolution 2.80 Å R-free 0.243 |
| 5AZT Ternary complex of hPPARalpha ligand binding domain, 17-oxoDHA and a SRC1 peptide Deposited 2015-10-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
683–697（15 aa）
|
Not recorded | 4M5 (4~{Z},7~{Z},10~{Z},13~{Z},19~{Z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；293 K；0.1M HEPES, 35% PEG3350
|
Resolution 3.45 Å R-free 0.308 |
| 5DV3 Human PPARgamma ligand binding dmain complexed with SB1405 in a covalent bonded form 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 × 2 PDB declaration: dimeric |
Chain B
685–700（16 aa）
Fragment：UNP RESIDUES 685-700
|
Not recorded | B05 N-[2-(benzyloxy)phenyl]-3-nitrobenzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；2.2M sodium malonate pH 7.0
|
Resolution 2.75 Å R-free 0.230 |
| 5DV6 Human PPARgamma ligand binding dmain complexed with SB1404 in a covalent bonded form 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 × 2 PDB declaration: dimeric |
Chain B
685–700（16 aa）
Fragment：UNP RESIDUES 685-700
|
Not recorded | B4H N-methylidene-3-nitrobenzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；2.2M sodium malonate pH 7.0
|
Resolution 2.80 Å R-free 0.244 |
| 5DV8 Human PPARgamma ligand binding dmain complexed with SB1451 in a covalent bonded form 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 × 2 PDB declaration: dimeric |
Chain B
685–700（16 aa）
Fragment：UNP RESIDUES 685-700
|
Not recorded | T51 N-[2-({2-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；297 K；0.19M sodium acetate trihydrate, 0.1M sodium cacodylate pH 6.5, 26% PEG 8000
|
Resolution 2.75 Å R-free 0.243 |
| 5DVC Human PPARgamma ligand binding dmain complexed with SB1453 in a covalent bonded form 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 × 2 PDB declaration: dimeric |
Chain B
685–700（16 aa）
Fragment：UNP RESIDUES 685-700
|
Not recorded | T53 N-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；2.2 M sodium malonate pH 7.0
|
Resolution 2.30 Å R-free 0.241 |
| 5DWL Human PPARgamma ligand binding dmain in complex with SR1664 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 × 2 PDB declaration: dimeric |
Chain B
685–700（16 aa）
Fragment：UNP RESIDUES 685-700
|
Not recorded | 3JX 4'-[(2,3-dimethyl-5-{[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；2.2 M sodium malonate pH7.0
|
Resolution 2.20 Å R-free 0.238 |
| 5HJS Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease Deposited 2016-01-13 | 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 C
676–700（25 aa）
Chain D
676–700（25 aa）
|
Not recorded | 668 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；12% PEG MME 2000, 0.1M Ammonium Sulfate, 0.1M Tris buffer pH 7.8
|
Resolution 1.72 Å R-free 0.238 |
| 5JI0 PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid Deposited 2016-04-21 | 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 E
676–700（25 aa）
Chain F
676–700（25 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 9CR (9cis)-retinoic acid × 1 BRL 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL) × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；296 K；Crystals grew in the dark at room temperature from 0.5 + 0.5 uL sitting drops equilibrated over a reservoir containing 20-24% PEG3350 and 0.02M Na Citrate
|
Resolution 1.98 Å R-free 0.246 |
| 5JI0 PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid Deposited 2016-04-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain F
676–700（25 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 9CR (9cis)-retinoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；296 K；Crystals grew in the dark at room temperature from 0.5 + 0.5 uL sitting drops equilibrated over a reservoir containing 20-24% PEG3350 and 0.02M Na Citrate
|
Resolution 1.98 Å R-free 0.246 |
| 5JI0 PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid Deposited 2016-04-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
676–700（25 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | BRL 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL) × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；296 K；Crystals grew in the dark at room temperature from 0.5 + 0.5 uL sitting drops equilibrated over a reservoir containing 20-24% PEG3350 and 0.02M Na Citrate
|
Resolution 1.98 Å R-free 0.246 |
| 5JMM Crystal structure of hERa-LBD (Y537S) in complex with biochanin A Deposited 2016-04-29 | 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 F
686–698（13 aa）
Fragment：UNP residues 686-698
Chain G
686–698（13 aa）
Fragment：UNP residues 686-698
|
Not recorded | QSO 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one × 2 GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；250 mM NaCl
100 mM Hepes
16% PEG3350
5% DMSO
10 mM b-mercaptoethanol
|
Resolution 2.10 Å R-free 0.216 |
| 5MX7 1a,20S-dihydroxyvitamin D3 VDR complex Deposited 2017-01-21 | 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 B1
686–700（15 aa）
Fragment：UNP residues 686-700
|
Not recorded | D3V 1a,20S-dihydroxyvitamin D3 × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；295 K；BisTris pH 6.5, 1.6 M lithium sulfate and 50 mM magnesium sulfate
|
Resolution 1.98 Å R-free 0.225 |
| 5NMA Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain Deposited 2017-04-05 | 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 B
686–700（15 aa）
Fragment：UNP residues 686-700
|
Not recorded | 9CW (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{S})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-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；0.1 M BTP pH 7.0, 3 M NaOAc
|
Resolution 2.80 Å R-free 0.272 |
| 5NMB Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain Deposited 2017-04-05 | 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 B2
686–700（15 aa）
Fragment：UNP residues 686-700
|
Not recorded | 9CZ (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{R})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-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；0.1 M BTP pH 7.0, 3 M NaOAc
|
Resolution 2.50 Å R-free 0.260 |
| 5NWM Insight into the molecular recognition mechanism of the coactivator NCoA1 by STAT6 Deposited 2017-05-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
257–385（129 aa）
Fragment：UNP residues 257-385
|
Mutation：K343R | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 7；309 K；Ionic strength (raw mmCIF value) 150；Pressure 1
NMR sample composition
50 mM HEPES, 150 mM sodium chloride, 10 % D2O, 1 mM [U-99% 13C; U-99% 15N] STAT6, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
