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6knw

THRb mutation with a novel agonist

Method: X-RAY DIFFRACTION Dmax: 64.9 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Thyroid hormone receptor beta

Homo sapiens

UniProt P10828

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain A； UniProt 211–460 Mutation：R438H Nuclear receptor coactivator 2 × 1 （Q15596） 8HO 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；293 K；100mM Nacl 20% PEG 4000 Resolution 2.67 Å R-free 0.244

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 6KNW Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1BSX STRUCTURE AND SPECIFICITY OF NUCLEAR RECEPTOR-COACTIVATOR INTERACTIONS Deposited 1998-08-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 202–461（260 aa） Fragment：LIGAND BINDING DOMAIN
Not recorded T3 3,5,3'TRIIODOTHYRONINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.9；pH 4.9
Resolution 3.70 Å R-free 0.299
1BSX STRUCTURE AND SPECIFICITY OF NUCLEAR RECEPTOR-COACTIVATOR INTERACTIONS Deposited 1998-08-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 202–461（260 aa） Fragment：LIGAND BINDING DOMAIN
Not recorded T3 3,5,3'TRIIODOTHYRONINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.9；pH 4.9
Resolution 3.70 Å R-free 0.299
1N46 CRYSTAL STRUCTURE OF HUMAN TR BETA LIGAND-BINDING DOMAIN COMPLEXED WITH A POTENT SUBTYPE-SELECTIVE THYROMIMETIC Deposited 2002-10-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 204–461（258 aa）
Chain B 204–461（258 aa）
Not recorded PFA [4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3,5-DIMETHYL-PHENYL]-6-AZAURACIL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0, temperature 100K
Resolution 2.20 Å R-free 0.256
1NAX Thyroid receptor beta1 in complex with a beta-selective ligand Deposited 2002-11-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 209–460（252 aa） Fragment：Ligand binding domain (residues 209-460)
Not recorded IH5 {3,5-DICHLORO-4-[4-HYDROXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；ammonium sulphate, TRIS, NDSB-201, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.70 Å R-free 0.237
1NAX Thyroid receptor beta1 in complex with a beta-selective ligand Deposited 2002-11-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 209–460（252 aa） Fragment：Ligand binding domain (residues 209-460)
Not recorded IH5 {3,5-DICHLORO-4-[4-HYDROXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}ACETIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；ammonium sulphate, TRIS, NDSB-201, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.70 Å R-free 0.237
1NQ0 TR Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal LBD Deposited 2003-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 202–461（260 aa） Fragment：LIGAND BINDING DOMAIN
Mutation：A234T 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID × 1 ARS ARSENIC × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；700 mM sodium acetate, 100mM Sodium Cacodylate, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.40 Å R-free 0.258
1NQ0 TR Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal LBD Deposited 2003-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 202–461（260 aa） Fragment：LIGAND BINDING DOMAIN
Mutation：A234T 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID × 2 ARS ARSENIC × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；700 mM sodium acetate, 100mM Sodium Cacodylate, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.40 Å R-free 0.258
1NQ1 TR Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal LBD Deposited 2003-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 202–461（260 aa） Fragment：LIGAND BINDING DOMAIN
Mutation：R243Q 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID × 1 ARS ARSENIC × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；700 mM sodium acetate, 100mM Sodium Cacodylate, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.90 Å R-free 0.287
1NQ1 TR Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal LBD Deposited 2003-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 202–461（260 aa） Fragment：LIGAND BINDING DOMAIN
Mutation：R243Q 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID × 2 ARS ARSENIC × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；700 mM sodium acetate, 100mM Sodium Cacodylate, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.90 Å R-free 0.287
1NQ2 Two RTH Mutants with Impaired Hormone Binding Deposited 2003-01-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 202–461（260 aa） Fragment：LIGAND BINDING DOMAIN
Not recorded NA SODIUM ION × 1 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID × 1 ARS ARSENIC × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；277 K；700 mM sodium acetate, 200mM sodium succinate 100mM sodium cacodylate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.40 Å R-free 0.264
1NQ2 Two RTH Mutants with Impaired Hormone Binding Deposited 2003-01-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 202–461（260 aa） Fragment：LIGAND BINDING DOMAIN
Not recorded NA SODIUM ION × 2 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID × 2 ARS ARSENIC × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；277 K；700 mM sodium acetate, 200mM sodium succinate 100mM sodium cacodylate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.40 Å R-free 0.264
1NUO Two RTH Mutants with Impaired Hormone Binding Deposited 2003-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 201–461（261 aa） Fragment：LIGAND BINDING DOMAIN
Not recorded 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；800 mM sodium acetate, 100mM Sodium Cacodylate, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 3.10 Å R-free 0.302
1Q4X Crystal Structure of Human Thyroid Hormone Receptor beta LBD in complex with specific agonist GC-24 Deposited 2003-08-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 209–461（253 aa） Fragment：Ligand Binding Domain
Not recorded G24 [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.9；291 K；PEG 3350, sodium acetate, glucose, cymal-2, pH 4.9, VAPOR DIFFUSION, SITTING DROP, temperature 291.0K
Resolution 2.80 Å R-free 0.264
1R6G Crystal structure of the thyroid hormone receptor beta ligand binding domain in complex with a beta selective compound Deposited 2003-10-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 203–461（259 aa） Fragment：ligand binding domain
Not recorded 442 2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-1,1-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；Sodium acetate, sodium cacodylate , pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.00 Å R-free 0.347
1XZX Thyroxine-Thyroid Hormone Receptor Interactions Deposited 2004-11-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 202–461（260 aa） Fragment：ligand binding domain (residues 202-461)
Not recorded CAC CACODYLATE ION × 6 T3 3,5,3'TRIIODOTHYRONINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；279 K；sodium acetate, cacodylate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 279K
Resolution 2.50 Å R-free 0.244
1XZX Thyroxine-Thyroid Hormone Receptor Interactions Deposited 2004-11-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain X 202–461（260 aa） Fragment：ligand binding domain (residues 202-461)
Not recorded CAC CACODYLATE ION × 12 T3 3,5,3'TRIIODOTHYRONINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；279 K；sodium acetate, cacodylate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 279K
Resolution 2.50 Å R-free 0.244
1Y0X Thyroxine-Thyroid Hormone Receptor Interactions Deposited 2004-11-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 202–461（260 aa） Fragment：ligand binding domain (residues 202-461)
Not recorded CAC CACODYLATE ION × 6 T44 3,5,3',5'-TETRAIODO-L-THYRONINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；279 K；sodium acetate, cacodylate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 279K
Resolution 3.10 Å R-free 0.266
1Y0X Thyroxine-Thyroid Hormone Receptor Interactions Deposited 2004-11-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain X 202–461（260 aa） Fragment：ligand binding domain (residues 202-461)
Not recorded CAC CACODYLATE ION × 12 T44 3,5,3',5'-TETRAIODO-L-THYRONINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；279 K；sodium acetate, cacodylate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 279K
Resolution 3.10 Å R-free 0.266
2J4A Human Thyroid hormone receptor beta ligand binding domain in complex with KB131084 Deposited 2006-08-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 209–461（253 aa） Fragment：LIGAND BINDING DOMAIN, RESIDUES 209-461
Mutation：YES OEF 3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 0.45 M AMMONIUMSULFATE, 100 MMTRIS PH8.0, 100MM NDSB
Resolution 2.20 Å R-free 0.273
2NLL RETINOID X RECEPTOR-THYROID HORMONE RECEPTOR DNA-BINDING DOMAIN HETERODIMER BOUND TO THYROID RESPONSE ELEMENT DNA Deposited 1996-11-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric
Chain B 104–206（103 aa）
Not recorded ZN ZINC ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；CRYSTALLIZED FROM 40% PEG 3350 25 MM IMADAZOLE BUFFER, PH 7.0, 400 MM NH4CL, 10 MM DTT, AND 5 MM MGCL2
Resolution 1.90 Å R-free 0.269
2PIN Thyroid receptor beta in complex with inhibitor Deposited 2007-04-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 209–461（253 aa） Fragment：Ligand-binding domain (residues 209-461)
Chain B 209–461（253 aa） Fragment：Ligand-binding domain (residues 209-461)
Mutation：D355R Mutation：D355R 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID × 2 LEG 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.30 Å R-free 0.256
3D57 TR Variant D355R Deposited 2008-05-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 209–460（252 aa） Fragment：C-terminal domain
Chain B 209–460（252 aa） Fragment：C-terminal domain
Mutation：D355R Mutation：D355R 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；25% ethylene glycol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.20 Å R-free 0.240
3GWS Crystal Structure of T3-Bound Thyroid Hormone Receptor Deposited 2009-04-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 202–460（259 aa） Fragment：Ligand Binding Domain (UNP residues 202 to 460)
Non-standard monomer：Yes (specific site not provided by mmCIF) T3 3,5,3'TRIIODOTHYRONINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.8；298 K；100MM SODIUM CACODYLATE, 1.4M SODIUM ACETATE, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.20 Å R-free 0.233
3IMY Structure of TR-beta bound to selective thyromimetic GC-1 Deposited 2009-08-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 202–461（260 aa） Fragment：UNP residues 202-461
Non-standard monomer：Yes (specific site not provided by mmCIF) B72 {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；291 K；100mM NaCac, 1.2M NaAc, 200mM Na succinate, pH 7.5, VAPOR DIFFUSION, temperature 291K
Resolution 2.55 Å R-free 0.271
3IMY Structure of TR-beta bound to selective thyromimetic GC-1 Deposited 2009-08-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 202–461（260 aa） Fragment：UNP residues 202-461
Non-standard monomer：Yes (specific site not provided by mmCIF) B72 {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；291 K；100mM NaCac, 1.2M NaAc, 200mM Na succinate, pH 7.5, VAPOR DIFFUSION, temperature 291K
Resolution 2.55 Å R-free 0.271
3JZC Crystal Structure of TR-beta bound to the selective thyromimetic TRIAC Deposited 2009-09-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 202–461（260 aa） Fragment：UNP residues 202-461, Ligand Binding Domain
Non-standard monomer：Yes (specific site not provided by mmCIF) 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.8；291 K；100mM Sodium Cacodylate, 1.4M sodium acetate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.50 Å R-free 0.246
4ZO1 Crystal Structure of the T3-bound TR-beta Ligand-binding Domain in complex with RXR-alpha Deposited 2015-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain X 210–461（252 aa） Fragment：ligand binding domain unp residues 210-461
Not recorded T3 3,5,3'TRIIODOTHYRONINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；294 K；20% PEG 3350, 100 mM Tris pH 8.0, 0.1 M ammonium acetate, and 1 mM Methoprene acid
Resolution 3.22 Å R-free 0.281
6KKB A novel agonist of THRb Deposited 2019-07-24 Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain X 211–460（250 aa）
Not recorded 8HO 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2M Sodium citrate tribasic dihydrate, 20%(w/v) Polyethylene glycol 3,350
Resolution 1.70 Å R-free 0.197
6KKE THRb mutation with a novel agonist Deposited 2019-07-25 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 211–459（249 aa）
Mutation：H435L 8HO 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.2 M Ammonium citrate tribasic pH 7.0, 20% w/v Polyethylene glycol 3,350
Resolution 2.58 Å R-free 0.217
6KNU THRb mutation with a novel agonist Deposited 2019-08-07 Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 211–460（250 aa）
Mutation：V264D 8HO 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1M Sodium acetate trihydrate pH 4.6, 2.0M Sodium formate
Resolution 2.70 Å R-free 0.231
6KNV THRb mutation with a novel agonist Deposited 2019-08-07 Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 211–460（250 aa）
Mutation：R438W 8HO 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2% v/v Tacsimate pH 5.0, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 16% w/v Polyethylene glycol 3,350
Resolution 2.80 Å R-free 0.265
7WLX A novel chemical derivative(53) of THRB agonist Deposited 2022-01-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 217–476（260 aa）
Not recorded 9GC 2-[[1-methoxy-4-oxidanyl-7-[4-(phenylmethyl)phenoxy]isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2% v/v tacsimate pH 5.0, 0.1 M sodium citrate tribasic dihydrate pH 5.6 and 16% w/v polyethylene glycol 3,350.
Resolution 2.39 Å R-free 0.270
7WMG A novel chemical derivative(52) of THRB agonist Deposited 2022-01-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 217–476（260 aa）
Not recorded 9IF 2-[[1-methoxy-4-oxidanyl-7-(4-phenoxyphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M sodium formate pH 7.0 and 20% w/v polyethylene glycol 3,350.
Resolution 2.93 Å R-free 0.298
7WMH A novel chemical derivative(56) of THRB agonist Deposited 2022-01-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 217–476（260 aa）
Not recorded 9II 2-[[1-methoxy-4-oxidanyl-7-(4-phenylphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M MgSO4 and 5% PEG 8000
Resolution 1.97 Å R-free 0.253
7WMJ A novel chemical derivative(71) of THRB agonist Deposited 2022-01-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 217–476（260 aa）
Not recorded 9IL 2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% v/v ethylene glycol.
Resolution 2.81 Å R-free 0.274
7WML A novel chemical derivative(85) of THRB agonist Deposited 2022-01-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 217–476（260 aa）
Not recorded 9IQ 2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M MgSO4 and 12% PEG 6000.
Resolution 2.67 Å R-free 0.245
7WMN A novel chemical derivative(89) of THRB agonist Deposited 2022-01-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 217–476（260 aa）
Not recorded 9IT 2-[[7-[2,6-dimethyl-4-(3-methylphenyl)carbonyl-phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M MgSO4 and 12% PEG 6000.