1 mM [U-99% 13C; U-99% 15N] STAT6, 0.7 mM NCoA1, 50 mM HEPES, 150 mM sodium chloride, 10 % D2O, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.7 mM [U-99% 13C; U-99% 15N] NCoA1, 1 mM STAT6, 50 mM HEPES, 150 mM sodium chloride, 10 % D2O, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
1 mM [U-99% 15N] STAT6, 0.7 mM NCoA1, 50 mM HEPES, 150 mM sodium chloride, 10 % D2O, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.7 mM [U-99% 15N] NCoA1, 1 mM STAT6, 50 mM HEPES, 150 mM sodium chloride, 10 % D2O, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
1 mM [U-99% 15N] STAT6, 50 mM HEPES, 150 mM sodium chloride, 10 % D2O, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
1 mM [U-99% 13C; U-99% 15N] STAT6, 0.7 mM NCoA1, 50 mM HEPES, 150 mM sodium chloride, 100 % D2O, 100% D2O | 100% D2O
NMR sample composition
0.7 mM [U-99% 13C; U-99% 15N] NCoA1, 1 mM STAT6, 50 mM HEPES, 150 mM sodium chloride, 100 % D2O, 100% D2O | 100% D2O
|
Resolution not provided |
| 5OW7 VDR complex Deposited 2017-08-31 | 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 B
686–700（15 aa）
Fragment：UNP residues 686-700
|
Not recorded | AYK (3~{S})-3-[(1~{S},3~{a}~{S},4~{E},7~{a}~{S})-7~{a}-methyl-4-[(2~{Z})-2-[(5~{S})-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-3-oxidanyl-~{N}-propan-2-yl-butanamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；50 mM Bis-Tris pH 6.5, 1.6 M lithium sulfate and 50 mM magnesium sulfate
|
Resolution 2.10 Å R-free 0.227 |
| 5OW9 Vitamin D receptor complex Deposited 2017-08-31 | 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 B
686–700（15 aa）
Fragment：UNP residues 686-700
|
Not recorded | AYT (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；50 mM Bis-Tris pH 6.5, 1.6 M lithium sulfate and 50 mM magnesium sulfate
|
Resolution 2.40 Å R-free 0.246 |
| 5OWD Vitamin D receptor complex Deposited 2017-08-31 | 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 B
686–700（15 aa）
Fragment：UNP residues 686-700
|
Not recorded | B0B (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；50 mM Bis-Tris pH 6.5, 1.6 M lithium sulfate and 50 mM magnesium sulfate
|
Resolution 2.15 Å R-free 0.219 |
| 5X0R Crystal Structure of PXR LBD Complexed with SJB7 Deposited 2017-01-23 | 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
676–700（25 aa）
Chain D
676–700（25 aa）
|
Not recorded | 4WH 4-[(4-tert-butylphenyl)sulfonyl]-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Tris-HCl, imidazole, isopropanol,sodium chloride, glycerol, EDTA, pH 7.2-7.8, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K
|
Resolution 2.67 Å R-free 0.252 |
| 5X8U Crystal Structure of the wild Human ROR gamma Ligand Binding Domain. Deposited 2017-03-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
686–700（15 aa）
Fragment：UNP residues 686-700
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.1M Sodium acetate pH8.0, 4M ammonium acetate
|
Resolution 2.00 Å R-free 0.247 |
| 5X8W Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain. Deposited 2017-03-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
686–700（15 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.1M Sodium acetate pH8.0, 4M ammonium acetate
|
Resolution 2.30 Å R-free 0.230 |
| 5Y44 A novel moderator XD4 for bile acid receptor Deposited 2017-08-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
745–755（11 aa）
|
Not recorded | XD4 [(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-azanyl-3-methyl-benzoate × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293.15 K；0.1M Magnesium sulfate,
25% w/v polyethylene glycol 8000
|
Resolution 2.35 Å R-free 0.271 |
| 5YCN Human PPARgamma ligand binding domain complexed with Lobeglitazone Deposited 2017-09-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
685–700（16 aa）
Fragment：UNP RESIDUES 685-700
|
Not recorded | 8LX (5S)-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；296 K；1.6 M sodium citrate tribasic dihydrate (pH 6.5)
|
Resolution 2.15 Å R-free 0.228 |
| 5YCP Human PPARgamma ligand binding domain complexed with Rosiglitazone Deposited 2017-09-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
685–700（16 aa）
Fragment：UNP RESIDUES 685-700
|
Not recorded | BRL 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL) × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；296 K；2.2 M sodium malonate (pH 7.0)
|
Resolution 2.00 Å R-free 0.233 |
| 6BNS STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide and Compound 25a AKA BICYCLIC HEXAFLUOROISOPROPYL 2 ALCOHOL SULFONAMIDES Deposited 2017-11-17 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
678–710（33 aa）
Chain B
678–710（33 aa）
|
Not recorded | XGH 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 10-15%(V/V)PEG10K.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.56 Å R-free 0.246 |
| 6FO7 Vitamin D nuclear receptor complex 3 Deposited 2018-02-06 | 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 B
686–700（15 aa）
|
Not recorded | LX3 (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；BisTris pH 6.5, 1.6 M lithium sulfate and 50 mM magnesium sulfate
|
Resolution 2.59 Å R-free 0.230 |
| 6GEV Mineralocorticoid receptor in complex with (s)-13 Deposited 2018-04-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1427–1441（15 aa）
|
Not recorded | GOL GLYCEROL × 3 EWN 6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.9 M (NH4)2SO4, 3.5% 1,4-butanediol, 0.1 M CHES pH 9.5
|
Resolution 1.54 Å R-free 0.190 |
| 6GG8 Mineralocorticoid receptor in complex with (s)-13 Deposited 2018-05-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1427–1441（15 aa）
|
Not recorded | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 EY8 [(3~{R})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]methanesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.9M (NH4)2SO4, 0.1 M CHES pH9.5, 10% (v/v) of condition C8 of the Morpheus Screen (Molecular Dimension)
|
Resolution 1.80 Å R-free 0.228 |
| 6HTY PXR in complex with P2X4 inhibitor compound 25 Deposited 2018-10-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
678–700（23 aa）
|
Mutation：K129G,K129G | GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；1 microliter protein at 12.1 mg/ml (in 20 millimolar Tris pH 7.8, 250 millimolar NaCl, 2.5 millimolar EDTA, 5% (v/v) glycerol, 5 mM DTT), preincubated with 10 millimolar compound 15 (from 200 millimolar stock in DMSO), mixed with 1 microliter of reservoir (100 mM imidazole pH 8.0, 17 % (v/v) MPD). Crystals additionally soaked in 20 millimolar compound 15 prior to data collection. cryo buffer 34% (v/v) MPD supplemented with 20 millimolar compound 15