Resolution 2.57 Å R-free 0.261
7WMO A novel chemical derivative(92) of THRB agonist Deposited 2022-01-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 217–476（260 aa）
Not recorded 9IW 2-[[1-ethoxy-7-[4-(3-fluoranyl-5-methoxy-phenyl)carbonyl-2,6-dimethyl-phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M sodium malonate pH 6.0 and 20% w/v Polyethylene glycol 3,350
Resolution 2.56 Å R-free 0.241
8RQN Human thyroid hormone receptor beta ligand binding domain in complex with beta-selective agonist ALG-055009 Deposited 2024-01-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 202–461（260 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) A1H2J 6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.40 M NaAcetate, 0.10 M NaCacodylate pH 7.0
Resolution 2.88 Å R-free 0.262
9IX5 An agonist(compound 15n) of Thyroid Hormone Receptor B Deposited 2024-07-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 203–461（259 aa）
Not recorded A1EAC 2-[(1-methoxy-7-naphthalen-2-yloxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.35 M Sodium citrate tribasic dihydrate, 22%(w/v) Polyethylene glycol 3,350
Resolution 2.65 Å R-free 0.277
9J0K An agonist(compound 14e)of Thyroid Hormone Receptor B Deposited 2024-08-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 202–461（260 aa）
Not recorded A1EAE 2-[[7-[3-(aminomethyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M ammonium sulfate, 0.1 M MES monohydrate pH 6.7 and 13% v/v 1,4-Dioxane
Resolution 2.70 Å R-free 0.275
9J0K An agonist(compound 14e)of Thyroid Hormone Receptor B Deposited 2024-08-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 202–461（260 aa）
Not recorded A1EAE 2-[[7-[3-(aminomethyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M ammonium sulfate, 0.1 M MES monohydrate pH 6.7 and 13% v/v 1,4-Dioxane
Resolution 2.70 Å R-free 0.275

33 other PDB entries and 42 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name THB_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–250； UniProt 211–460

Nuclear receptor coactivator 2

Homo sapiens

UniProt Q15596

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain C； UniProt 741–751 Not recorded Thyroid hormone receptor beta × 1 （P10828） 8HO 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；293 K；100mM Nacl 20% PEG 4000 Resolution 2.67 Å R-free 0.244

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 6KNW Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1GWQ HUMAN OESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH RALOXIFENE CORE AND TIF2 NRBOX2 PEPTIDE Deposited 2002-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 688–696（9 aa） Fragment：NUCLEAR RECEPTOR BOX II, RESIDUES 688-696
Chain D 688–696（9 aa） Fragment：NUCLEAR RECEPTOR BOX II, RESIDUES 688-696
Not recorded ZTW RALOXIFENE CORE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；6-11% (W/V) PEG 1500, 4% (V/V) DMF, pH 8.50
Resolution 2.45 Å R-free 0.269
1GWR HUMAN OESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH 17BETA-OESTRADIOL AND TIF2 NRBOX3 PEPTIDE Deposited 2002-03-22 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 742–750（9 aa） Fragment：NUCLEAR RECEPTOR BOX III RESIDUES 742-750
Not recorded EST ESTRADIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.8；2-2.5% (W/V) PEG 20000 0.1M HEPES PH7.8, pH 7.80
Resolution 2.40 Å R-free 0.288
1GWR HUMAN OESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH 17BETA-OESTRADIOL AND TIF2 NRBOX3 PEPTIDE Deposited 2002-03-22 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 742–750（9 aa） Fragment：NUCLEAR RECEPTOR BOX III RESIDUES 742-750
Not recorded EST ESTRADIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.8；2-2.5% (W/V) PEG 20000 0.1M HEPES PH7.8, pH 7.80
Resolution 2.40 Å R-free 0.288
1M2Z Crystal structure of a dimer complex of the human glucocorticoid receptor ligand-binding domain bound to dexamethasone and a TIF2 coactivator motif Deposited 2002-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 734–754（21 aa） Fragment：TIF2 coactivator motif, residues 734-754
Chain E 734–754（21 aa） Fragment：TIF2 coactivator motif, residues 734-754
Not recorded BOG octyl beta-D-glucopyranoside × 3 DEX DEXAMETHASONE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；salts, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.267
1MV9 Crystal Structure of the human RXR alpha ligand binding domain bound to the eicosanoid DHA (Docosa Hexaenoic Acid) and a coactivator peptide Deposited 2002-09-24 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：NR box
Not recorded HXA DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；PEG 4000, glycerol, NaCl, Pipes or BisTris, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.90 Å R-free 0.249
1MVC Crystal structure of the human RXR alpha ligand binding domain bound to the synthetic agonist compound BMS 649 and a coactivator peptide Deposited 2002-09-24 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：NR box
Not recorded BM6 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；PEG 4000, NaCl, Glycerol, BisTris, Pipes, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
Resolution 1.90 Å R-free 0.228
1MZN CRYSTAL STRUCTURE at 1.9 ANGSTROEMS RESOLUTION OF THE HOMODIMER OF HUMAN RXR ALPHA LIGAND BINDING DOMAIN BOUND TO THE SYNTHETIC AGONIST COMPOUND BMS 649 AND A COACTIVATOR PEPTIDE Deposited 2002-10-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：NR box
Chain D 686–698（13 aa） Fragment：NR box
Not recorded BM6 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；PEG 4000, NaCl, Pipes, BisTris, glycerol, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.90 Å R-free 0.232
1MZN CRYSTAL STRUCTURE at 1.9 ANGSTROEMS RESOLUTION OF THE HOMODIMER OF HUMAN RXR ALPHA LIGAND BINDING DOMAIN BOUND TO THE SYNTHETIC AGONIST COMPOUND BMS 649 AND A COACTIVATOR PEPTIDE Deposited 2002-10-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 686–698（13 aa） Fragment：NR box
Chain H 686–698（13 aa） Fragment：NR box
Not recorded BM6 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；PEG 4000, NaCl, Pipes, BisTris, glycerol, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.90 Å R-free 0.232
1P93 CRYSTAL STRUCTURE OF THE AGONIST FORM OF GLUCOCORTICOID RECEPTOR Deposited 2003-05-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 740–751（12 aa） Fragment：TIF PEPTIDE 12mer
Not recorded DEX DEXAMETHASONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；281 K；PEG 400, MgCl2, Dioxane, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP
Resolution 2.70 Å R-free 0.363
1P93 CRYSTAL STRUCTURE OF THE AGONIST FORM OF GLUCOCORTICOID RECEPTOR Deposited 2003-05-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 740–751（12 aa） Fragment：TIF PEPTIDE 12mer
Not recorded DEX DEXAMETHASONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；281 K；PEG 400, MgCl2, Dioxane, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP
Resolution 2.70 Å R-free 0.363
1P93 CRYSTAL STRUCTURE OF THE AGONIST FORM OF GLUCOCORTICOID RECEPTOR Deposited 2003-05-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 740–751（12 aa） Fragment：TIF PEPTIDE 12mer
Not recorded DEX DEXAMETHASONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；281 K；PEG 400, MgCl2, Dioxane, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP
Resolution 2.70 Å R-free 0.363
1P93 CRYSTAL STRUCTURE OF THE AGONIST FORM OF GLUCOCORTICOID RECEPTOR Deposited 2003-05-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 740–751（12 aa） Fragment：TIF PEPTIDE 12mer
Not recorded DEX DEXAMETHASONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；281 K；PEG 400, MgCl2, Dioxane, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP
Resolution 2.70 Å R-free 0.363
1T63 Crystal Structure of the Androgen Receptor Ligand Binding Domain with DHT and a peptide derived from its physiological coactivator GRIP1 NR box3 Deposited 2004-05-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 740–753（14 aa）
Not recorded DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；hepes, Na-citrate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.07 Å R-free 0.230
1T65 Crystal structure of the androgen receptor ligand binding domain with DHT and a peptide derived form its physiological coactivator GRIP1 NR box 2 bound in a non-helical conformation Deposited 2004-05-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 686–698（13 aa）
Not recorded DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；hepes, Na-citrate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 1.66 Å R-free 0.270
1UHL Crystal structure of the LXRalfa-RXRbeta LBD heterodimer Deposited 2003-07-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 687–696（10 aa）
Chain D 687–696（10 aa）
Not recorded MEI (2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID × 1 444 N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；305 K；MES, PEG, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 305K
Resolution 2.90 Å R-free 0.326
1YOK crystal structure of human LRH-1 bound with TIF-2 peptide and phosphatidylglycerol Deposited 2005-01-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 740–753（14 aa） Fragment：sequence database residues 740-753
Chain C 740–753（14 aa） Fragment：sequence database residues 740-753
Not recorded P6L (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.9；298 K；Sodium potassium phosphate, glycerol, ethylene glycol, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.50 Å R-free 0.290
1ZDT The Crystal Structure of Human Steroidogenic Factor-1 Deposited 2005-04-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain P 741–752（12 aa） Fragment：residues 741-752
Not recorded PEF DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；PEG3350, ammonium sulfate, sucrose, pH 5.5, temperature 277K, VAPOR DIFFUSION, SITTING DROP
Resolution 2.10 Å R-free 0.265
1ZDT The Crystal Structure of Human Steroidogenic Factor-1 Deposited 2005-04-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain Q 741–752（12 aa） Fragment：residues 741-752
Not recorded PEF DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；PEG3350, ammonium sulfate, sucrose, pH 5.5, temperature 277K, VAPOR DIFFUSION, SITTING DROP
Resolution 2.10 Å R-free 0.265
1ZDT The Crystal Structure of Human Steroidogenic Factor-1 Deposited 2005-04-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain P 741–752（12 aa） Fragment：residues 741-752
Chain Q 741–752（12 aa） Fragment：residues 741-752
Not recorded PEF DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；PEG3350, ammonium sulfate, sucrose, pH 5.5, temperature 277K, VAPOR DIFFUSION, SITTING DROP
Resolution 2.10 Å R-free 0.265
1ZDU The Crystal Structure of Human Liver Receptor Homologue-1 Deposited 2005-04-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain P 741–751（11 aa） Fragment：residues 741-751
Chain Q 741–751（11 aa） Fragment：residues 741-751
Not recorded P3A PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；NaH2PO4, K2HPO4, pH 7.5, temperature 293K, VAPOR DIFFUSION, SITTING DROP
Resolution 2.50 Å R-free 0.281
1ZKY Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-3M and A Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide Deposited 2005-05-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Residues 686 - 698
Chain D 686–698（13 aa） Fragment：Residues 686 - 698
Not recorded 689 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；289 K；0.2M sodium malonate, 20% PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 2.25 Å R-free 0.231
2AO6 Crystal structure of the human androgen receptor ligand binding domain bound with TIF2(iii) 740-753 peptide and R1881 Deposited 2005-08-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 740–753（14 aa） Fragment：BOX 3, RESIDUES 740-753
Not recorded R18 (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.9；293 K；100mM BTP, 0.6 M Na/K Tartrate, pH 7.90, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.89 Å R-free 0.242
2B1V Human estrogen receptor alpha ligand-binding domain in complex with OBCP-1M and a glucocorticoid receptor interacting protein 1 NR box II peptide Deposited 2005-09-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：RESIDUES 686 - 698
Chain D 686–698（13 aa） Fragment：RESIDUES 686 - 698
Not recorded 458 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.50
Resolution 1.80 Å R-free 0.238
2B1Z Human estrogen receptor alpha ligand-binding domain in complex with 17methyl-17alpha-dihydroequilenin and a glucoc interacting protein 1 NR box II peptide Deposited 2005-09-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：RESIDUES 686 - 698
Chain D 686–698（13 aa） Fragment：RESIDUES 686 - 698
Not recorded 17M 17-METHYL-17-ALPHA-DIHYDROEQUILENIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.50
Resolution 1.78 Å R-free 0.238
2B23 Human estrogen receptor alpha ligand-binding domain and a glucocorticoid receptor-interacting protein 1 NR box II peptide Deposited 2005-09-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：RESIDUES 686 - 698
Chain D 686–698（13 aa） Fragment：RESIDUES 686 - 698
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.5；pH 4.50
Resolution 2.10 Å R-free 0.272
2FAI Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-2M and A Glucocorticoid Receptor Interacting Protein 1 NR Box II Peptide Deposited 2005-12-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa）
Chain D 686–698（13 aa）
Not recorded 459 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.2M Ammonium Sulfate 0.1M Tris pH 8.5 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 2.10 Å R-free 0.240
2G44 Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-1M-G and A Glucocorticoid Receptor Interacting Protein 1 NR Box II Peptide Deposited 2006-02-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：GRIP PEPTIDE
Chain D 686–698（13 aa） Fragment：GRIP PEPTIDE
Not recorded T3O 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；0.2M AMMONIUM SULFATE 0.1M TRIS PH 7.0 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 289K
Resolution 2.65 Å R-free 0.256
2G5O Human estrogen receptor alpha ligand-binding domain in complex with 2-(but-1-enyl)-17beta-estradiol and a glucocorticoid receptor interacting protein 1 NR BOX II Peptide Deposited 2006-02-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：GRIP PEPTIDE
Chain D 686–698（13 aa） Fragment：GRIP PEPTIDE
Not recorded DRQ (9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；289 K；0.2M MAGENESIUM CHLORIDE 0.1M TRIS P 8.0 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 2.30 Å R-free 0.264
2P15 Crystal structure of the ER alpha ligand binding domain with the agonist ortho-trifluoromethylphenylvinyl estradiol Deposited 2007-03-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa）
Chain D 686–698（13 aa）
Not recorded EZT (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；20% PEG 4000, 0.2M Ammonium sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.94 Å R-free 0.216
2P1T Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-methoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2 Deposited 2007-03-06 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：nuclear receptor interaction motif 2 (residues 686-698)
Not recorded 3TN (2E)-3-[4-HYDROXY-3-(3-METHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；16% PEG 3350, 0.1M Tris, 1M ammonium acetate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.80 Å R-free 0.218
2P1U Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-ethoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2 Deposited 2007-03-06 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：nuclear receptor interaction motif 2 (residues 686-698)
Not recorded 4TN (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-4-HYDROXYPHENYL]ACRYLIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；14% PEG 10000, 0.1M Tris, 1M ammonium chloride, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.20 Å R-free 0.251
2P1V Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-propoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2 Deposited 2007-03-06 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：nuclear receptor interaction motif 2 (residues 686-698)
Not recorded 5TN (2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；24% PEG 4000, 0.1M Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.20 Å R-free 0.232
2Q7J The Wild Type Androgen Receptor Ligand Binding Domain Bound with Testosterone and a TIF2 box 3 Coactivator Peptide 740-753 Deposited 2007-06-07 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 740–753（14 aa）
Not recorded SO4 SULFATE ION × 1 TES TESTOSTERONE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å R-free 0.220
2Q7L The Androgen Receptor Prostate Cancer Mutant H874Y Ligand Binding Domain Bound with Testosterone and a TIF2 box3 Coactivator Peptide 740-753 Deposited 2007-06-07 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 740–753（14 aa）
Not recorded TES TESTOSTERONE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.92 Å R-free 0.221
2ZXZ Crystal structure of the human RXR alpha ligand binding domain bound to a synthetic agonist compound and a coactivator peptide Deposited 2009-01-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded P26 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；10mM Tris-HCl, 250mM NaCl, 5mM DTT, 50mM calcium acetate, 18% PEG3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 3.00 Å R-free 0.278
2ZY0 Crystal structure of the human RXR alpha ligand binding domain bound to a synthetic agonist compound and a coactivator peptide Deposited 2009-01-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Chain D 686–698（13 aa）
Not recorded 21P 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-1,3-benzodisilol-5-yl)-1,3-dioxolan-2-yl]benzoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；10mM Tris-HCl, 250mM NaCl, 5mM DTT, 50mM calcium acetate, 18% PEG3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.90 Å R-free 0.289
3A9E Crystal structure of a mixed agonist-bound RAR-alpha and antagonist-bound RXR-alpha heterodimer ligand binding domains Deposited 2009-10-24 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain I 686–698（13 aa）
Not recorded 754 (2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid × 1 REA RETINOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；290 K；200mM potassium thiocyanate, 20% PEG 3350, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K
Resolution 2.75 Å R-free 0.264
3A9E Crystal structure of a mixed agonist-bound RAR-alpha and antagonist-bound RXR-alpha heterodimer ligand binding domains Deposited 2009-10-24 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain I 686–698（13 aa）
Not recorded 754 (2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid × 2 REA RETINOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；290 K；200mM potassium thiocyanate, 20% PEG 3350, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K
Resolution 2.75 Å R-free 0.264
3DZU Intact PPAR gamma - RXR alpha Nuclear Receptor Complex on DNA bound with BVT.13, 9-cis Retinoic Acid and NCOA2 Peptide Deposited 2008-07-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 4 PDB declaration: hexameric
Chain E 685–697（13 aa）
Chain G 685–697（13 aa）
Not recorded ZN ZINC ION × 4 9CR (9cis)-retinoic acid × 1 PLB 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；15-18% PEG 3350, 25mM MgCl2, 100mM NH4Cl, 5mM DTT and 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 3.20 Å R-free 0.272
3DZY Intact PPAR gamma - RXR alpha Nuclear Receptor Complex on DNA bound with Rosiglitazone, 9-cis Retinoic Acid and NCOA2 Peptide Deposited 2008-07-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 4 PDB declaration: hexameric
Chain E 685–697（13 aa）
Chain G 685–697（13 aa）
Not recorded 9CR (9cis)-retinoic acid × 1 ZN ZINC ION × 4 BRL 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；15-18% PEG 3350, 25mM MgCl2, 100mM NH4Cl, 5mM DTT and 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 3.10 Å R-free 0.268
3E00 Intact PPAR gamma - RXR alpha Nuclear Receptor Complex on DNA bound with GW9662, 9-cis Retinoic Acid and NCOA2 Peptide Deposited 2008-07-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 4 PDB declaration: hexameric
Chain E 685–697（13 aa）
Chain G 685–697（13 aa）
Not recorded ZN ZINC ION × 4 9CR (9cis)-retinoic acid × 1 GW9 2-chloro-5-nitro-N-phenylbenzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；15-18% PEG 3350, 25mM MgCl2, 100mM NH4Cl, 5mM DTT and 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 3.10 Å R-free 0.276
3E7C Glucocorticoid Receptor LBD bound to GSK866 Deposited 2008-08-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 741–751（11 aa） Fragment：UNP RESIDUES 741-751
Chain H 741–751（11 aa） Fragment：UNP RESIDUES 741-751
Not recorded 866 5-amino-N-[(2S)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide × 2 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1M MES pH 6.5, 1.6M MgSO4, 0.1% betahexaglucoside, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.15 Å R-free 0.266
3E7C Glucocorticoid Receptor LBD bound to GSK866 Deposited 2008-08-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 741–751（11 aa） Fragment：UNP RESIDUES 741-751
Not recorded 866 5-amino-N-[(2S)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1M MES pH 6.5, 1.6M MgSO4, 0.1% betahexaglucoside, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.15 Å R-free 0.266
3E7C Glucocorticoid Receptor LBD bound to GSK866 Deposited 2008-08-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 741–751（11 aa） Fragment：UNP RESIDUES 741-751
Not recorded 866 5-amino-N-[(2S)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1M MES pH 6.5, 1.6M MgSO4, 0.1% betahexaglucoside, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.15 Å R-free 0.266
3E94 Crystal structure of RXRalpha ligand binding domain in complex with tributyltin and a coactivator fragment Deposited 2008-08-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：Nuclear Receptor box 2 (UNP residues 686-698)
Not recorded TBY tributylstannanyl × 2 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；PEG 4000, ammonium acetate, pH 7.5, VAPOR DIFFUSION, temperature 293K
Resolution 1.90 Å R-free 0.225
3FUG Crystal Structure of the Retinoid X Receptor Ligand Binding Domain Bound to the Synthetic Agonist 3-[4-Hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-phenyl]acrylic Acid Deposited 2009-01-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 686–698（13 aa） Fragment：NUCLEAR RECEPTOR INTERACTION MOTIF 2 (RESIDUES 686-698)
Not recorded 2E3 (2E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；20% PEG 4000, 0.1M TRIS, 1M AMMONIUM ACETATE, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.241
3FUG Crystal Structure of the Retinoid X Receptor Ligand Binding Domain Bound to the Synthetic Agonist 3-[4-Hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-phenyl]acrylic Acid Deposited 2009-01-14 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：NUCLEAR RECEPTOR INTERACTION MOTIF 2 (RESIDUES 686-698)
Not recorded 2E3 (2E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；20% PEG 4000, 0.1M TRIS, 1M AMMONIUM ACETATE, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.241
3GN8 X-ray Crystal Structure of AncGR2 in Complex with Dexamethasone Deposited 2009-03-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 734–754（21 aa） Fragment：sequence database residues 734-754
Not recorded DEX DEXAMETHASONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；0.5-0.75M ammonium acetate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.50 Å R-free 0.255
3GN8 X-ray Crystal Structure of AncGR2 in Complex with Dexamethasone Deposited 2009-03-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 734–754（21 aa） Fragment：sequence database residues 734-754
Not recorded DEX DEXAMETHASONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；0.5-0.75M ammonium acetate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.50 Å R-free 0.255
3K23 Glucocorticoid Receptor with Bound D-prolinamide 11 Deposited 2009-09-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 740–751（12 aa） Fragment：UNP residues 740-751
Not recorded JZN 1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M MES 6.5, 28% PEG 5K MME, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.00 Å R-free 0.289
3K23 Glucocorticoid Receptor with Bound D-prolinamide 11 Deposited 2009-09-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 740–751（12 aa） Fragment：UNP residues 740-751
Not recorded JZN 1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M MES 6.5, 28% PEG 5K MME, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.00 Å R-free 0.289
3K23 Glucocorticoid Receptor with Bound D-prolinamide 11 Deposited 2009-09-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 740–751（12 aa） Fragment：UNP residues 740-751
Not recorded JZN 1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M MES 6.5, 28% PEG 5K MME, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.00 Å R-free 0.289
3KWY Crystal structure of RXRalpha ligand binding domain in complex with triphenyltin and a coactivator fragment Deposited 2009-12-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：Nuclear Receptor box 2 (UNP residue 686-698)
Not recorded T9T triphenylstannanyl × 2 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；PEG 4000, acetate ammonium, Tris-HCl, pH 7.5, VAPOR DIFFUSION, temperature 293K
Resolution 2.30 Å R-free 0.244
3KYT Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand Deposited 2009-12-07 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 686–697（12 aa） Fragment：SCR2-2
Not recorded HC2 20-HYDROXYCHOLESTEROL × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.35 Å R-free 0.298
3L03 Crystal Structure of human Estrogen Receptor alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II peptide and Estetrol (Estra-1,3,5(10)-triene-3,15 alpha,16alpha,17beta-tetrol) Deposited 2009-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa）
Chain D 686–698（13 aa）
Not recorded CL CHLORIDE ION × 1 GOL GLYCEROL × 1 4OH (14beta,15alpha,16alpha,17alpha)-estra-1,3,5(10)-triene-3,15,16,17-tetrol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；289 K；15% (v/v) ethanol, HEPES pH 7.5, MgCl2 , VAPOR DIFFUSION, SITTING DROP, temperature 289K
Resolution 1.90 Å R-free 0.220
3L0E X-ray crystal structure of a Potent Liver X Receptor Modulator Deposited 2009-12-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 740–751（12 aa） Fragment：UNP residues 740-751
Not recorded G58 N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；1:1 (v/v) ratio of the protein complex and PEG 2K MME 20%, 0.2mM MgCl2, 0.1mM TRIS HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.30 Å R-free 0.237
3L0E X-ray crystal structure of a Potent Liver X Receptor Modulator Deposited 2009-12-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 740–751（12 aa） Fragment：UNP residues 740-751
Not recorded G58 N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；1:1 (v/v) ratio of the protein complex and PEG 2K MME 20%, 0.2mM MgCl2, 0.1mM TRIS HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.30 Å R-free 0.237
3L0J Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand Deposited 2009-12-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 688–697（10 aa） Fragment：SRC2-2
Not recorded HC9 (3alpha,8alpha,22R)-cholest-5-ene-3,22-diol × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.40 Å R-free 0.283
3L0L Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand Deposited 2009-12-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 685–697（13 aa） Fragment：SRC2-2
Not recorded HC3 25-HYDROXYCHOLESTEROL × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.74 Å R-free 0.252
3L0L Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand Deposited 2009-12-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 685–697（13 aa） Fragment：SRC2-2
Not recorded HC3 25-HYDROXYCHOLESTEROL × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.74 Å R-free 0.252
3O1D Structure-function study of Gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097. Deposited 2010-07-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded G72 (1R,3R,7E,17beta)-17-[(1S)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,10-secoestra-5,7-diene-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；297 K；50 mM BIS-TRIS pH6.5, 1.6 M lithium sulfate, 50 mM magnesium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 297K
Resolution 2.40 Å R-free 0.267
3O1E Structure-function of Gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097. Deposited 2010-07-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded H97 (1R,3R,7E,17beta)-17-[(1R)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1 0-secoestra-5,7-diene-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；297 K；50 mM BIS-TRIS pH6.5, 1.6 M lithium sulfate, 50 mM magnesium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 297K
Resolution 2.50 Å R-free 0.272
3OAP Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 9-cis retinoic acid and the coactivator peptide GRIP-1 Deposited 2010-08-05 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–696（11 aa） Fragment：GRIP-1, UNP residues 686-696
Not recorded 9CR (9cis)-retinoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；4-20% PEG4000, 4-16% glycerol, 0.1M Bis-Tris, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 296K
Resolution 2.05 Å R-free 0.244
3OZJ Crystal structure of human retinoic X receptor alpha complexed with bigelovin and coactivator SRC-1 Deposited 2010-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–696（11 aa） Fragment：UNP residues 686-696
Chain D 686–696（11 aa） Fragment：UNP residues 686-696
Not recorded BGV (3aR,4S,4aR,7aR,8R,9aS)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；8% v/v Tacsimate pH7.5, 20% w/v PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.10 Å
3PCU Crystal structure of human retinoic X receptor alpha ligand-binding domain complexed with LX0278 and SRC1 peptide Deposited 2010-10-22 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 687–696（10 aa） Fragment：SRC-1 peptide (UNP residues 687-696)
Not recorded LX8 2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；8% v/v Tacsimate pH8.0, 20% w/v PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å
3PLZ Human LRH1 LBD bound to GR470 Deposited 2010-11-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 740–753（14 aa） Fragment：UNP residues 740-753
Not recorded 470 (3aS,6aR)-5-[(4E)-oct-4-en-4-yl]-N,4-diphenyl-2,3,6,6a-tetrahydropentalen-3a(1H)-amine × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；0.2M ammonium sulfate, 0.1M sodium acetate trihydrate, 25% w/v polyethylene glycol 4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.75 Å R-free 0.214
3PLZ Human LRH1 LBD bound to GR470 Deposited 2010-11-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 740–753（14 aa） Fragment：UNP residues 740-753
Not recorded 470 (3aS,6aR)-5-[(4E)-oct-4-en-4-yl]-N,4-diphenyl-2,3,6,6a-tetrahydropentalen-3a(1H)-amine × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；0.2M ammonium sulfate, 0.1M sodium acetate trihydrate, 25% w/v polyethylene glycol 4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.75 Å R-free 0.214
3Q95 Crystal structure of human estrogen receptor alpha LBD in complex with GRIP peptide and estriol Deposited 2011-01-07 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 686–698（13 aa）
Not recorded ESL ESTRIOL × 1 CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；289 K；0.2 M Lithium sulfate monohydrate, 0.1 M Tris pH 8.5, 25% w/v Polyethylene glycol 3,350, VAPOR DIFFUSION, SITTING DROP, temperature 289K
Resolution 2.05 Å R-free 0.241
3Q95 Crystal structure of human estrogen receptor alpha LBD in complex with GRIP peptide and estriol Deposited 2011-01-07 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 686–698（13 aa）
Not recorded ESL ESTRIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；289 K；0.2 M Lithium sulfate monohydrate, 0.1 M Tris pH 8.5, 25% w/v Polyethylene glycol 3,350, VAPOR DIFFUSION, SITTING DROP, temperature 289K
Resolution 2.05 Å R-free 0.241
3R5M Crystal structure of RXRalphaLBD complexed with the agonist magnolol Deposited 2011-03-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 687–696（10 aa） Fragment：UNP residues 687-696
Chain D 687–696（10 aa） Fragment：UNP residues 687-696
Not recorded MLO 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；20% PEG3350, 100 mM Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.80 Å R-free 0.293
3UP0 Nuclear receptor DAF-12 from hookworm Ancylostoma ceylanicum in complex with (25S)-delta7-dafachronic acid Deposited 2011-11-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain P 740–753（14 aa） Fragment：nuclear receptor binding motif (UNP residues 740-753)
Not recorded D7S (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions SITTING DROP；pH 5.1；293 K；26% w/v PEG2000, 0.2 M ammonium acetate, pH 5.1, SITTING DROP, temperature 293K
Resolution 1.60 Å R-free 0.202
3UP0 Nuclear receptor DAF-12 from hookworm Ancylostoma ceylanicum in complex with (25S)-delta7-dafachronic acid Deposited 2011-11-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain Q 740–753（14 aa） Fragment：nuclear receptor binding motif (UNP residues 740-753)
Not recorded D7S (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions SITTING DROP；pH 5.1；293 K；26% w/v PEG2000, 0.2 M ammonium acetate, pH 5.1, SITTING DROP, temperature 293K
Resolution 1.60 Å R-free 0.202
3UP3 Nuclear receptor DAF-12 from hookworm Ancylostoma ceylanicum in complex with (25S)-cholestenoic acid Deposited 2011-11-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain P 741–754（14 aa） Fragment：nuclear receptor binding motif (UNP residues 741-754)
Not recorded XCA (8alpha,10alpha,25S)-3-hydroxycholesta-3,5-dien-26-oic acid × 1 EDO 1,2-ETHANEDIOL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions 293 K；20% w/v PEG3350, 0.2 M diammonium tartrate, SITTING DROP, temperature 293K
Resolution 1.25 Å R-free 0.180
4DOS Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to DLPC and a Fragment of TIF-2 Deposited 2012-02-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 740–753（14 aa） Fragment：NR Box 3, UNP residues 740-753
Chain C 740–753（14 aa） Fragment：NR Box 3, UNP residues 740-753
Not recorded 1PE PENTAETHYLENE GLYCOL × 3 PLC DIUNDECYL PHOSPHATIDYL CHOLINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions hanging drop vapor diffusion；pH 5.2；298 K；18%-24% PEG 400, 5% glycerol, 0.1M lithium sulfate, and 0.1M sodium acetate pH 5.2, hanging drop vapor diffusion, temperature 298K
Resolution 2.00 Å R-free 0.238
4DOS Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to DLPC and a Fragment of TIF-2 Deposited 2012-02-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 740–753（14 aa） Fragment：NR Box 3, UNP residues 740-753
Chain C 740–753（14 aa） Fragment：NR Box 3, UNP residues 740-753
Not recorded 1PE PENTAETHYLENE GLYCOL × 3 PLC DIUNDECYL PHOSPHATIDYL CHOLINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions hanging drop vapor diffusion；pH 5.2；298 K；18%-24% PEG 400, 5% glycerol, 0.1M lithium sulfate, and 0.1M sodium acetate pH 5.2, hanging drop vapor diffusion, temperature 298K
Resolution 2.00 Å R-free 0.238
4DOS Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to DLPC and a Fragment of TIF-2 Deposited 2012-02-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain B 740–753（14 aa） Fragment：NR Box 3, UNP residues 740-753
Chain C 740–753（14 aa） Fragment：NR Box 3, UNP residues 740-753
Not recorded 1PE PENTAETHYLENE GLYCOL × 6 PLC DIUNDECYL PHOSPHATIDYL CHOLINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions hanging drop vapor diffusion；pH 5.2；298 K；18%-24% PEG 400, 5% glycerol, 0.1M lithium sulfate, and 0.1M sodium acetate pH 5.2, hanging drop vapor diffusion, temperature 298K
Resolution 2.00 Å R-free 0.238
4E2J X-Ray Crystal Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with mometasone furoate and TIF-2 coactivator fragment Deposited 2012-03-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 741–752（12 aa） Fragment：nuclear receptor box 3, UNP residues 741-752
Not recorded GOL GLYCEROL × 1 MOF MOMETASONE FUROATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；1.5-3 M ammonium formate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.50 Å R-free 0.255
4E2J X-Ray Crystal Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with mometasone furoate and TIF-2 coactivator fragment Deposited 2012-03-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 741–752（12 aa） Fragment：nuclear receptor box 3, UNP residues 741-752
Not recorded GOL GLYCEROL × 1 MOF MOMETASONE FUROATE × 1 FMT FORMIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；1.5-3 M ammonium formate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.50 Å R-free 0.255
4FHH Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D receptor agonism and histone deacetylase inhibition Deposited 2012-06-06 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：UNP RESIDUES 686-698
Not recorded 0U3 N-hydroxy-2-{4-[3-(4-{[(2S)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；Bis Tris 0.1M, lithium sulfate 1.6M and magnesium sulfate 50 mM, VAPOR DIFFUSION, HANGING DROP, temperature 291K, pH 6.5
Resolution 2.33 Å R-free 0.258
4IA1 Diastereotopic and Deuterium Effects in Gemini Deposited 2012-12-06 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：unp residues 686-698
Not recorded BIV 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E) × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；Bis Tris 0.1M, lithium sulfate 1.6M and magnesium sulfate 50 mM , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.44 Å R-free 0.260
4IA2 Diastereotopic and Deuterium Effects in Gemini Deposited 2012-12-06 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：LXXLL peptide unp residues 686-698
Not recorded BIV 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E) × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；Bis-Tris 0.1 M, lithium sulfate 1.6 M and magnesium sulfate 50 mM , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.95 Å R-free 0.256
4IA3 Diastereotopic and Deuterium Effects in Gemini Deposited 2012-12-06 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：LXXLL peptide (unp residues 686-698)
Not recorded BIV 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E) × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；Bis-Tris 0.1 M, lithium sulfate 1.6 M and magnesium sulfate 50 mM , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.70 Å R-free 0.260
4IA7 Diastereotopic and Deuterium Effects in Gemini Deposited 2012-12-06 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：LXXLL peptide (unp residues 686-698)
Not recorded BIV 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E) × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；Bis-Tris 0.1 M, lithium sulfate 1.6 M and magnesium sulfate 50 mM , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.70 Å R-free 0.255
4IQR Multi-Domain Organization of the HNF4alpha Nuclear Receptor Complex on DNA Deposited 2013-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 4 PDB declaration: hexameric
Chain I 685–697（13 aa） Fragment：LxxLL motif peptide (unp residues 685-697)
Chain J 685–697（13 aa） Fragment：LxxLL motif peptide (unp residues 685-697)
Not recorded MYR MYRISTIC ACID × 2 ZN ZINC ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1M MES, 25mM NH4Cl, 25mM MgCl2 and PEG 3350 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.90 Å R-free 0.278
4IQR Multi-Domain Organization of the HNF4alpha Nuclear Receptor Complex on DNA Deposited 2013-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein–DNA Heteromer；Protein × 4 PDB declaration: hexameric
Chain K 685–697（13 aa） Fragment：LxxLL motif peptide (unp residues 685-697)
Chain L 685–697（13 aa） Fragment：LxxLL motif peptide (unp residues 685-697)