|
Resolution 2.22 Å R-free 0.226 |
| 6HTY PXR in complex with P2X4 inhibitor compound 25 Deposited 2018-10-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
678–700（23 aa）
|
Mutation：K129G,K129G | DMS DIMETHYL SULFOXIDE × 2 GRH (2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；1 microliter protein at 12.1 mg/ml (in 20 millimolar Tris pH 7.8, 250 millimolar NaCl, 2.5 millimolar EDTA, 5% (v/v) glycerol, 5 mM DTT), preincubated with 10 millimolar compound 15 (from 200 millimolar stock in DMSO), mixed with 1 microliter of reservoir (100 mM imidazole pH 8.0, 17 % (v/v) MPD). Crystals additionally soaked in 20 millimolar compound 15 prior to data collection. cryo buffer 34% (v/v) MPD supplemented with 20 millimolar compound 15
|
Resolution 2.22 Å R-free 0.226 |
| 6ICJ Crystal structure of PPARgamma with compound BR102375K Deposited 2018-09-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
676–700（25 aa）
|
Not recorded | GOL GLYCEROL × 2 A0L 2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4(3H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M NH4 Acetate, 0.1 M HEPES 7.5 pH, 25 %w/v PEG 3350
|
Resolution 2.48 Å R-free 0.282 |
| 6IJR Human PPARgamma ligand binding domain complexed with SB1495 Deposited 2018-10-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
685–700（16 aa）
|
Not recorded | A9C N-{[3-({[(1S,2R)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；60% (v/v) Tacsimate
|
Resolution 2.85 Å R-free 0.266 |
| 6IJR Human PPARgamma ligand binding domain complexed with SB1495 Deposited 2018-10-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
685–700（16 aa）
|
Not recorded | A9C N-{[3-({[(1S,2R)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；60% (v/v) Tacsimate
|
Resolution 2.85 Å R-free 0.266 |
| 6IJS Human PPARgamma ligand binding domain complexed with SB1494 Deposited 2018-10-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
685–700（16 aa）
|
Not recorded | A9F N-{[3-({[(1R,2S)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；295 K；2.2 M sodium malonate
|
Resolution 2.15 Å R-free 0.241 |
| 6ILQ Crystal structure of PPARgamma with compound BR101549 Deposited 2018-10-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
676–700（25 aa）
|
Not recorded | AE0 ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M MgCl2, 0.1 M TRIS 8.5 pH, 27 %w/v PEG 3350
|
Resolution 2.41 Å R-free 0.303 |
| 6ITM Crystal structure of FXR in complex with agonist XJ034 Deposited 2018-11-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
744–757（14 aa）
|
Not recorded | AWL 1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.2M Ammonium acetate, 0.1M Bis-Tris pH 6.5, 25% w/v Polyethylene glycol 3350
|
Resolution 2.50 Å R-free 0.242 |
| 6ITM Crystal structure of FXR in complex with agonist XJ034 Deposited 2018-11-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
744–757（14 aa）
|
Not recorded | AWL 1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.2M Ammonium acetate, 0.1M Bis-Tris pH 6.5, 25% w/v Polyethylene glycol 3350
|
Resolution 2.50 Å R-free 0.242 |
| 6JQ7 The ligand-free structure of human PPARgamma LBD in the presence of the SRC-1 coactivator peptide Deposited 2019-03-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
685–700（16 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；296 K；60% (v/v) Tacsimate (pH 7.0)
|
Resolution 2.55 Å R-free 0.257 |
| 6KTM The ligand-free structure of human PPARgamma ligand-binding domain R288A mutant in the presence of the SRC-1 coactivator peptide Deposited 2019-08-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
685–700（16 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；296 K；2.2 M sodium malonate (pH 7.0)
|
Resolution 2.70 Å R-free 0.258 |
| 6KTN Human PPARgamma ligand-binding domain R288A mutant in complex with imatinib Deposited 2019-08-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
685–700（16 aa）
|
Not recorded | STI 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；296 K；2.2 M sodium malonate (pH 7.0)
|
Resolution 2.75 Å R-free 0.256 |
| 6NX1 STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC CO-ACTIVATOR PEPTIDE AND COMPOUND-3 AKA 1,1,1,3,3,3-HEXAFLUORO-2-{4-[1-(4- LUOROBENZENESULFONYL)CYCLOPENTYL]PHENYL}PROPAN-2-OL Deposited 2019-02-07 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
678–710（33 aa）
Fragment：LIGAND BINDING DOMAIN
Chain B
678–710（33 aa）
Fragment：LIGAND BINDING DOMAIN
|
Not recorded | L7D 1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 10-15%(V/V)PEG10K, Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.27 Å R-free 0.240 |
| 6NX1 STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC CO-ACTIVATOR PEPTIDE AND COMPOUND-3 AKA 1,1,1,3,3,3-HEXAFLUORO-2-{4-[1-(4- LUOROBENZENESULFONYL)CYCLOPENTYL]PHENYL}PROPAN-2-OL Deposited 2019-02-07 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
678–710（33 aa）
Fragment：LIGAND BINDING DOMAIN
Chain B
678–710（33 aa）
Fragment：LIGAND BINDING DOMAIN
|
Not recorded | L7D 1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 10-15%(V/V)PEG10K, Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.27 Å R-free 0.240 |
| 6P9F Crystal structure of RAR-related orphan receptor C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) in complex with a phenyl (3-phenylpyrrolidin-3-yl)sulfone inhibitor Deposited 2019-06-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
683–696（14 aa）
Fragment：ligand-binding domain (UNP residues 265-508) fused to SRC peptide (UNP residues 683-696)
|
Not recorded | O5A trans-4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidine-1-carbonyl}cyclohexane-1-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；20-26% PEG3350, 0.2 M magnesium chloride, 0.1 M Bis-Tris pH 5.5-6.5
|
Resolution 2.80 Å R-free 0.223 |
| 6P9F Crystal structure of RAR-related orphan receptor C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) in complex with a phenyl (3-phenylpyrrolidin-3-yl)sulfone inhibitor Deposited 2019-06-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
683–696（14 aa）
Fragment：ligand-binding domain (UNP residues 265-508) fused to SRC peptide (UNP residues 683-696)
|
Not recorded | O5A trans-4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidine-1-carbonyl}cyclohexane-1-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；20-26% PEG3350, 0.2 M magnesium chloride, 0.1 M Bis-Tris pH 5.5-6.5