Not recorded MYR MYRISTIC ACID × 2 ZN ZINC ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1M MES, 25mM NH4Cl, 25mM MgCl2 and PEG 3350 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.90 Å R-free 0.278
4IU7 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 2b Deposited 2013-01-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Not recorded 1GM 4-[2-ethyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.29 Å R-free 0.237
4IU7 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 2b Deposited 2013-01-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Not recorded 1GM 4-[2-ethyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.29 Å R-free 0.237
4IU7 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 2b Deposited 2013-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Chain D 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Not recorded 1GM 4-[2-ethyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.29 Å R-free 0.237
4IUI Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY derivative, 4a Deposited 2013-01-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Chain D 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Not recorded 1GQ 4-[1-butyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.30 Å R-free 0.312
4IV2 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 5a Deposited 2013-01-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Chain D 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Not recorded 1GR 4-[1-(2-methylpropyl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.14 Å R-free 0.226
4IV4 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 5b Deposited 2013-01-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Chain D 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Not recorded 1GS 4-[2-(2-methylpropyl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.30 Å R-free 0.237
4IVW Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 6b Deposited 2013-01-23 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Not recorded 1GJ 4-[2-benzyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.06 Å R-free 0.230
4IVW Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 6b Deposited 2013-01-23 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Not recorded 1GJ 4-[2-benzyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.06 Å R-free 0.230
4IVW Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 6b Deposited 2013-01-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Chain D 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Not recorded 1GJ 4-[2-benzyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.06 Å R-free 0.230
4IVY Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 7a Deposited 2013-01-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Chain D 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Not recorded 1GT 4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 1.95 Å R-free 0.232
4IW6 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 7b Deposited 2013-01-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Chain D 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Not recorded 1GU 4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 1.98 Å R-free 0.227
4IW8 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 9a Deposited 2013-01-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Chain D 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Not recorded KN3 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.04 Å R-free 0.247
4IWC Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with a Dynamic Thiophene-derivative Deposited 2013-01-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Chain D 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Not recorded 1GV 4,4'-thiene-2,5-diylbis(3-methylphenol) × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.24 Å R-free 0.227
4IWF Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with a Dynamic Oxime-derivative Deposited 2013-01-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Chain D 687–696（10 aa） Fragment：Receptor-interacting peptide, UNP residues 687-696
Not recorded 15Q 2-chloro-3'-fluoro-3-[(E)-(hydroxyimino)methyl]biphenyl-4,4'-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M magnesium chloride, 0.067M sodium chloride, 0.1M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 1.93 Å R-free 0.209
4K4J Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 9cUAB30 and the coactivator peptide GRIP-1 Deposited 2013-04-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：coactivator peptide, UNP residues 686-698
Not recorded 1O8 (2E,4E,6Z,8E)-8-(3,4-dihydronaphthalen-1(2H)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；5-10% PEG4000, 2-5% Glycerol, 0.1M Bis-Tris, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.00 Å R-free 0.283
4K6I Crystal structure of human retinoid X receptor alpha-ligand binding domain complex with Targretin and the coactivator peptide GRIP-1 Deposited 2013-04-15 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：coactivator peptide, UNP residues 686-698
Not recorded 9RA 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；5-15% PEG4000, 6-12% Glycerol, 0.1M Bis-Tris pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.10 Å R-free 0.288
4M8E CRYSTAL STRUCTURE OF HUMAN RETINOID X RECEPTOR ALPHA-LIGAND BINDING DOMAIN COMPLEX WITH (S) 4-Methyl 9cUAB30 COACTIVATOR PEPTIDE GRIP-1 Deposited 2013-08-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–696（11 aa） Fragment：GRIP-1, UNP RESIDUES 686-696
Not recorded 29V (3E,6Z,8E)-3,7-dimethyl-8-[(4S)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-3,6-dienoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；4-20% PEG4000, 4-16% GLYCEROL, 0.1M BIS-TRIS, PH7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295K
Resolution 2.40 Å R-free 0.247
4M8H CRYSTAL STRUCTURE OF HUMAN RETINOID X RECEPTOR ALPHA-LIGAND BINDING DOMAIN COMPLEX WITH (R)4-METHYL 9cUAB30 AND COACTIVATOR PEPTIDE GRIP-1 Deposited 2013-08-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–696（11 aa） Fragment：GRIP-1, UNP RESIDUES 686-696
Not recorded R4M (2E,6Z,8E)-3,7-dimethyl-8-[(4R)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-2,6-dienoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；4-20% PEG4000, 4-16% GLYCEROL, 0.1M BIS-TRIS, PH7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295K
Resolution 2.20 Å R-free 0.265
4NQA Crystal structure of liganded hRXR-alpha/hLXR-beta heterodimer on DNA Deposited 2013-11-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 4 PDB declaration: hexameric
Chain C 686–698（13 aa） Fragment：peptide (UNP residues 686-698)
Chain D 686–698（13 aa） Fragment：peptide (UNP residues 686-698)
Not recorded 9CR (9cis)-retinoic acid × 1 ZN ZINC ION × 4 965 [3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；6% PEG8000, 18% isopropanol, 0.05 M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 3.10 Å R-free 0.218
4NQA Crystal structure of liganded hRXR-alpha/hLXR-beta heterodimer on DNA Deposited 2013-11-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein–DNA Heteromer；Protein × 4 PDB declaration: hexameric
Chain J 686–698（13 aa） Fragment：peptide (UNP residues 686-698)
Chain K 686–698（13 aa） Fragment：peptide (UNP residues 686-698)
Not recorded 9CR (9cis)-retinoic acid × 1 ZN ZINC ION × 4 965 [3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；6% PEG8000, 18% isopropanol, 0.05 M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 3.10 Å R-free 0.218
4OC7 Retinoic acid receptor alpha in complex with (E)-3-(3'-allyl-6-hydroxy-[1,1'-biphenyl]-3-yl)acrylic acid and a fragment of the coactivator TIF2 Deposited 2014-01-08 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：nuclear receptor interaction motif 2 (residues 686-698)
Not recorded 2QO (2E)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1 M Na HEPES pH 7.5, 20% PEG 2000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.50 Å R-free 0.242
4P6W Crystal Structure of mometasone furoate-bound glucocorticoid receptor ligand binding domain Deposited 2014-03-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 741–752（12 aa） Fragment：SRC2-3 peptide (UNP residues 741-752)
Not recorded MOF MOMETASONE FUROATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1 M imidazole, pH6.5, and 1 M sodium acetate trihydrate. 30% sucrose
Resolution 1.95 Å R-free 0.225
4P6X Crystal Structure of cortisol-bound glucocorticoid receptor ligand binding domain Deposited 2014-03-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 740–753（14 aa） Fragment：SRC2-3 peptide longer version (UNP residues 740-753)
Not recorded HCY (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1 M imidazole, pH6.5, and 1 M sodium acetate trihydrate. 30% sucrose
Resolution 2.50 Å R-free 0.276
4P6X Crystal Structure of cortisol-bound glucocorticoid receptor ligand binding domain Deposited 2014-03-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 740–753（14 aa） Fragment：SRC2-3 peptide longer version (UNP residues 740-753)
Not recorded HCY (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1 M imidazole, pH6.5, and 1 M sodium acetate trihydrate. 30% sucrose
Resolution 2.50 Å R-free 0.276
4P6X Crystal Structure of cortisol-bound glucocorticoid receptor ligand binding domain Deposited 2014-03-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 740–753（14 aa） Fragment：SRC2-3 peptide longer version (UNP residues 740-753)
Not recorded HCY (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1 M imidazole, pH6.5, and 1 M sodium acetate trihydrate. 30% sucrose
Resolution 2.50 Å R-free 0.276
4P6X Crystal Structure of cortisol-bound glucocorticoid receptor ligand binding domain Deposited 2014-03-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 740–753（14 aa） Fragment：SRC2-3 peptide longer version (UNP residues 740-753)
Not recorded HCY (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1 M imidazole, pH6.5, and 1 M sodium acetate trihydrate. 30% sucrose
Resolution 2.50 Å R-free 0.276
4P6X Crystal Structure of cortisol-bound glucocorticoid receptor ligand binding domain Deposited 2014-03-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain J 740–753（14 aa） Fragment：SRC2-3 peptide longer version (UNP residues 740-753)
Not recorded HCY (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1 M imidazole, pH6.5, and 1 M sodium acetate trihydrate. 30% sucrose
Resolution 2.50 Å R-free 0.276
4P6X Crystal Structure of cortisol-bound glucocorticoid receptor ligand binding domain Deposited 2014-03-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain L 740–753（14 aa） Fragment：SRC2-3 peptide longer version (UNP residues 740-753)
Not recorded HCY (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1 M imidazole, pH6.5, and 1 M sodium acetate trihydrate. 30% sucrose
Resolution 2.50 Å R-free 0.276
4PLD Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, in its apo State Bound to a Fragment of Human TIF-2 Deposited 2014-05-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 740–753（14 aa） Fragment：UNP RESIDUES 740-753
Not recorded CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；0.7-1 M di-Sodium Malonate, 0.1 M HEPES pH 7.4, 0.5% Jeffamine ED-2001
Resolution 1.75 Å R-free 0.225
4PLE Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to an E. Coli Phospholipid and a Fragment of TIF-2 Deposited 2014-05-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 740–753（14 aa） Fragment：UNP residues 740-753
Not recorded EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE × 1 CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；0.7-1 M di-Sodium Malonate, 0.1 M HEPES pH 7.4, 0.5% Jeffamine ED-2001
Resolution 1.75 Å R-free 0.236
4PLE Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to an E. Coli Phospholipid and a Fragment of TIF-2 Deposited 2014-05-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 740–753（14 aa） Fragment：UNP residues 740-753
Not recorded EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE × 1 CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；0.7-1 M di-Sodium Malonate, 0.1 M HEPES pH 7.4, 0.5% Jeffamine ED-2001
Resolution 1.75 Å R-free 0.236
4PLE Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to an E. Coli Phospholipid and a Fragment of TIF-2 Deposited 2014-05-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 740–753（14 aa） Fragment：UNP residues 740-753
Not recorded EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE × 1 CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；0.7-1 M di-Sodium Malonate, 0.1 M HEPES pH 7.4, 0.5% Jeffamine ED-2001
Resolution 1.75 Å R-free 0.236
4PLE Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to an E. Coli Phospholipid and a Fragment of TIF-2 Deposited 2014-05-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 740–753（14 aa） Fragment：UNP residues 740-753
Not recorded EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE × 1 CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；0.7-1 M di-Sodium Malonate, 0.1 M HEPES pH 7.4, 0.5% Jeffamine ED-2001
Resolution 1.75 Å R-free 0.236
4POH Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 8-methyl UAB30 and the coactivator peptide GRIP-1 Deposited 2014-02-25 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：Coactivator peptide, UNP residues 686-698
Not recorded 2VR (2E,4E,6Z,8E)-3,7-dimethyl-8-(8-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；4-12% PEG4000, 3-12% Glycerol, 0.1M Bis-Tris, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.30 Å R-free 0.265
4POJ Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 7-methyl UAB30 and the coactivator peptide GRIP-1 Deposited 2014-02-25 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：Coactivator peptide, UNP residues 686-698
Not recorded 2VP (2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；4-12% PEG4000, 3-12% Glycerol, 0.1M Bis-Tris, pH 7.0 , VAPOR DIFFUSION, HANGING DROP
Resolution 2.00 Å R-free 0.261
4PP3 Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 6-methyl UAB30 and the coactivator peptide GRIP-1 Deposited 2014-02-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：Coactivator peptide, UNP residues 686-698
Not recorded 2VZ (2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；4-12% PEG4000, 3-12% Glycerol, 0.1M Bis-Tris, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.00 Å R-free 0.275
4PP5 Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 5-methyl UAB30 and the coactivator peptide GRIP-1 Deposited 2014-02-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：Coactivator peptide, UNP residues 686-698
Not recorded 2W0 (2E,4E,6Z,8E)-3,7-dimethyl-8-(5-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；4-12% PEG4000, 3-12% Glycerol, 0.1M Bis-Tris, pH 7.0 , VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.00 Å R-free 0.250
4PP6 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Resveratrol Deposited 2014-02-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 688–696（9 aa） Fragment：receptor-interacting peptide (UNP residues 688-696)
Chain D 688–696（9 aa） Fragment：receptor-interacting peptide (UNP residues 688-696)
Not recorded STL RESVERATROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG3350, 0.05 M magnesium chloride, 0.067 M sodium chloride, 0.1 M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.20 Å R-free 0.221
4PPP Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Fluoro-Resveratrol Deposited 2014-02-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 688–696（9 aa） Fragment：receptor-interacting peptide (UNP residues 688-696)
Chain D 688–696（9 aa） Fragment：receptor-interacting peptide (UNP residues 688-696)
Not recorded FSV 5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG3350, 0.05 M magnesium chloride, 0.067 M sodium chloride, 0.1 M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.69 Å R-free 0.247
4PPS Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with an A-CD ring estrogen derivative Deposited 2014-02-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 687–698（12 aa） Fragment：receptor-interacting peptide (UNP residues 687-698)
Chain D 687–698（12 aa） Fragment：receptor-interacting peptide (UNP residues 687-698)
Not recorded ESE (1S,3aR,5R,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG3350, 0.05 M magnesium chloride, 0.067 M sodium chloride, 0.1 M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 1.93 Å R-free 0.202
4PXM The Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant in Complex with Estradiol and a glucocorticoid receptor-interacting protein 1 NR box II peptide Deposited 2014-03-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa）
Chain D 686–698（13 aa）
Not recorded EST ESTRADIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298.15 K；20% PEG 3,350, 1 mM Phenylalanine, 64 mM NaCl, 50 mM MgCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.15K
Resolution 1.90 Å R-free 0.214
4Q0A Vitamin D Receptor complex with lithocholic acid Deposited 2014-04-01 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 687–695（9 aa） Fragment：peptide
Not recorded 4OA (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；290 K；BTP 0.1M, NaOAc 3M, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 290K
Resolution 1.90 Å R-free 0.244
4QE8 FXR with DM175 and NCoA-2 peptide Deposited 2014-05-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 740–752（13 aa） Fragment：unp residues 740-752
Not recorded 31D 4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid × 1 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；277 K；300 mM MgCl2, 100 mM Bis-Tris, 15-20% PEG 3350, pH 7, VAPOR DIFFUSION, temperature 277K
Resolution 2.62 Å R-free 0.273
4QE8 FXR with DM175 and NCoA-2 peptide Deposited 2014-05-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 740–752（13 aa） Fragment：unp residues 740-752
Not recorded 31D 4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid × 1 EDO 1,2-ETHANEDIOL × 3 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；277 K；300 mM MgCl2, 100 mM Bis-Tris, 15-20% PEG 3350, pH 7, VAPOR DIFFUSION, temperature 277K
Resolution 2.62 Å R-free 0.273
4RFW Crystal structure of human retinoid X Receptor alpha-ligand binding domain complex with 9cUAB70 and the coactivator peptide GRIP-1 Deposited 2014-09-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain G 686–698（13 aa） Fragment：coactivator peptide LXXLL motif 2, residues 686-698
Not recorded 3RB (2E,4E,6Z,8E)-3,7-dimethyl-8-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylidene)octa-2,4,6-trienoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；5-12% PEG4000, 3-12 Glycerol, 0.1 Bis-Tris pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.40 Å R-free 0.261
4RMC Crystal Structure of human retinoid X receptor alpha-ligand binding domain complex with 9cUAB76 and the coactivator peptide GRIP-1 Deposited 2014-10-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：coactivator peptide residues 686-698
Not recorded 3SV (3S,7S,8E)-8-[3-ethyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethyloctanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；5-15% PEG4000, 4-12% Glycerol, 0.1M Bis-Tris, pH=7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.70 Å R-free 0.265
4RMD Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB110 and coactivator peptide GRIP-1 Deposited 2014-10-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：coactivator peptide residues 686-698
Not recorded 3SW (2E,4E,6Z,8E)-8-[3-cyclopropyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；5-15% PEG4000, 4-12% Glycerol, 0.1M Bis-Tris pH=7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.90 Å R-free 0.239
4RME Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB111 and coactivator peptide GRIP-1 Deposited 2014-10-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：coactivator peptide residues 686-698
Not recorded 3T2 (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-(propan-2-yl)cyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；5-15% PEG4000, 4-12% Glycerol, 0.1M Bis-Tris pH=7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.30 Å R-free 0.273