|
Resolution 2.80 Å R-free 0.223 |
| 6SSQ Crystal structure of RARbeta LBD in complex with LG 100754 Deposited 2019-09-09 | 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 F
686–698（13 aa）
Chain G
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 FLC CITRATE ANION × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；200 mM Tri Sodium Citrate pH 5.5, 25 % PEG 4000
|
Resolution 2.30 Å R-free 0.208 |
| 6T2M VDR-ZK168281 complex Deposited 2019-10-09 | 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
686–700（15 aa）
|
Not recorded | M9Q ethyl (~{Z})-3-[1-[(~{E},1~{R},4~{R})-4-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[(2~{Z})-2-[(3~{S},5~{R})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-oxidanyl-pent-2-enyl]cyclopropyl]prop-2-enoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；50 mM Bis-Tris pH 6.5, 1.6 M lithium sulfate and 50 mM magnesium sulfate
|
Resolution 3.00 Å R-free 0.259 |
| 6TFI PXR IN COMPLEX WITH THROMBIN INHIBITOR COMPOUND 17 Deposited 2019-11-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
681–700（20 aa）
|
Mutation：K129G | GOL GLYCEROL × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；1 MICROLITER PROTEIN AT 12.1 MG/ML (IN 20 MILLIMOLAR TRIS PH 7.8, 250 MILLIMOLAR NACL, 2.5 MILLIMOLAR EDTA, 5% (V/V) GLYCEROL, 5 MM DTT), PREINCUBATED WITH 25 MILLIMOLAR COMPOUND 17 (FROM 500 MILLIMOLAR STOCK IN DMSO) for 24 hours at 277 K, MIXED WITH 1 MICROLITER OF RESERVOIR (100 MILLIMOLAR IMIDAZOLE PH 8.0, 20 % (V/V) MPD). CRYO BUFFER 100 MILLIMOLAR IMIDAZOLE PH 8.0, 30 % (V/V) MPD
|
Resolution 1.85 Å R-free 0.199 |
| 6TFI PXR IN COMPLEX WITH THROMBIN INHIBITOR COMPOUND 17 Deposited 2019-11-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
681–700（20 aa）
|
Mutation：K129G | GOL GLYCEROL × 3 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 DMS DIMETHYL SULFOXIDE × 2 N6H [2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；1 MICROLITER PROTEIN AT 12.1 MG/ML (IN 20 MILLIMOLAR TRIS PH 7.8, 250 MILLIMOLAR NACL, 2.5 MILLIMOLAR EDTA, 5% (V/V) GLYCEROL, 5 MM DTT), PREINCUBATED WITH 25 MILLIMOLAR COMPOUND 17 (FROM 500 MILLIMOLAR STOCK IN DMSO) for 24 hours at 277 K, MIXED WITH 1 MICROLITER OF RESERVOIR (100 MILLIMOLAR IMIDAZOLE PH 8.0, 20 % (V/V) MPD). CRYO BUFFER 100 MILLIMOLAR IMIDAZOLE PH 8.0, 30 % (V/V) MPD
|
Resolution 1.85 Å R-free 0.199 |
| 6U25 CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS- RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC INVERSE AGONIST Deposited 2019-08-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
683–696（14 aa）
Fragment：LIGAND-BINDING DOMAIN (UNP RESIDUES 265-508) FUSED TO SRC PEPTIDE (UNP RESIDUES 683-696)
|
Not recorded | O5B trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；20-26% PEG3350, 0.2 M MAGNESIUM CHLORIDE, 0.1 M BIS-TRIS PH 5.5-6.5
|
Resolution 2.61 Å R-free 0.247 |
| 6W9H SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS Deposited 2020-03-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
683–696（14 aa）
|
Not recorded | TKJ 4-{(3R)-3-[4-(benzyloxy)phenyl]-3-[(4-fluorophenyl)sulfonyl]pyrrolidine-1-carbonyl}-1lambda~6~-thiane-1,1-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；protein at 8-10mg/ml, with 0.2M MgCl2, 22% PEG3350, 0.1M Bis-Tris pH 5.5
|
Resolution 2.00 Å R-free 0.258 |
| 6W9I SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS Deposited 2020-03-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
683–696（14 aa）
|
Not recorded | Z7D 1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；protein at 8-10mg/ml, with 0.2M MgCl2, 22% PEG3350, 0.1M Bis-Tris pH 5.5
|
Resolution 1.61 Å R-free 0.235 |
| 6XP9 STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide IN COMPLEX WITH (S,S)-1 Deposited 2020-07-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
678–710（33 aa）
Fragment：Ligand Binding Domain tethered with SRC co-activator peptide
|
Not recorded | QCG (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；296 K；0.1 M Ammonium acetate, 0.1 M Sodium HEPES pH 7.5, 18-20 % w/v PEG 4000.Crystals were cryoprotected by supplementing the mother liquor with 20% (v/v) Glycerol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.27 Å R-free 0.220 |
| 6XP9 STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide IN COMPLEX WITH (S,S)-1 Deposited 2020-07-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
678–710（33 aa）
Fragment：Ligand Binding Domain tethered with SRC co-activator peptide
|
Not recorded | QCG (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；296 K；0.1 M Ammonium acetate, 0.1 M Sodium HEPES pH 7.5, 18-20 % w/v PEG 4000.Crystals were cryoprotected by supplementing the mother liquor with 20% (v/v) Glycerol and harvested by flash-cooling in liquid nitrogen
|
Resolution 2.27 Å R-free 0.220 |
| 7AOS crystal structure of the RARalpha/RXRalpha ligand binding domain heterodimer in complex with a fragment of SRC1 coactivator Deposited 2020-10-15 | 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 C
686–712（27 aa）
Chain D
686–712（27 aa）
|
Not recorded | LG2 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID × 1 GOL GLYCEROL × 1 EQN 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；24% PEG 3350, 0.2M Na acetate, 0.1M Bis Tris Propane pH 7.0
|
Resolution 2.55 Å R-free 0.262 |
| 7B39 Allene-Based Design of a Noncalcemic Vitamin D Receptor Agonist Deposited 2020-11-29 | 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 B
686–700（15 aa）
|
Not recorded | T0H (1R,3S,Z)-5-(2-((3aS,7aS,E)-1-(6-hydroxy-6-methylhept-1-en-1-ylidene)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol × 2 ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；50 mM BisTris pH 6.5, 1.6 M lithium sulfate and 50 mM magnesium sulfate
|
Resolution 2.13 Å R-free 0.247 |
| 7BNS VDR complex with BXL-62 Deposited 2021-01-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B2
686–700（15 aa）
|
Not recorded | U5W 1,25-Dihydroxy-16-ene-20-cyclopropyl-vitamin D3 × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；273 K；50 mM Bis-Tris pH 6.5, 1.6 M lithium sulfate and 50 mM magnesium sulfate
|
Resolution 2.70 Å R-free 0.260 |
| 7BNU VDR complex with BXL-62 Deposited 2021-01-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B2
686–700（15 aa）
|
Not recorded | U5W 1,25-Dihydroxy-16-ene-20-cyclopropyl-vitamin D3 × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；273 K；50 mM Bis-Tris pH 6.5, 1.6 M lithium sulfate and 50 mM magnesium sulfate
|
Resolution 2.40 Å R-free 0.261 |
| 7BO6 VDR complex with LCA derivative Deposited 2021-01-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–700（15 aa）
|
Not recorded | FKC (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；50 mM Bis-Tris pH 6.5, 1.6 M lithium sulfate and 50 mM magnesium sulfate
|
Resolution 2.86 Å R-free 0.263 |
| 7BPY X-ray structure of human PPARalpha ligand binding domain-clofibric acid-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization Deposited 2020-03-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
683–697（15 aa）
|
Not recorded | E0O 2-(4-chloranylphenoxy)-2-methyl-propanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；0.1 M Tris (pH 8.5), 30 %(w/v) PEG3350
|
Resolution 2.09 Å R-free 0.215 |
| 7BPY X-ray structure of human PPARalpha ligand binding domain-clofibric acid-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization Deposited 2020-03-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
683–697（15 aa）
|
Not recorded | E0O 2-(4-chloranylphenoxy)-2-methyl-propanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；0.1 M Tris (pH 8.5), 30 %(w/v) PEG3350
|
Resolution 2.09 Å R-free 0.215 |
| 7BPZ X-ray structure of human PPARalpha ligand binding domain-bezafibrate-SRC1 coactivator peptide co-crystals obtained by soaking Deposited 2020-03-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
683–697（15 aa）
|
Not recorded | PEM 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；0.1 M Tris (pH 8.5), 25 %(w/v) PEG3350
|
Resolution 2.43 Å R-free 0.242 |
| 7BPZ X-ray structure of human PPARalpha ligand binding domain-bezafibrate-SRC1 coactivator peptide co-crystals obtained by soaking Deposited 2020-03-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
683–697（15 aa）
|
Not recorded | PEM 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；0.1 M Tris (pH 8.5), 25 %(w/v) PEG3350
|
Resolution 2.43 Å R-free 0.242 |
| 7BQ0 X-ray structure of human PPARalpha ligand binding domain-fenofibric acid-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization Deposited 2020-03-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
683–697（15 aa）
|
Not recorded | F5A 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；0.1M Tris (pH 8.5), 25 %(w/v) PEG3350
|
Resolution 1.77 Å R-free 0.217 |
| 7BQ0 X-ray structure of human PPARalpha ligand binding domain-fenofibric acid-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization Deposited 2020-03-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
683–697（15 aa）
|
Not recorded | F5A 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；0.1M Tris (pH 8.5), 25 %(w/v) PEG3350
|
Resolution 1.77 Å R-free 0.217 |
| 7BQ1 X-ray structure of human PPARalpha ligand binding domain-intrinsic fatty acid (E. coli origin)-SRC1 coactivator peptide co-crystals obtained by co-crystallization Deposited 2020-03-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
683–697（15 aa）
|
Not recorded | PLM PALMITIC ACID × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；0.1 M Tris (pH 8.0), 25 %(w/v) PEG3350
|
Resolution 1.52 Å R-free 0.213 |
| 7BQ2 X-ray structure of human PPARalpha ligand binding domain-pemafibrate-SRC1 coactivator peptide co-crystals obtained by soaking Deposited 2020-03-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
683–697（15 aa）
|
Not recorded | P7F (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；0.1M Tris (pH 8.0), 25%(w/v) PEG3350
|
Resolution 1.52 Å R-free 0.206 |
| 7BQ3 X-ray structure of human PPARalpha ligand binding domain-GW7647-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization Deposited 2020-03-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
683–697（15 aa）
|
Not recorded | 2VN 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；0.1M Tris (pH 8.5), 25%(w/v) PEG3350
|
Resolution 1.98 Å R-free 0.237 |
| 7BQ4 X-ray structure of human PPARalpha ligand binding domain-eicosapentaenoic acid (EPA)-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization Deposited 2020-03-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
683–697（15 aa）
|
Not recorded | EPA 5,8,11,14,17-EICOSAPENTAENOIC ACID × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；0.1 M Tris (pH 8.0), 30 %(w/v) PEG3350
|
Resolution 1.62 Å R-free 0.214 |
| 7CXF The ligand-free structure of human PPARgamma LBD C285Y mutant in the presence of the SRC-1 coactivator peptide Deposited 2020-09-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
685–700（16 aa）
|
Not recorded | MLA MALONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；295 K；2.2 M sodium malonate (pH 7.0)
|
Resolution 2.35 Å R-free 0.269 |
| 7CXH The ligand-free structure of human PPARgamma LBD Q286E mutant in the presence of the SRC-1 coactivator peptide Deposited 2020-09-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
685–700（16 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；295 K；2.2 M sodium malonate (pH 7.0)
|
Resolution 2.30 Å R-free 0.257 |
| 7CXI The ligand-free structure of human PPARgamma LBD F287Y mutant in the presence of the SRC-1 coactivator peptide Deposited 2020-09-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
685–700（16 aa）
|
Not recorded | MLI MALONATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；295 K；2.2 M sodium malonate (pH 7.0)
|
Resolution 2.30 Å R-free 0.276 |
| 7CXJ The ligand-free structure of human PPARgamma LBD R288C mutant in the presence of the SRC-1 coactivator peptide Deposited 2020-09-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
685–700（16 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；295 K；2.2 M sodium malonate (pH 7.0)
|
Resolution 2.65 Å R-free 0.275 |
| 7CXK The ligand-free structure of human PPARgamma LBD R288H mutant in the presence of the SRC-1 coactivator peptide Deposited 2020-09-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
685–700（16 aa）
|
Not recorded | MLI MALONATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；295 K；2.2 M sodium malonate (pH 7.0)
|
Resolution 2.20 Å R-free 0.264 |
| 7CXL The ligand-free structure of human PPARgamma LBD S289C mutant in the presence of the SRC-1 coactivator peptide Deposited 2020-09-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
685–700（16 aa）
|
Not recorded | MLA MALONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；295 K；2.2 M sodium malonate (pH 7.0)
|
Resolution 2.70 Å R-free 0.255 |