4RUO Crystal structure of zVDR L337H mutant-gemini complex Deposited 2014-11-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa） Fragment：UNP residues 686-698
Not recorded BIV 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E) × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；Bis-Tris 0.1 M, lithium sulfate 1.6 M and magnesium sulfate 50 mM, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.81 Å R-free 0.261
4UDC GR in complex with dexamethasone Deposited 2014-12-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 740–753（14 aa） Fragment：RESIDUES 740-753
Not recorded CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 1 DEX DEXAMETHASONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；10% PEG8000, 10% ETHYLENE GLYCOL, 0.1 M HEPES PH 7.5
Resolution 2.50 Å R-free 0.253
4UDD GR in complex with desisobutyrylciclesonide Deposited 2014-12-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 740–753（14 aa） Fragment：RESIDUES 740-753
Not recorded CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 3 EDO 1,2-ETHANEDIOL × 1 CV7 DESISOBUYTYRYL CICLESONIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；10% PEG8000, 20% ETHYLENE GLYCOL, 0.1 M HEPES PH 7.5
Resolution 1.80 Å R-free 0.224
4WG0 Crystal structure of a tridecameric superhelix Deposited 2014-09-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 13 PDB declaration: tridecameric
Chain A 740–752（13 aa） Fragment：UNP Residues 740-752
Chain B 740–752（13 aa） Fragment：UNP Residues 740-752
Chain C 740–752（13 aa） Fragment：UNP Residues 740-752
Chain D 740–752（13 aa） Fragment：UNP Residues 740-752
Chain E 740–752（13 aa） Fragment：UNP Residues 740-752
Chain F 740–752（13 aa） Fragment：UNP Residues 740-752
Chain G 740–752（13 aa） Fragment：UNP Residues 740-752
Chain H 740–752（13 aa） Fragment：UNP Residues 740-752
Chain I 740–752（13 aa） Fragment：UNP Residues 740-752
Chain J 740–752（13 aa） Fragment：UNP Residues 740-752
Chain K 740–752（13 aa） Fragment：UNP Residues 740-752
Chain L 740–752（13 aa） Fragment：UNP Residues 740-752
Chain M 740–752（13 aa） Fragment：UNP Residues 740-752
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 24 CHD CHOLIC ACID × 13 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 3.5；298 K；2M ammonium sulfate, 5-10% glycerol, 0.1 M citric acid pH 3.5
Resolution 1.82 Å R-free 0.218
4ZN7 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Diethylstilbestrol Deposited 2015-05-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Not recorded DES DIETHYLSTILBESTROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 1.93 Å R-free 0.226
4ZN9 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Oxabicyclic Heptene Sulfonate (OBHS) Deposited 2015-05-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：UNP residues 686-698
Chain D 686–698（13 aa） Fragment：UNP residues 686-698
Not recorded OBH cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.21 Å R-free 0.242
4ZNH Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Fluoro-substituted OBHS derivative Deposited 2015-05-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：UNP residues 686-698
Chain D 686–698（13 aa） Fragment：UNP residues 686-698
Not recorded OBC 2-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 1.93 Å R-free 0.251
4ZNS Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 3-Fluoro-substituted OBHS derivative Deposited 2015-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：UNP residues 686-698
Chain D 686–698（13 aa） Fragment：UNP residues 686-698
Not recorded OFB 3-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 1.86 Å R-free 0.236
4ZNT Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 3-Bromo-substituted OBHS derivative Deposited 2015-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：UNP residues 686-698
Chain D 686–698（13 aa） Fragment：UNP residues 686-698
Not recorded OBB 3-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 1.90 Å R-free 0.214
4ZNU Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Methyl-substituted OBHS derivative Deposited 2015-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：UNP residues 686-698
Chain D 686–698（13 aa） Fragment：UNP residues 686-698
Not recorded 4Q9 2-methylphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.40 Å R-free 0.245
4ZNV Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Methoxy-substituted OBHS derivative Deposited 2015-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：UNP residues 686-698
Chain D 686–698（13 aa） Fragment：UNP residues 686-698
Not recorded 4Q7 2-methoxyphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 1.77 Å R-free 0.197
4ZNW Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 4-Bromo-substituted OBHS derivative Deposited 2015-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：UNP residues 686-698
Chain D 686–698（13 aa） Fragment：UNP residues 686-698
Not recorded OBM 4-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.31 Å R-free 0.236
5DI7 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with an methyl-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol Deposited 2015-08-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5CQ (1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.24 Å R-free 0.213
5DID Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a difluoro-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol Deposited 2015-08-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa）
Chain D 686–699（14 aa）
Not recorded 5CK (1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.24 Å R-free 0.228
5DIE Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a trifluoro-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1H-inden-1-ol Deposited 2015-08-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5CJ (1S,3aR,5S,7aS)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1H-inden-1-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.24 Å R-free 0.247
5DIG Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a trifluoromethyl-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol Deposited 2015-09-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5CE (1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.24 Å R-free 0.212
5DK9 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a phenylamino-substituted ethyl triaryl-ethylene derivative 4,4'-{2-[3-(phenylamino)phenyl]but-1-ene-1,1-diyl}diphenol Deposited 2015-09-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5CC 4,4'-{2-[3-(phenylamino)phenyl]but-1-ene-1,1-diyl}diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.28 Å R-free 0.238
5DKB Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 3-methylphenylamino-substituted ethyl triaryl-ethylene derivative 4,4'-(2-{3-[(3-methylphenyl)amino]phenyl}but-1-ene-1,1-diyl)diphenol Deposited 2015-09-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5C9 4,4'-(2-{3-[(3-methylphenyl)amino]phenyl}but-1-ene-1,1-diyl)diphenol × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.40 Å R-free 0.226
5DKG Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a t-butyl-substituted, methyl, triaryl-ethylene derivative 4,4'-[2-(4-tert-butylphenyl)prop-1-ene-1,1-diyl]diphenol Deposited 2015-09-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5C7 4,4'-[2-(4-tert-butylphenyl)prop-1-ene-1,1-diyl]diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.15 Å R-free 0.233
5DKS Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 2-naphthylamino-substituted, ethyl, triaryl-ethylene derivative 4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol Deposited 2015-09-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5C6 4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.60 Å R-free 0.260
5DL4 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a phenylamino-substituted, methyl, triaryl-ethylene derivative 4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol Deposited 2015-09-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5C4 4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.10 Å R-free 0.214
5DLR Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a triaryl-ethylene compound 4,4'-(2-phenylethene-1,1-diyl)diphenol Deposited 2015-09-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5DJ 4,4'-(2-phenylethene-1,1-diyl)diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.26 Å R-free 0.232
5DMC Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a nitrile-substituted triaryl-ethylene derivative 3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile Deposited 2015-09-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5DH 3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.40 Å R-free 0.246
5DMF Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 4-fluorophenylamino-substituted, methyl triaryl-ethylene derivative 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol Deposited 2015-09-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5DG 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.40 Å R-free 0.254
5DRM Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dichloro-substituted, 2,5-diarylthiophene-core ligand 4,4'-thiene-2,5-diylbis(3-chlorophenol) Deposited 2015-09-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa）
Chain D 686–699（14 aa）
Not recorded 5ET 4,4'-thiene-2,5-diylbis(3-chlorophenol) × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.24 Å R-free 0.215
5DTV Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dimethyl-substituted, 3,4-diarylthiophene dioxide core ligand Deposited 2015-09-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa）
Chain D 686–699（14 aa）
Not recorded 5FS 3,4-bis(4-hydroxy-2-methylphenyl)-1H-1lambda~6~-thiophene-1,1-dione × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.29 Å R-free 0.247
5DU5 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dichloro-substituted, 3,4-diarylthiophene dioxide core ligand Deposited 2015-09-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa）
Chain D 686–699（14 aa）
Not recorded 5G2 3,4-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~6~-thiophene-1,1-dione × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.19 Å R-free 0.250
5DUE Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a para-Hydroxyl-substituted, Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-2 Analog 4-hydroxyphenyl (1S,2S,4S,5S,6R,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]heptane-2-sulfonate 7-oxide Deposited 2015-09-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5FY 4-hydroxyphenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.09 Å R-free 0.238
5DUG Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-2 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide Deposited 2015-09-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5FV phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.25 Å R-free 0.233
5DUH Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-3 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide Deposited 2015-09-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5FT phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.24 Å R-free 0.239
5DVS Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a 2-Methyl-substituted Triaryl-imine 4,4'-[(2-methylphenyl)carbonimidoyl]diphenol Deposited 2015-09-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5G7 4,4'-[(2-methylphenyl)carbonimidoyl]diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.28 Å R-free 0.263
5DVV Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Triaryl-imine analog 4,4'-(phenylcarbonimidoyl)diphenol Deposited 2015-09-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5G6 4,4'-(phenylcarbonimidoyl)diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.50 Å R-free 0.258
5DWE Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a 2-Chloro-substituted Triaryl-imine analog 4,4'-[(2-chlorophenyl)carbonimidoyl]diphenol Deposited 2015-09-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5G5 4,4'-[(2-chlorophenyl)carbonimidoyl]diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 1.92 Å R-free 0.238
5DWG Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Triaryl-substituted Imine Analog, 4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol Deposited 2015-09-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5G4 4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.30 Å R-free 0.254
5DWI Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Resorcinyl 2-Chloro-substituted Diaryl-imine analog 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol Deposited 2015-09-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5G3 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.43 Å R-free 0.231
5DWJ Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Resorcinyl 4-Fluoro-substituted Diaryl-imine analog 4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol Deposited 2015-09-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5J2 4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.00 Å R-free 0.232
5DX3 Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-P3 and Estradiol Deposited 2015-09-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 687–697（11 aa）
Chain D 687–697（11 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) EST ESTRADIOL × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；15% PEG 3,350, 200 mM MgCl2, 100 mM Tris pH 8.0
Resolution 2.09 Å R-free 0.257
5DXB Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-P1 and Estradiol Deposited 2015-09-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 687–697（11 aa）
Chain E 687–697（11 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) EST ESTRADIOL × 2 GOL GLYCEROL × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；20% PEG 3,350, 200 mM MgCl2, 100 mM Tris pH 8.0
Resolution 2.08 Å R-free 0.210
5DXE Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-P4 and Estradiol Deposited 2015-09-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 687–697（11 aa）
Chain D 687–697（11 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) EST ESTRADIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；20% PEG 3,350, 200 mM MgCl2, 100 mM Tris pH 8.0
Resolution 1.50 Å R-free 0.201
5DXK Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol Deposited 2015-09-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5J1 4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.23 Å R-free 0.226
5DXM Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol Deposited 2015-09-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5J0 3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.37 Å R-free 0.232
5DXP Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol Deposited 2015-09-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5HX 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.20 Å R-free 0.235
5DXQ Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol Deposited 2015-09-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5HZ 4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.40 Å R-free 0.239
5DXR Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3R)-3-methylcyclohexylidene]methanediyl}diphenol Deposited 2015-09-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5HW 4,4'-{[(3R)-3-methylcyclohexylidene]methanediyl}diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.28 Å R-free 0.235
5DY8 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-ethylcyclohexylidene]methanediyl}diphenol Deposited 2015-09-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5K4 4,4'-{[(3S)-3-ethylcyclohexylidene]methanediyl}diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.03 Å R-free 0.243
5DYB Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol Deposited 2015-09-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5K2 4,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.27 Å R-free 0.238
5DZ1 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol Deposited 2015-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5JY 4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.20 Å R-free 0.239
5DZ3 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[4-(fluoromethyl)cyclohexylidene]methanediyl}diphenol Deposited 2015-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5JX 4,4'-{[4-(fluoromethyl)cyclohexylidene]methanediyl}diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.15 Å R-free 0.234
5DZH Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol Deposited 2015-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5KG 4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.11 Å R-free 0.220
5DZI Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol Deposited 2015-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5KF 4,4'-{[(3S)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 1.90 Å R-free 0.214
5E0W Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol Deposited 2015-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5KE 4,4'-{[(3S)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.00 Å R-free 0.226
5E0X Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol Deposited 2015-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5KD 4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.01 Å R-free 0.237
5E14 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol Deposited 2015-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5KB 4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.22 Å R-free 0.255
5E19 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate Deposited 2015-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5K7 methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.24 Å R-free 0.233
5E1C Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate Deposited 2015-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–699（14 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 5K8 dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 1.98 Å R-free 0.214
5G3J Discovery of New Selective Glucocorticoid Receptor Agonist Leads Deposited 2016-04-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 740–753（14 aa） Fragment：RESIDUES 740-753
Not recorded CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 1 EDO 1,2-ETHANEDIOL × 1 E7T 5-[[(1S,2R,4R)-4-ethyl-6,7-bis(fluoranyl)-2,5-bis(oxidanyl)-2-(trifluoromethyl)-3,4-dihydro-1H-naphthalen-1-yl]amino]-1H-quinolin-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；8% PEG8000, 15% ETHYLENE GLYCOL AND 0.1 M HEPES PH 7.5
Resolution 2.40 Å R-free 0.235
5G5W Structure guided design and discovery of Indazole ethers as highly potent, non-steroidal Glucocorticoid receptor modulators Deposited 2016-06-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 740–753（14 aa） Fragment：RESIDUES 740-753
Not recorded EDO 1,2-ETHANEDIOL × 1 R8C 2,2,2-trifluoro-N-[(1R,2S)-1-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；12% PEG8000, 20% ETHYLENE GLYCOL AND 0.1 M HEPES PH 7.5
Resolution 2.20 Å R-free 0.210
5H1E Interaction between vitamin D receptor and coactivator peptide SRC2-3 Deposited 2016-10-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 740–752（13 aa） Fragment：UNP RESIDUES 740-752
Not recorded VDX 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；MOP-Na, Na-Formate, PEG 4000, Ethleneglycol
Resolution 2.60 Å R-free 0.248
5I4V Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists Deposited 2016-02-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 687–699（13 aa）
Chain B 687–699（13 aa）
Mutation：Q259A, R261G, D262S, R264S,Q259A, R261G, D262S, R264S,Q259A, R261G, D262S, R264S,Q259A, R261G, D262S, R264S 67S {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1uL of scLXRbeta-LBD/scRXRbeta-LBD @ 10 mg protein/ml in 20 mM Tris-HCl pH 8.0, 150 mM NaCl, 5 mM DTT containing 1mM ligand and less than 2%(v/v) DMSO was mixed with 1uL of reservoir solution (0.2M LiCl, 16-20%(w/v) PEG3350, 7-10%(v/v) ethylene glycol, 0.01M Strontium chloride) on a circular, silanized glass cover slide and inverted and sealed with silicon grease over a well of 200uL of reservoir solution. Crystallization plates were incubated at 23 deg C for 2-5 days before rods would appear measuring 50 to 100um long.