| 7JYM CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC SULFONE INVERSE AGONIST Deposited 2020-08-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
683–696（14 aa）
Fragment：;LIGAND-BINDING DOMAIN (UNP RESIDUES 265-508) FUSED TO SRC PEPTIDE (UNP RESIDUES 683-696),LIGAND-BINDING DOMAIN (UNP RESIDUES 265-508) FUSED TO SRC PEPTIDE (UNP RESIDUES 683-696)
;
|
Not recorded | Z8I (3R,5S)-3-fluoro-5-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；20-26% PEG3350, 0.2 M MAGNESIUM
CHLORIDE, 0.1 M BIS-TRIS PH 5.5-6.5, VAPOR DIFFUSION, HANGING
DROP, TEMPERATURE 298K
|
Resolution 3.05 Å R-free 0.264 |
| 7KXD CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL Deposited 2020-12-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
683–696（14 aa）
|
Not recorded | Z7G {3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；22% PEG3350,
0.2 M MAGNESIUM CHLORIDE, 0.1 M BIS-TRIS PH 5.5,
VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K
|
Resolution 1.62 Å R-free 0.239 |
| 7KXE CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL Deposited 2020-12-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
683–696（14 aa）
|
Not recorded | Z7H N-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；22% PEG3350,
0.2 M MAGNESIUM CHLORIDE, 0.1 M BIS-TRIS PH 5.5,
VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K
|
Resolution 2.42 Å R-free 0.241 |
| 7KXF CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL Deposited 2020-12-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
683–696（14 aa）
|
Not recorded | Z7I N-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；22% PEG3350,
0.2 M MAGNESIUM CHLORIDE, 0.1 M BIS-TRIS PH 5.5,
VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K
|
Resolution 2.14 Å R-free 0.234 |
| 7OXZ VDR complex with a side-chain hydroxylated derivative of lithocholic acid Deposited 2021-06-23 | 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 B
686–700（15 aa）
|
Not recorded | 2UI (3R,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；50 mM Bis-Tris pH 6.5, 1.6 M lithium sulfate and 50 mM magnesium sulfate
|
Resolution 2.20 Å R-free 0.254 |
| 7OY4 VDR complex of a side-chain hydroxylated derivatives of lithocholic acid Deposited 2021-06-23 | 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 B
686–700（15 aa）
|
Not recorded | 2WV (3S,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；290 K；50 mM Bis-Tris pH 6.5, 1.6 M lithium sulfate and 50 mM magnesium sulfate
|
Resolution 2.00 Å R-free 0.238 |
| 7QPI Structure of lamprey VDR in complex with 1,25D3 Deposited 2022-01-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain U
686–698（13 aa）
|
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 MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；PEG 3350 25%, Tris 0.1M pH 8.5, magnesium chloride 0.2M
|
Resolution 2.50 Å R-free 0.256 |
| 7WGO X-ray structure of human PPAR gamma ligand binding domain-bezafibrate co-rystals obtained by co-crystallization Deposited 2021-12-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
683–697（15 aa）
|
Not recorded | PEM 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；0.1 M Tris (pH 8.0), 1.1 M trisodium citrate
|
Resolution 2.36 Å R-free 0.225 |
| 7WGP X-ray structure of human PPAR gamma ligand binding domain-fenofibric acid co-crystals obtained by co-crystallization Deposited 2021-12-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
683–697（15 aa）
|
Not recorded | F5A 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；0.1 M Tris (pH 8.0), 1.1 M trisodium citrate
|
Resolution 2.53 Å R-free 0.269 |
| 7WGQ X-ray structure of human PPAR gamma ligand binding domain-pemafibrate co-crystals obtained by co-crystallization Deposited 2021-12-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
683–697（15 aa）
|
Not recorded | P7F (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；0.1 M HEPES (pH 7.5), 1.1 M trisodium citrate
|
Resolution 2.43 Å R-free 0.252 |
| 7WQQ Retinoic acid receptor alpha mutant - N299H Deposited 2022-01-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
686–698（13 aa）
|
Not recorded | 5Z6 4-[(E)-3-(3,5-ditert-butylphenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.05M Bis-Tris Propane pH 5.0, 0.05M Citric acid, 18% PEG 3350
|
Resolution 1.90 Å R-free 0.206 |
| 7XVY Human Estrogen Receptor beta Ligand-binding Domain in Complex with S-DPN Deposited 2022-05-25 | 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 C
628–640（13 aa）
Chain D
628–640（13 aa）
|
Not recorded | I0K (2~{S})-2,3-bis(4-hydroxyphenyl)propanenitrile × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；16-20% PEG3350, 100 mM BisTris pH6.5, 200 mM Magnesium Acetate
|
Resolution 1.54 Å R-free 0.237 |
| 7YFK The structure of human pregnane X receptor in complex with an SRC-1 coactivator peptide and a limonoid compound, nomilin Deposited 2022-07-08 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
676–700（25 aa）
Chain B
676–700（25 aa）
|
Not recorded | G3L Nomilin × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 8；277.15 K；10% (v/v) 2-propanol, 100 mM Imidazole/ Hydrochloric acid, pH 8.0
|
Resolution 2.10 Å |
| 7ZFG VDR complex with aromatic D-ring analog Deposited 2022-04-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
686–700（15 aa）
|
Not recorded | ACT ACETATE ION × 1 IV5 (1R,3S,5Z)-4-methylidene-5-[(E)-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；NaAcetate 2.5M, BisTris 0.1M
|
Resolution 2.62 Å R-free 0.261 |
| 7ZFX VDR complex with Aromatic-D-Ring Analog Deposited 2022-04-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
686–700（15 aa）
|
Not recorded | ACT ACETATE ION × 1 IV1 (1R,3S,5Z)-5-[(E)-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；NaActetae 2.5M, Tris 0.1M
|
Resolution 2.60 Å R-free 0.254 |
| 8CK5 VDR LBD complex with 25-nitro derivative of 1,25D3 Deposited 2023-02-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
686–700（15 aa）
|
Not recorded | ACT ACETATE ION × 1 UYO (1S,3R,5Z,7E,13xi)-25-nitro-9,10-secocholesta-5,7,10-triene-1,3-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；50 mM Bis-Tris pH 6.5, 1.6 M lithium sulfate and 50 mM magnesium sulfate
|
Resolution 2.10 Å R-free 0.243 |
| 8CKC Vitamin D receptor complex with 25-amine derivative of 1,25D3 Deposited 2023-02-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
686–700（15 aa）
|
Not recorded | ACT ACETATE ION × 2 UYU (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-azanyl-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；50 mM Bis-Tris pH 6.5, 1.6 M lithium sulfate and 50 mM magnesium sulfate