Resolution 2.61 Å R-free 0.248
5I4V Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists Deposited 2016-02-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 687–699（13 aa）
Chain F 687–699（13 aa）
Mutation：Q259A, R261G, D262S, R264S,Q259A, R261G, D262S, R264S,Q259A, R261G, D262S, R264S,Q259A, R261G, D262S, R264S 67S {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1uL of scLXRbeta-LBD/scRXRbeta-LBD @ 10 mg protein/ml in 20 mM Tris-HCl pH 8.0, 150 mM NaCl, 5 mM DTT containing 1mM ligand and less than 2%(v/v) DMSO was mixed with 1uL of reservoir solution (0.2M LiCl, 16-20%(w/v) PEG3350, 7-10%(v/v) ethylene glycol, 0.01M Strontium chloride) on a circular, silanized glass cover slide and inverted and sealed with silicon grease over a well of 200uL of reservoir solution. Crystallization plates were incubated at 23 deg C for 2-5 days before rods would appear measuring 50 to 100um long.
Resolution 2.61 Å R-free 0.248
5ICK A unique binding model of FXR LBD with feroline Deposited 2016-02-23 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 742–752（11 aa） Fragment：UNP residues 742-752
Not recorded FEZ (1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；20% polyethylene glycol 3350 and 0.2 M ammonia acetate
Resolution 2.47 Å R-free 0.277
5ICK A unique binding model of FXR LBD with feroline Deposited 2016-02-23 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 742–752（11 aa） Fragment：UNP residues 742-752
Not recorded FEZ (1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；20% polyethylene glycol 3350 and 0.2 M ammonia acetate
Resolution 2.47 Å R-free 0.277
5KCE Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl, 2-chlorobenzyl OBHS-N derivative Deposited 2016-06-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Not recorded OB3 (1S,2R,4S)-N-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 1.85 Å R-free 0.250
5MK4 Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 7 and a fragment of the TIF2 co-activator. Deposited 2016-12-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–696（11 aa） Fragment：UNP residues 686-696
Chain D 686–696（11 aa） Fragment：UNP residues 686-696
Not recorded I5W (~{E})-3-[3-(2-methyl-5-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；0.1M PIPES, pH 7.0, 0.1M NaCl, 22% PEG 2K MME
Resolution 2.00 Å R-free 0.229
5NFP Glucocorticoid Receptor in complex with budesonide Deposited 2017-03-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 740–753（14 aa）
Not recorded CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 1 EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 1 8W5 (1~{S},2~{S},4~{R},6~{R},8~{S},9~{S},11~{S},12~{S},13~{R})-9,13-dimethyl-11-oxidanyl-8-(2-oxidanylethanoyl)-6-propyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；2 ul of protein, 0.2ul of Polypropylene Glycol 400 and 0.8ul of well solution (10-12% PEG8000, 20% ethylene glycol and 0.1 M Hepes pH 7.5).
Resolution 2.10 Å R-free 0.202
5NFT Glucocorticoid Receptor in complex with AZD5423 Deposited 2017-03-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 740–753（14 aa）
Not recorded EDO 1,2-ETHANEDIOL × 3 8W8 2,2,2-tris(fluoranyl)-~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；2 ul of protein and 1ul of well solution (8-12% PEG8000, 10-20% ethylene glycol and 0.1 M Hepes pH 7.5)
Resolution 2.30 Å R-free 0.215
5SYZ Human Liver Receptor Homologue-1 (LRH-1) Bound to a RJW100 stereoisomer and a Fragment of TIF-2 Deposited 2016-08-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 740–754（15 aa） Fragment：UNP Rresidues 740-754
Not recorded 71W (1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；Sodium acetate, PEG4000, glycerol
Resolution 1.93 Å R-free 0.228
5T1Z Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Ethoxytriphenylethylene and GRIP Peptide Deposited 2016-08-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa）
Chain D 686–698（13 aa）
Not recorded Q97 4,4'-[(1Z)-1-(4-ethoxyphenyl)but-1-ene-1,2-diyl]diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；293 K；0.15 M KBr, 30% w/v MPEG 2,000, 100 mM Tris pH 8.3
Resolution 2.10 Å R-free 0.246
5TLV Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-(thiophene-2,3-diyl)bis(3-fluorophenol) Deposited 2016-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Not recorded 7ES 4,4'-(thiene-2,3-diyl)bis(3-fluorophenol) × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.32 Å R-free 0.236
5TLX Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 3,4-bis(4-hydroxyphenyl)thiophene 1,1-dioxide Deposited 2016-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Not recorded 7EH 3-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-amine × 2 7G5 3,4-bis(4-hydroxyphenyl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.10 Å R-free 0.226
5TLY Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 3,4-bis(2-fluoro-4-hydroxyphenyl)thiophene 1,1-dioxide Deposited 2016-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Not recorded 7ER 3,4-bis(2-fluoro-4-hydroxyphenyl)-1H-1lambda~6~-thiophene-1,1-dione × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.14 Å R-free 0.221
5TM1 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,5-bis(2-fluoro-4-hydroxyphenyl)thiophene 1-oxide Deposited 2016-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Not recorded 7EQ 2,5-bis(2-fluoro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.23 Å R-free 0.236
5TM2 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,5-bis(2-chloro-4-hydroxyphenyl)thiophene 1-oxide Deposited 2016-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Not recorded 7EO 2,5-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.60 Å R-free 0.244
5TM3 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,3-bis(2-chloro-4-hydroxyphenyl)thiophene 1-oxide Deposited 2016-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Not recorded 7EN (1S)-2,3-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.19 Å R-free 0.234
5TM4 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC Analog, 5-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)pentanoic acid Deposited 2016-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Not recorded 7E3 5-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.25 Å R-free 0.236
5TM5 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 5-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)pentanoic acid Deposited 2016-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Not recorded 7EV 5-{4-[(1S,4S,5R)-5-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.24 Å R-free 0.232
5TM6 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 6-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)hexanoic acid Deposited 2016-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded 7J9 6-{4-[(1S,4S,6R)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}hexanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.54 Å R-free 0.245
5TM7 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 7-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)heptanoic acid Deposited 2016-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Not recorded 7JY 7-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.40 Å R-free 0.231
5TM8 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 7-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)heptanoic acid Deposited 2016-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Not recorded 7K6 7-{4-[(1S,4S,6R)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 1.99 Å R-free 0.222
5TM9 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC Analog, (E)-3-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)acrylic acid Deposited 2016-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Not recorded 7KL 3-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}prop-2-enoic acid × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.50 Å R-free 0.237
5TML Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, (E)-6-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid Deposited 2016-10-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Not recorded 7E1 6-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.25 Å R-free 0.233
5TMM Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC analog, (E)-6-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid Deposited 2016-10-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Not recorded 7M4 6-{4-[(1S,4S,6S)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.20 Å R-free 0.251
5TMO Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Arene Core OBHS derivative, phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate Deposited 2016-10-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Not recorded 7M1 phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.17 Å R-free 0.233
5TMQ Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Arene Core OBHS derivative, 4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate Deposited 2016-10-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide, UNP residues 686-698
Not recorded 7M7 4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.24 Å R-free 0.242
5TMR Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Cyclofenil-ASC derivative, ethyl (E)-3-(4-(cyclohexylidene(4-hydroxyphenyl)methyl)phenyl)acrylate Deposited 2016-10-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Not recorded 7FD ethyl 3-{4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenyl}prop-2-enoate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.30 Å R-free 0.238
5TMS Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Cyclofenil-ASC derivative, ethyl (E)-3-(4-(bicyclo[3.3.1]nonan-9-ylidene(4-hydroxyphenyl)methyl)phenyl)acrylate Deposited 2016-10-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Not recorded 7FG ethyl 3-(4-{[(1s,5s)-bicyclo[3.3.1]nonan-9-ylidene](4-hydroxyphenyl)methyl}phenyl)prop-2-enoate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.24 Å R-free 0.241
5TMT Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-((1,3-dihydro-2H-inden-2-ylidene)methylene)diphenol Deposited 2016-10-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Not recorded 7FJ 4,4'-[(1,3-dihydro-2H-inden-2-ylidene)methylene]diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.05 Å R-free 0.247
5TMU Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-(cycloheptylidenemethylene)diphenol Deposited 2016-10-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Not recorded 7FL 4,4'-(cycloheptylidenemethylene)diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.43 Å R-free 0.237
5TMV Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS analog, 4-iodophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate Deposited 2016-10-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Not recorded 7FO 4-iodophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.38 Å R-free 0.252
5TMW Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS derivative, 4-acetamidophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate Deposited 2016-10-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Not recorded 7FP 4-(acetylamino)phenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.29 Å R-free 0.245
5TMZ Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S,17S)-16-(3-methoxybenzyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Deposited 2016-10-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Not recorded 7FQ (9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.21 Å R-free 0.242
5TN1 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S,E)-17-((4-isopropylphenyl)imino)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol Deposited 2016-10-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Not recorded 7FR (9beta,13alpha,17Z)-17-{[4-(propan-2-yl)phenyl]imino}estra-1,3,5(10)-trien-3-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.06 Å R-free 0.215
5TN3 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S)-17-((4-isopropylphenyl)amino)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol Deposited 2016-10-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Not recorded 7FS (9beta,13alpha,17beta)-17-{[4-(propan-2-yl)phenyl]amino}estra-1(10),2,4-trien-3-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.54 Å R-free 0.256
5TN4 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the ACD-ring estrogen, (S)-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol Deposited 2016-10-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Not recorded 7FZ (1S)-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 1.86 Å R-free 0.218
5TN5 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the AC-ring estrogen, (1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol Deposited 2016-10-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Not recorded 7G0 (1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 1.89 Å R-free 0.233
5TN6 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Spiro BC-estradiol, (1S,1'S,3a'S,7a'S)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol Deposited 2016-10-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Not recorded 7G1 (1S,1'S,3a'S,7a'S)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.09 Å R-free 0.225
5TN7 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-3'-fluoro-4'-hydroxy-3-((hydroxyiminio)methyl)-[1,1'-biphenyl]-4-olate Deposited 2016-10-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Not recorded 7G2 3-fluoro-3'-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.24 Å R-free 0.235
5TN8 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-4'-hydroxy-3-((hydroxyiminio)methyl)-[1,1'-biphenyl]-4-olate Deposited 2016-10-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide (UNP residues 686-698)
Not recorded 7G3 3-[(Z)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.65 Å R-free 0.259
5U2D Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Oxabicyclic Heptene Sulfonate (OBHS) Deposited 2016-11-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide
Chain D 686–698（13 aa） Fragment：Nuclear receptor-interacting peptide
Not recorded OBH cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；294 K；15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 1.86 Å R-free 0.215
5WZX Structural basis for a pentacyclic oleanane-type triterpenoid as a ligand of FXR Deposited 2017-01-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 741–752（12 aa）
Not recorded 7VX (4aR,6aR,6aS,6bS,8aS,9R,12aR,14bR)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanylidene-1,3,4,5,6,6a,7,8,8a,9,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid × 1 BU3 (R,R)-2,3-BUTANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；0.1 M HEPES, 10% w/v Polyethylene glycol 6000, 5% v/v (+/-)-2-Methyl-2,4-pentanediol
Resolution 2.95 Å R-free 0.263
5WZX Structural basis for a pentacyclic oleanane-type triterpenoid as a ligand of FXR Deposited 2017-01-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 741–752（12 aa）
Not recorded 7VX (4aR,6aR,6aS,6bS,8aS,9R,12aR,14bR)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanylidene-1,3,4,5,6,6a,7,8,8a,9,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；0.1 M HEPES, 10% w/v Polyethylene glycol 6000, 5% v/v (+/-)-2-Methyl-2,4-pentanediol
Resolution 2.95 Å R-free 0.263
5XPL Crystal structure of VDR-LBD complexed with 22S-butyl-25-hydroxyphenyl-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3 Deposited 2017-06-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 740–752（13 aa） Fragment：UNP residues 740-752
Not recorded 8C9 (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl )cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；MOPS-Na, Na-Formate, PEG 4000, Ethylenglycol
Resolution 2.05 Å R-free 0.242
5Y1J Crystal structure of human FXR in complex with a functional drug ligand Deposited 2017-07-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain U 742–751（10 aa）
Not recorded D5H 2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；0.1M MgSO4, 25% w/v polyethylene glycol 8000
Resolution 2.00 Å R-free 0.238
5Y49 A moderator XD22 binding to bile acid receptor Deposited 2017-08-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 741–751（11 aa）
Not recorded XD5 [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；0.1M Magnesium sulfate, 12% w/v polyethylene glycol 8000
Resolution 2.40 Å R-free 0.253