|
Resolution 2.10 Å R-free 0.232 |
| 8F5Y Crystal structure of pregnane X receptor ligand binding domain complexed with JQ1 Deposited 2022-11-15 | 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 C
676–700（25 aa）
Chain D
676–700（25 aa）
|
Not recorded | JQ1 (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；50 mM imidazole pH 7.0, 8% isopropanol
|
Resolution 2.15 Å R-free 0.215 |
| 8HUK X-ray structure of human PPAR alpha ligand binding domain-lanifibranor-SRC1 coactivator peptide co-crystals obtained by soaking Deposited 2022-12-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
683–697（15 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；0.1 M Tris (pH 8.5), 25%(w/v) PEG3350
|
Resolution 2.98 Å R-free 0.254 |
| 8HUM X-ray structure of human PPAR gamma ligand binding domain-lanifibranor-SRC1 coactivator peptide co-crystals obtained by co-crystallization Deposited 2022-12-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
683–697（15 aa）
|
Not recorded | BJB 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；0.1 M HEPES (pH 7.5), 1.0 M trisodium citrate
|
Resolution 2.29 Å R-free 0.250 |
| 8HUP X-ray structure of human PPAR gamma ligand binding domain-seladelpar-SRC1 coactivator peptide co-crystals obtained by co-crystallization Deposited 2022-12-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
683–697（15 aa）
|
Not recorded | KKB Seladelpar × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；0.1 M Tris (pH 8.0), 1.1 M trisodium citrate
|
Resolution 2.36 Å R-free 0.234 |
| 8HUQ X-ray structure of human PPAR alpha ligand binding domain-elafibranor-SRC1 coactivator peptide co-crystals obtained by soaking Deposited 2022-12-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
683–697（15 aa）
|
Not recorded | GOL GLYCEROL × 1 MUO 2-[2,6-dimethyl-4-[(~{E})-3-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；0.1 M Tris (pH 8.5), 25%(w/v) PEG3350
|
Resolution 1.65 Å R-free 0.213 |
| 8P9W vitamin D receptor complex with Xe4MeCF3 analog Deposited 2023-06-06 | 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 B
686–700（15 aa）
|
Not recorded | XDO (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-[6,6,6-tris(fluoranyl)-5-oxidanyl-5-(trifluoromethyl)hexa-1,3-diynyl]-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M BTP pH 7.0, 3 M NaOAc
|
Resolution 2.90 Å R-free 0.234 |
| 8SVN Crystal structure of the apo form of pregnane X receptor ligand binding domain Deposited 2023-05-17 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
678–710（33 aa）
Chain B
678–710（33 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；in 0.1 M HEPES pH 7.0, and 14% Isopropanol
|
Resolution 2.20 Å R-free 0.235 |
| 8SVO Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-310 Deposited 2023-05-17 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
678–710（33 aa）
Chain B
678–710（33 aa）
|
Not recorded | WSO (1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；50 mM Bis-Tris pH 6.0-7.0, 9-16% (v/v) 2-Methyl-2,4-pentanediol
|
Resolution 2.35 Å R-free 0.238 |
| 8SVP Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-278 Deposited 2023-05-17 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
678–710（33 aa）
Chain B
678–710（33 aa）
|
Not recorded | WSX (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide × 2 YGO (1P)-N-(5-tert-butyl-2-{[(3R)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；50 mM Bis-Tris pH 6.0-7.0, 9-16% (v/v) 2-Methyl-2,4-pentanediol
|
Resolution 3.32 Å R-free 0.252 |
| 8SVQ Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-312 Deposited 2023-05-17 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
678–710（33 aa）
Chain B
678–710（33 aa）
|
Not recorded | WSX (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；50 mM Bis-Tris pH 6.0-7.0, 9-16% (v/v) 2-Methyl-2,4-pentanediol
|
Resolution 2.75 Å R-free 0.262 |
| 8SVR Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-326 Deposited 2023-05-17 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
678–710（33 aa）
Chain B
678–710（33 aa）
|
Not recorded | DMS DIMETHYL SULFOXIDE × 1 WT1 (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；50 mM Bis-Tris pH 6.0-7.0, 9-16% (v/v) 2-Methyl-2,4-pentanediol
|
Resolution 2.92 Å R-free 0.258 |
| 8SVS Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-328 Deposited 2023-05-17 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
678–710（33 aa）
Chain B
678–710（33 aa）
|
Not recorded | WU2 (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；50 mM Bis-Tris pH 6.0-7.0, 9-16% (v/v) 2-Methyl-2,4-pentanediol
|
Resolution 2.68 Å R-free 0.250 |
| 8SVT Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-331 Deposited 2023-05-17 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
678–710（33 aa）
Chain B
678–710（33 aa）
|
Not recorded | WU6 methyl 3-{[(1P)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl]amino}-4-{[(3S)-hexan-3-yl]oxy}benzoate × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；50 mM Bis-Tris pH 6.0-7.0, 9-16% (v/v) 2-Methyl-2,4-pentanediol
|
Resolution 2.39 Å R-free 0.237 |
| 8SVU Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in apo form Deposited 2023-05-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
678–710（33 aa）
Chain B
678–710（33 aa）
|
Mutation：L428V Mutation：L428V | GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；50 mM Bis-Tris pH 6.0-7.0, 9-16% (v/v) 2-Methyl-2,4-pentanediol
|
Resolution 2.89 Å R-free 0.244 |
| 8SVX Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in complex with SJPYT-331 Deposited 2023-05-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
678–710（33 aa）
Chain B
678–710（33 aa）
|
Mutation：L428V Mutation：L428V | WU6 methyl 3-{[(1P)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl]amino}-4-{[(3S)-hexan-3-yl]oxy}benzoate × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；50 mM Bis-Tris pH 6.0-7.0, 9-16% (v/v) 2-Methyl-2,4-pentanediol
|
Resolution 2.14 Å R-free 0.235 |
| 9EYR VDR complex with gemini analog UG-480 Deposited 2024-04-09 | 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
686–700（15 aa）
|
Not recorded | A1H75 (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{R})-5-methyl-1-[(1~{S},2~{S})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-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；Li2SO4 1.8M
|
Resolution 2.56 Å R-free 0.259 |
| 9FBF VDR complex with UG-481 Deposited 2024-05-13 | 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