5Y49 A moderator XD22 binding to bile acid receptor Deposited 2017-08-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 741–751（11 aa）
Not recorded XD5 [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；0.1M Magnesium sulfate, 12% w/v polyethylene glycol 8000
Resolution 2.40 Å R-free 0.253
6EL6 Glucocorticoid Receptor in complex with compound 4 Deposited 2017-09-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 740–753（14 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 B9Q ~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxypyridin-3-yl)propan-2-yl]cyclopropanecarboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；8-10% PEG8000, 10-19% Ethylene Glycol, 0.1 M HEPES pH 7.5
Resolution 2.40 Å R-free 0.283
6EL7 Glucocorticoid Receptor in complex with compound 31 Deposited 2017-09-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 740–753（14 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 B9T ~{N}-[(1~{R},2~{S})-1-(2-bromanyl-4-cyano-phenoxy)-1-(2-cyclopropylpyrimidin-5-yl)propan-2-yl]-2,2-bis(fluoranyl)propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；8-10% PEG8000, 10-19% Ethylene Glycol, 0.1 M HEPES pH 7.5
Resolution 2.18 Å R-free 0.225
6EL9 Glucocorticoid Receptor in complex with AZD9567 Deposited 2017-09-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 740–753（14 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 B9W 2,2-bis(fluoranyl)-~{N}-[(1~{R},2~{S})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-pyridin-3-yl)indazol-5-yl]oxy-1-phenyl-butan-2-yl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；8-10% PEG8000, 10-19% Ethylene Glycol, 0.1 M HEPES pH 7.5
Resolution 2.19 Å R-free 0.224
6KNU THRb mutation with a novel agonist Deposited 2019-08-07 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 741–751（11 aa）
Not recorded 8HO 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1M Sodium acetate trihydrate pH 4.6, 2.0M Sodium formate
Resolution 2.70 Å R-free 0.231
6KNV THRb mutation with a novel agonist Deposited 2019-08-07 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 741–751（11 aa）
Not recorded 8HO 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2% v/v Tacsimate pH 5.0, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 16% w/v Polyethylene glycol 3,350
Resolution 2.80 Å R-free 0.265
6LB4 Crystal structure of dimeric RXR-LBD complexed with NEt-3ME and TIF2 co-activator Deposited 2019-11-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded E8L 6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid × 2 EDO 1,2-ETHANEDIOL × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Sodium Acetate 18 % PEG3350 0.1 M Spermine tetrahydrochroride
Resolution 1.50 Å R-free 0.201
6LB5 Crystal structure of dimeric RXR-LBD complexed with full agonist NEt-3IB and TIF2 co-activator Deposited 2019-11-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Chain D 686–698（13 aa）
Not recorded E80 6-[ethyl-[3-(2-methylpropoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M Imidazole 20 % PEG 6000
Resolution 2.40 Å R-free 0.240
6LB6 Crystal structure of dimeric RXR-LBD complexed with partial agonist NEt-4IB and TIF2 co-activator Deposited 2019-11-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded E8O 6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M Imidazole 20 % PEG6000
Resolution 2.40 Å R-free 0.257
6LIT Estrogen-related receptor beta(ERR2) in complex with BPA Deposited 2019-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 686–696（11 aa）
Chain E 686–696（11 aa）
Not recorded 2OH 4,4'-PROPANE-2,2-DIYLDIPHENOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；300mM NH4Cl, 10% PEG 4000
Resolution 2.00 Å R-free 0.238
6OQX Human Liver Receptor Homolog-1 bound to the agonist 5N and a fragment of the Tif2 coregulator Deposited 2019-04-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 740–754（15 aa） Fragment：UNP Residues 740-754
Not recorded N1V (8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；Sodium acetate (pH 4.6), PEG4000, glycerol
Resolution 2.00 Å R-free 0.245
6OQY Human LRH-1 bound to the agonist 6N and a fragment of the Tif2 coregulator Deposited 2019-04-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 740–754（15 aa）
Mutation：UNP Residues 740-754 N2J N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；Sodium acetate (pH 4.6), PEG4000, glycerol
Resolution 2.23 Å R-free 0.269
6OR1 Human LRH-1 bound to the agonist 2N and a fragment of the Tif2 coregulator Deposited 2019-04-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 740–754（15 aa） Fragment：UNP Residues 740-754
Not recorded N27 N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.05M sodium acetate (pH 4.6), 5-11% PEG4000, 0-10% glycerol. Microseeding with LRH-1-RJW100 crystals.
Resolution 2.17 Å R-free 0.239
6SJM Crystal structure of the Retinoic Acid Receptor alpha in complex with compound 24 (JP175) Deposited 2019-08-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–699（14 aa）
Not recorded LFZ 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；21% PEG 4000, 0.2 M ammonium acetate and 0.1 M tris, pH 7.5
Resolution 2.52 Å R-free 0.247
6STI Crystal structure of RXRalpha LBD in complex with LG 100754 and a coactivator peptide Deposited 2019-09-10 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded 754 (2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid × 2 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；17.5% PEG3350, 0.7 M CH3COONH4, 30 mM CH3COONa pH4.6
Resolution 1.89 Å R-free 0.172
6VC2 LRH-1 bound to SS-RJW100 and a fragment of the Tif2 Coactivator Deposited 2019-12-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 740–754（15 aa）
Not recorded QU7 (1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；Sodium acetate, PEG 4000, glycerol
Resolution 1.70 Å R-free 0.228
6VIF Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2 Deposited 2020-01-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 740–753（14 aa）
Not recorded QY4 N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291.15 K；Na acetate (pH 4.6), PEG 4000, glycerol
Resolution 2.26 Å R-free 0.284
7A77 Crystal structure of RXR alpha LBD in complexes with palmitic acid and GRIP-1 peptide Deposited 2020-08-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–699（14 aa）
Not recorded EDO 1,2-ETHANEDIOL × 8 PLM PALMITIC ACID × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293.15 K；17% PEG 3350, 0.2M ammonium actetate, 0.1M tris, pH 8.0
Resolution 1.50 Å R-free 0.180
7A78 Crystal structure of RXR beta LBD in complexes with palmitic acid and GRIP-1 peptide Deposited 2020-08-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–699（14 aa）
Not recorded PLM PALMITIC ACID × 2 CL CHLORIDE ION × 2 EDO 1,2-ETHANEDIOL × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；16% low molecular weight PEG smears, 0.1M HEPES, pH 7.5, 5% ethylene glycol, 0.1M KCl
Resolution 1.72 Å R-free 0.204
7A79 Crystal structure of RXR gamma LBD in complexes with palmitic acid and GRIP-1 peptide Deposited 2020-08-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa）
Chain D 686–699（14 aa）
Not recorded PLM PALMITIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；17% PEG 3350, 0.1M potassium citrate
Resolution 2.05 Å R-free 0.248
7B88 Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S99 inhibitor Deposited 2020-12-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–699（14 aa）
Not recorded T2K 3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；21% PEG 3350, 0.1 M Ammomium Acetate, 0.1 M tris 7.5
Resolution 2.38 Å R-free 0.259
7B9O Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S169 inhibitor Deposited 2020-12-14 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa）
Not recorded T72 3-(5-(3,5-bis(trifluoromethyl)phenyl)-4-phenyloxazol-2-yl)propanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；24% PEG 4000 0.2M Ammonium acetate 0.1M Tris pH7.5
Resolution 2.05 Å R-free 0.236
7D42 Structural basis of tropifexor as a potent and selective agonist for farnesoid X receptor Deposited 2020-09-22 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 740–753（14 aa）
Not recorded GWF Tropifexor × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；100mM Sodium acetate pH 4.7, 2.3-2.6M Sodium formate
Resolution 2.70 Å R-free 0.269
7JHD Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with TTC-352 and GRIP Peptide Deposited 2020-07-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa）
Chain D 686–698（13 aa）
Not recorded V9J 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298.15 K；PEG 3350, MgCl2, Tris HCl
Resolution 2.40 Å R-free 0.265
7JYD Human Liver Receptor Homolog-1 in Complex with 10CA and a Fragment of Tif2 Deposited 2020-08-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 740–751（12 aa） Fragment：residues 740-751
Not recorded VQA 10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.4 M sodium/potassium tartrate
Resolution 2.30 Å R-free 0.227
7JYE Human Liver Receptor Homolog-1 in Complex with 9ChoP and a Fragment of Tif2 Deposited 2020-08-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 740–751（12 aa） Fragment：residues 740-751
Not recorded VQY 9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；277 K；9-19% tert-butanol, 0-6 % glycerol, 0.1 M tri-sodium citrate pH 4.6
Resolution 2.55 Å R-free 0.187
7NEL ER-PRS*(+) (Y537S) in complex with estradiol and SRC-2 coactivator peptide Deposited 2021-02-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa）
Chain D 686–699（14 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) EST ESTRADIOL × 2 EDO 1,2-ETHANEDIOL × 14 GOL GLYCEROL × 5 NA SODIUM ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；292 K；200 mM NaCl, 100 mM Tris pH 8.5 and 25% polyethylene glycol 3,350
Resolution 1.45 Å R-free 0.186
7NFB ER-PRS*(+) (Y537S) in complex with genistein and SRC-2 coactivator peptide Deposited 2021-02-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–699（14 aa）
Chain D 686–699（14 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) GEN GENISTEIN × 2 NA SODIUM ION × 3 EDO 1,2-ETHANEDIOL × 16 CL CHLORIDE ION × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；292 K；200 mM NaCl, 100 mM Tris pH 8.5 and 25% polyethylene glycol 3,350
Resolution 1.33 Å R-free 0.178
7NKE Crystal structure of human RXRalpha ligand binding domain in complex with 2,4-di-tert-butylphenol and a coactivator fragment Deposited 2021-02-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Chain D 686–698（13 aa）
Not recorded UGW 2,4-di~{tert}-butylphenol × 2 FMT FORMIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；20% PEG 3350 0.2 M sodium formate
Resolution 2.35 Å R-free 0.246
7OFI Ligand complex of RORg LBD Deposited 2021-05-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 684–698（15 aa）
Not recorded VCK (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide × 1 NA SODIUM ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；soaking
Resolution 1.95 Å R-free 0.227
7OFK Ligand complex of RORg LBD Deposited 2021-05-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 684–698（15 aa）
Not recorded VCH (1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide × 1 DMS DIMETHYL SULFOXIDE × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；soaking
Resolution 1.61 Å R-free 0.230
7PDQ Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with LG100268 and a coactivator fragment Deposited 2021-08-06 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded LG2 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；26% PEG3350, 0.2M NaF
Resolution 1.58 Å R-free 0.195
7PDT Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with BMS649 and a coactivator fragment Deposited 2021-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain U 686–698（13 aa）
Chain V 686–698（13 aa）
Not recorded BM6 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；18% PEG3350, 0.2M Na Nitrate, 0.1M BisTris propane pH6.5
Resolution 3.30 Å R-free 0.207
7T2X Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 2-chloro-4-((4-hydroxybenzyl)amino)-5-phenylthieno[2,3-d]pyrimidin-6-ol and GRIP Peptide Deposited 2021-12-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 686–698（13 aa）
Not recorded EMY S-(2-chloro-6-{[(4-hydroxyphenyl)methyl]amino}pyrimidin-4-yl) phenylethanethioate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, MgCl2, HEPES pH 8
Resolution 2.60 Å R-free 0.277
7T2X Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 2-chloro-4-((4-hydroxybenzyl)amino)-5-phenylthieno[2,3-d]pyrimidin-6-ol and GRIP Peptide Deposited 2021-12-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 686–698（13 aa）
Not recorded EMY S-(2-chloro-6-{[(4-hydroxyphenyl)methyl]amino}pyrimidin-4-yl) phenylethanethioate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, MgCl2, HEPES pH 8
Resolution 2.60 Å R-free 0.277
7TT8 Human LRH-1 LBD bound to agonist 6N-10CA and fragment of Tif2 coactivator Deposited 2022-01-31 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 740–753（14 aa）
Not recorded IUW 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；tri-Na citrate (4.6), tert-butanol, glycerol
Resolution 2.80 Å R-free 0.276
7UW2 Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB116 and coactivator peptide GRIP-1 Deposited 2022-05-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 686–698（13 aa）
Not recorded OI2 (2E,4E,6Z,8E)-8-{3-[(2S)-butan-2-yl]-2-(3-methylbutyl)cyclohex-2-en-1-ylidene}-3,7-dimethylocta-2,4,6-trienoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；100 mM Bis-Tris, pH 7.0, 8% PEG4000, 25% ethylene glycol. The drop contained 2 ul protein + 1 ul well solution
Resolution 1.88 Å R-free 0.218
7UW4 Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB113 and coactivator peptide GRIP-1 Deposited 2022-05-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 686–698（13 aa）
Not recorded OI5 (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-propylcyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；100 mM Bis-Tris, pH 7.0, 7% PEG4000, 5% ethylene glycol
Resolution 2.10 Å R-free 0.243
7VUE Structural insight of the molecular mechanism of cilofexor bound to FXR Deposited 2021-11-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 740–753（14 aa）
Not recorded 811 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；100mM sodium acetate pH 4.7, and 2.4-2.6M sodium formate
Resolution 2.60 Å R-free 0.269
7W3P Crystal structure of RORgamma in complex with natural inverse agonist Deposited 2021-11-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 686–698（13 aa）
Not recorded 88K (3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；0.1M BIS-TRIS pH 5.5, 3.0M Sodium chloride
Resolution 1.77 Å R-free 0.234
7W3Q Crystal structure of RORgamma in complex with natural inverse agonist Deposited 2021-11-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 686–698（13 aa）
Not recorded 97I (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；0.2M Magnesium chloride hexahydrate, 0.1M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3350
Resolution 2.00 Å R-free 0.265
7WLX A novel chemical derivative(53) of THRB agonist Deposited 2022-01-14 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 741–751（11 aa）
Not recorded 9GC 2-[[1-methoxy-4-oxidanyl-7-[4-(phenylmethyl)phenoxy]isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2% v/v tacsimate pH 5.0, 0.1 M sodium citrate tribasic dihydrate pH 5.6 and 16% w/v polyethylene glycol 3,350.
Resolution 2.39 Å R-free 0.270
7WMG A novel chemical derivative(52) of THRB agonist Deposited 2022-01-14 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 741–751（11 aa）
Not recorded 9IF 2-[[1-methoxy-4-oxidanyl-7-(4-phenoxyphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M sodium formate pH 7.0 and 20% w/v polyethylene glycol 3,350.
Resolution 2.93 Å R-free 0.298
7WMH A novel chemical derivative(56) of THRB agonist Deposited 2022-01-14 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 741–751（11 aa）
Not recorded 9II 2-[[1-methoxy-4-oxidanyl-7-(4-phenylphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M MgSO4 and 5% PEG 8000
Resolution 1.97 Å R-free 0.253
7WMJ A novel chemical derivative(71) of THRB agonist Deposited 2022-01-14 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 741–751（11 aa）
Not recorded 9IL 2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% v/v ethylene glycol.