686–700（15 aa）
|
Not recorded | A1IBM (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-5-methyl-1-[(1~{R},2~{R})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-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, HANGING DROP；293 K；Li2SO4 1.8M
|
Resolution 3.01 Å R-free 0.258 |
| 9FZI A new crystal structure of the hPXR-LBD in fusion with an SRC1 co-activator peptide and in complex with SR12813 (P212121 form) Deposited 2024-07-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
678–700（23 aa）
|
Not recorded | SRL [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；100 mM Imidazole
25 - 30% MPD
|
Resolution 2.70 Å R-free 0.237 |
| 9FZI A new crystal structure of the hPXR-LBD in fusion with an SRC1 co-activator peptide and in complex with SR12813 (P212121 form) Deposited 2024-07-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
678–700（23 aa）
|
Not recorded | SRL [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；100 mM Imidazole
25 - 30% MPD
|
Resolution 2.70 Å R-free 0.237 |
| 9GC7 Mineralocorticoid receptor in complex with acylurea antagonists. Deposited 2024-08-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1430–1441（12 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293.15 K；0.9 M AMS 0.1 M CHES pH 9.5 +10% Morpheus G8
|
Resolution 1.46 Å R-free 0.210 |
| 9O41 Crystal structure of the L411A mutant of pregnane X receptor ligand binding domain (apo form) Deposited 2025-04-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
682–710（29 aa）
Chain B
682–710（29 aa）
|
Mutation：L411A Mutation：L411A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；50 mM Bis-Tris (pH 6-7), 9-16% (v/v) 2-methyl-2,4-pentanediol
|
Resolution 2.05 Å R-free 0.222 |
| 9O42 Crystal structure of the L411A mutant of pregnane X receptor ligand binding domain in complex with SJPYT-328 Deposited 2025-04-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
682–710（29 aa）
Chain B
682–710（29 aa）
|
Mutation：L411A Mutation：L411A | WU2 (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；50 mM Bis-Tris (pH 6-7), 9-16% (v/v) 2-methyl-2,4-pentanediol
|
Resolution 2.51 Å R-free 0.219 |
| 9O43 Crystal structure of the L411A mutant of pregnane X receptor ligand binding domain in complex with SJPYT-331 Deposited 2025-04-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
682–710（29 aa）
Chain B
682–710（29 aa）
|
Mutation：L411A Mutation：L411A | WU6 methyl 3-{[(1P)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl]amino}-4-{[(3S)-hexan-3-yl]oxy}benzoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；50 mM Bis-Tris (pH 6-7), 9-16% (v/v) 2-methyl-2,4-pentanediol
|
Resolution 2.76 Å R-free 0.239 |
| 9O44 Crystal structure of the L411W mutant of pregnane X receptor ligand binding domain (apo form) Deposited 2025-04-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
682–710（29 aa）
Chain B
682–710（29 aa）
|
Mutation：L411W Mutation：L411W | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；50 mM Bis-Tris (pH 6-7), 9-16% (v/v) 2-methyl-2,4-pentanediol
|
Resolution 2.30 Å R-free 0.228 |
| 9O45 Crystal structure of the L411W mutant of pregnane X receptor ligand binding domain in complex with SJPYT-328 Deposited 2025-04-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
682–710（29 aa）
Chain B
682–710（29 aa）
|
Mutation：L411W Mutation：L411W | WU2 (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；50 mM Bis-Tris (pH 6-7), 9-16% (v/v) 2-methyl-2,4-pentanediol
|
Resolution 2.56 Å R-free 0.241 |
| 9O46 Crystal structure of the L411W mutant of pregnane X receptor ligand binding domain in complex with SJPYT-331 Deposited 2025-04-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
682–710（29 aa）
Chain B
682–710（29 aa）
|
Mutation：L411W Mutation：L411W | WU6 methyl 3-{[(1P)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl]amino}-4-{[(3S)-hexan-3-yl]oxy}benzoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；50 mM Bis-Tris (pH 6-7), 9-16% (v/v) 2-methyl-2,4-pentanediol
|
Resolution 3.02 Å R-free 0.232 |
| 9S70 Crystal structure of RXR alpha LBD bound to a partial agonist 21 and a coactivator fragment SRC1 Deposited 2025-08-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
680–700（21 aa）
|
Not recorded | A1JL7 3-[[4-cyclobutyl-6-(3,4-dihydro-2~{H}-quinolin-1-yl)pyrimidin-2-yl]amino]propanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；20% PEG2000, 0.1M Mes pH 6.5
|
Resolution 1.95 Å R-free 0.221 |
| 9S71 Crystal structure of RXR alpha LBD bound to a partial agonist 35 and a coactivator fragment SRC1 Deposited 2025-08-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
680–700（21 aa）
|
Not recorded | A1JL8 3-[[4-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；18% PEG 4000 0.1 M MES pH 6.5
|
Resolution 2.00 Å R-free 0.222 |
| 9VBQ Crystal structure of FXR in complex with agonist XJ02862-S2 Deposited 2025-06-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
744–757（14 aa）
Fragment：HD3 Peptide
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.30 Å R-free 0.244 |
| 9VBR Farnesoid X Receptor Agonists_FXR fused with a HD3 peptide Deposited 2025-06-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
745–756（12 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.50 Å R-free 0.251 |
| 9VBR Farnesoid X Receptor Agonists_FXR fused with a HD3 peptide Deposited 2025-06-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
745–756（12 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.50 Å R-free 0.251 |
| 9VNX Crystal Structure of the mutant ROR gamma LBD With Compound 28 Deposited 2025-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
686–700（15 aa）
|
Not recorded | A1MAM (2~{R})-~{N}-[5-(5-cyano-6-propan-2-yloxy-pyridin-3-yl)-1-(trifluoromethyl)pyrazol-3-yl]-1-ethanoyl-4-propan-2-ylsulfonyl-piperazine-2-carboxamide × 1 EDO 1,2-ETHANEDIOL × 3 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；297 K；0.1M sodium acetate (pH 7.0), 3.5M ammonium acetate
|
Resolution 1.93 Å R-free 0.218 |
| 9VZQ Crystal structure of RORgamma in complex with novel inverse agonist Deposited 2025-07-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1429–1441（13 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.18 Å R-free 0.251 |
204 other PDB entries and 251 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | NCOA1_HUMAN |
| Isoform | — |
| PDB entities | 2 |
| Chains and sequence ranges | Author chain E； PDBConstruct 1–15； UniProt 686–700 Author chain F； PDBConstruct 1–15； UniProt 686–700 |