Resolution 2.81 Å R-free 0.274
7WML A novel chemical derivative(85) of THRB agonist Deposited 2022-01-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 741–751（11 aa）
Not recorded 9IQ 2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M MgSO4 and 12% PEG 6000.
Resolution 2.67 Å R-free 0.245
7WMN A novel chemical derivative(89) of THRB agonist Deposited 2022-01-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 741–751（11 aa）
Not recorded 9IT 2-[[7-[2,6-dimethyl-4-(3-methylphenyl)carbonyl-phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M MgSO4 and 12% PEG 6000.
Resolution 2.57 Å R-free 0.261
7WMO A novel chemical derivative(92) of THRB agonist Deposited 2022-01-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 741–751（11 aa）
Not recorded 9IW 2-[[1-ethoxy-7-[4-(3-fluoranyl-5-methoxy-phenyl)carbonyl-2,6-dimethyl-phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M sodium malonate pH 6.0 and 20% w/v Polyethylene glycol 3,350
Resolution 2.56 Å R-free 0.241
8C1L Crystal structure of HNF4 alpha LBD in complexes with palmitic acid and GRIP-1 peptide Deposited 2022-12-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 687–695（9 aa）
Chain E 687–695（9 aa）
Not recorded PLM PALMITIC ACID × 2 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；284 K；20% PEG3350 -- 10% ethylene glycol -- 0.1M bis-tris-propane pH 8.5 -- 0.2M sodium nitrate
Resolution 2.00 Å R-free 0.237
8DAF Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid Deposited 2022-06-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 740–753（14 aa）
Not recorded IUW 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name) × 1 PEF DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277.15 K；Na acetate (pH 4.6), glycerol, PEG 4000
Resolution 2.59 Å R-free 0.281
8DAF Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid Deposited 2022-06-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 740–753（14 aa）
Not recorded IUW 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name) × 1 PEF DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277.15 K；Na acetate (pH 4.6), glycerol, PEG 4000
Resolution 2.59 Å R-free 0.281
8EV1 Dual Modulators Deposited 2022-10-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 686–698（13 aa）
Not recorded WVW (3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide × 1 WVR (3aR,4S,9bS)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 200 mM NaCl, 0.1 M Hepes pH 7
Resolution 1.83 Å R-free 0.224
8EV1 Dual Modulators Deposited 2022-10-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 686–698（13 aa）
Not recorded WVW (3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 200 mM NaCl, 0.1 M Hepes pH 7
Resolution 1.83 Å R-free 0.224
8EV2 Dual Modulators Deposited 2022-10-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 686–698（13 aa）
Not recorded LYQ (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide × 2 WVE (3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 200 mM NaCl, 0.1 M Hepes pH 7
Resolution 2.01 Å R-free 0.248
8EV2 Dual Modulators Deposited 2022-10-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 686–698（13 aa）
Not recorded LYQ (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide × 2 WVE (3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 200 mM NaCl, 0.1 M Hepes pH 7
Resolution 2.01 Å R-free 0.248
8F8M LRH-1 bound to small molecule Tet and fragment of coactivator Tif2 Deposited 2022-11-22 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 740–753（14 aa）
Not recorded XKE (1~{R},3~{a}~{R},6~{a}~{R})-4-phenyl-3~{a}-(1-phenylethenyl)-5-[9-(1~{H}-1,2,3,4-tetrazol-5-yl)nonyl]-2,3,6,6~{a}-tetrahydro-1~{H}-pentalen-1-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；tri-Na citrate, tert-butanol, glycerol
Resolution 2.60 Å R-free 0.220
8GL7 AncAR1 - progesterone - Tif2 Deposited 2023-03-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 743–751（9 aa）
Not recorded STR PROGESTERONE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；20% PEG 4000, 0.1M Tris pH 8.9, 4% glycerol
Resolution 2.40 Å R-free 0.253
8P9X Vitamin D receptor complex with Xe4Me agonist ligand Deposited 2023-06-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 686–698（13 aa）
Not recorded ACT ACETATE ION × 1 FO6 (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-(5-methyl-5-oxidanyl-hexa-1,3-diynyl)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M BTP pH 7.0, 3 M NaOAc
Resolution 2.15 Å R-free 0.241
8PP0 Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with JP147 Deposited 2023-07-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 686–699（14 aa）
Not recorded 7QJ 3-[4-[2,3-dihydro-1H-inden-4-yl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]oxypropanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；23% PEG 3350, 0.1 M Ammonium actetate, 0.1 M tris pH 7.5
Resolution 1.90 Å R-free 0.223
8PWD Crystal structure of VDR in complex Des-C-Ring and Aromatic-D-Ring analog 3c Deposited 2023-07-20 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded FT9 (1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)hept-3-ynyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；NH4SO4 1.5M, BisTris 0.1M pH 7
Resolution 2.80 Å R-free 0.274
8PWE Crystal structure of VDR complex with Novel Des-C-Ring and Aromatic-D-Ring analog 3a Deposited 2023-07-20 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded ACT ACETATE ION × 2 FUW (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-hept-3-ynyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；NaAcetate 2.5M, BisTris 0.1M pH 7
Resolution 2.00 Å R-free 0.233
8PWF crystal structure of VDR in complex with Des-C-Ring and Aromatic-D-Ring analog 2 Deposited 2023-07-20 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded FVB (1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)heptyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；LiSO4 1.6M, Hepes 0.1M pH 7.5
Resolution 2.30 Å R-free 0.265
8PWM Crystal structure of VDR in complex with Des-C-Ring and Aromatic-D-Ring analog 3b Deposited 2023-07-20 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded ACT ACETATE ION × 2 HXI (1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)hept-3-ynyl]phenyl]but-2-enylidene]cyclohexane-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；NaAcetate 2.5M, BisTris 0.1M pH 7
Resolution 2.30 Å R-free 0.252
8PZ6 crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 analog 56 Deposited 2023-07-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded IG5 (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-(3-oxidanylpropylidene)cyclohexane-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；NaAcetate 3M, Hepes 0.1M pH 7.5
Resolution 2.90 Å R-free 0.292
8PZ7 crystal structure of VDR complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 57 Deposited 2023-07-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded IG0 (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methyl-cyclohexane-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；NH4Acetate 3.5M, BisTrisPropane 0.1M pH 7
Resolution 2.93 Å R-free 0.257
8PZ8 crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 54 Deposited 2023-07-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded IFU (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]cyclohexane-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；(NH4)2SO4 1.5M
Resolution 2.64 Å R-free 0.261
8PZ9 Crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 55 Deposited 2023-07-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded IFK (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；NaAcetate 3M, Hepes 0.1M pH 7.5
Resolution 2.74 Å R-free 0.278
8PZB crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 49 Deposited 2023-07-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded I72 (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；(NH4)2SO4 1.6M, Mes 0.1M pH 6
Resolution 2.73 Å R-free 0.275
8VKZ Crystal structure of Glucocorticoid Receptor in complex with an inhibitor Deposited 2024-01-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 740–753（14 aa）
Chain E 740–753（14 aa）
Not recorded A1ACE (4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；296 K；24% (w/v) PEG 400, 200 mM ammonium acetate, 100 mM sodium citrate pH 5.5
Resolution 2.13 Å R-free 0.245
9D8Q Crystal structure of Estrogen Receptor alpha from Melanotaenia fluviatilis bound to estradiol and human SRC2 peptide Deposited 2024-08-20 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded EST ESTRADIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；290 K；9-10% Tacsimate pH 7.0, 22% PEG3000
Resolution 2.75 Å R-free 0.261
9EBG Crystal structure of the hERalpha LBD complexed with androstenediol and SRC 2-2 peptide Deposited 2024-11-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Chain D 686–698（13 aa）
Not recorded B81 (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289.15 K；.1 M PIPES pH 7, 7% w/v PEG 8000
Resolution 2.02 Å R-free 0.248
9EBL Crystal structure of the hERbeta LBD complexed with androstenediol and SRC 2-2 peptide (crystal form 1) Deposited 2024-11-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: octameric
Chain C 686–698（13 aa）
Chain D 686–698（13 aa）
Chain G 686–698（13 aa）
Chain H 686–698（13 aa）
Not recorded B81 (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289.15 K；0.1 M sodium HEPES pH 7.5, 22% w/v PEG 5000 MME
Resolution 2.20 Å R-free 0.277
9ECF Crystal structure of the hERbeta LBD complexed with androstenediol and SRC 2-2 peptide (crystal form 2) Deposited 2024-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain G 686–698（13 aa）
Chain H 686–698（13 aa）
Not recorded B81 (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289.15 K；0.2 M ammonium acetate, 0.1 M Bis-Tris pH 5.5, 25% w/v PEG 3350
Resolution 2.00 Å R-free 0.278
9ECF Crystal structure of the hERbeta LBD complexed with androstenediol and SRC 2-2 peptide (crystal form 2) Deposited 2024-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 686–698（13 aa）
Chain D 686–698（13 aa）
Not recorded B81 (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289.15 K；0.2 M ammonium acetate, 0.1 M Bis-Tris pH 5.5, 25% w/v PEG 3350
Resolution 2.00 Å R-free 0.278
9ECF Crystal structure of the hERbeta LBD complexed with androstenediol and SRC 2-2 peptide (crystal form 2) Deposited 2024-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain K 686–698（13 aa）
Chain L 686–698（13 aa）
Not recorded B81 (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289.15 K；0.2 M ammonium acetate, 0.1 M Bis-Tris pH 5.5, 25% w/v PEG 3350
Resolution 2.00 Å R-free 0.278
9ECF Crystal structure of the hERbeta LBD complexed with androstenediol and SRC 2-2 peptide (crystal form 2) Deposited 2024-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain O 686–698（13 aa）
Chain P 686–698（13 aa）
Not recorded B81 (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289.15 K；0.2 M ammonium acetate, 0.1 M Bis-Tris pH 5.5, 25% w/v PEG 3350
Resolution 2.00 Å R-free 0.278
9EZ1 Vitamin D receptor in complex with 1,4a,25-trihydroxyvitamin D3 Deposited 2024-04-10 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded A1H9P 1,4a,25-trihydroxyvitamin D3 × 2 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M MES pH 6.0,2.5 M NaOAc
Resolution 1.95 Å R-free 0.258
9EZ2 Vitamin D receptor complex with 1,4b,25-trihydroxyvitamin D3 Deposited 2024-04-10 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded A1H72 1,4b,25-trihydroxyvitamin D3 × 2 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M MES pH 6.0,2.5 M NaOAc
Resolution 1.80 Å R-free 0.230
9FW8 VDR complex with UG-650 Deposited 2024-06-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded A1IGV (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{S})-7-methyl-4-methylidene-7-oxidanyl-octan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；290 K；(NH4)2SO4 1.5 M, BisTris 0.1 M pH 7
Resolution 2.42 Å R-free 0.261
9GY8 Vitamin D Receptor complex with Sila-A Deposited 2024-10-01 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded A1IQM (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-5-trimethylsilylpentan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；(NH4)2SO4 1.5M, Tris 0.1M pH 8
Resolution 2.20 Å R-free 0.262
9GYA Vitamin D Receptor in complex with Sila-e Deposited 2024-10-01 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded ACT ACETATE ION × 2 A1IQQ (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R})-5-dimethylsilylpent-4-yn-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；NaAcetate 2.5M, Hepes 0.1M pH 7.5
Resolution 1.85 Å R-free 0.232
9GYC Vitamin D receptor in complex with Sila-d Deposited 2024-10-01 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 686–698（13 aa）
Not recorded ACT ACETATE ION × 1 A1IQP (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R})-5-[~{tert}-butyl(dimethyl)silyl]pent-4-yn-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；NaAcetate 2.5M, Hepes 0.1M pH 7.5
Resolution 2.20 Å R-free 0.246
9GYJ Vitamin D receptor in complex with Sila-c Deposited 2024-10-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded ACT ACETATE ION × 2 A1IQN (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-5-trimethylsilylpent-4-yn-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；NaAcetate 2.5M
Resolution 1.90 Å R-free 0.239
9GYK Vitamin D receptor in complex with Sila-f Deposited 2024-10-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 686–698（13 aa）
Not recorded ACT ACETATE ION × 2 A1IQO (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-(4-trimethylsilylbuta-1,3-diynyl)-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；NaAcetate 2.5M, Hepes 0.1M pH 7.5
Resolution 2.20 Å R-free 0.255
9H65 Steroidal Selective Modulators of FXR with Therapeutic Potential Deposited 2024-10-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 740–752（13 aa）
Chain D 740–752（13 aa）
Not recorded RJC 1-[(3R)-3-[(3R,4R,5S,6R,7R,8S,9S,10R,13R,14S,17R)-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3-(phenylsulfonyl)urea × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；295 K；0.1M HEPES, 0.1M magnesium chloride hexahydrate, 20% PEG 6000, 10% ethylene glycol
Resolution 3.10 Å R-free 0.323
9H66 Steroidal Selective Modulators of FXR with Therapeutic Potential Deposited 2024-10-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 740–752（13 aa）
Chain F 740–752（13 aa）
Chain G 740–752（13 aa）
Not recorded R3U (4~{R})-4-[(3~{R},4~{R},5~{S},6~{R},7~{R},8~{S},9~{S},10~{R},13~{R},14~{R},17~{R})-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-~{N}-[4-(trifluoromethyloxy)phenyl]sulfonyl-pentanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；295 K；0.1M sodium phosphate dibasic, 0.2M lithium sulphate pH4.2, 20% PEG2000 MME
Resolution 2.60 Å R-free 0.312
9H66 Steroidal Selective Modulators of FXR with Therapeutic Potential Deposited 2024-10-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain H 740–752（13 aa）
Chain I 740–752（13 aa）
Chain J 740–752（13 aa）
Not recorded R3U (4~{R})-4-[(3~{R},4~{R},5~{S},6~{R},7~{R},8~{S},9~{S},10~{R},13~{R},14~{R},17~{R})-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-~{N}-[4-(trifluoromethyloxy)phenyl]sulfonyl-pentanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；295 K；0.1M sodium phosphate dibasic, 0.2M lithium sulphate pH4.2, 20% PEG2000 MME
Resolution 2.60 Å R-free 0.312
9H66 Steroidal Selective Modulators of FXR with Therapeutic Potential Deposited 2024-10-23 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain J 740–752（13 aa）
Not recorded R3U (4~{R})-4-[(3~{R},4~{R},5~{S},6~{R},7~{R},8~{S},9~{S},10~{R},13~{R},14~{R},17~{R})-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-~{N}-[4-(trifluoromethyloxy)phenyl]sulfonyl-pentanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；295 K；0.1M sodium phosphate dibasic, 0.2M lithium sulphate pH4.2, 20% PEG2000 MME
Resolution 2.60 Å R-free 0.312
9IX5 An agonist(compound 15n) of Thyroid Hormone Receptor B Deposited 2024-07-26 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 741–752（12 aa）
Not recorded A1EAC 2-[(1-methoxy-7-naphthalen-2-yloxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.35 M Sodium citrate tribasic dihydrate, 22%(w/v) Polyethylene glycol 3,350
Resolution 2.65 Å R-free 0.277
9J0K An agonist(compound 14e)of Thyroid Hormone Receptor B Deposited 2024-08-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 741–752（12 aa）
Not recorded A1EAE 2-[[7-[3-(aminomethyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M ammonium sulfate, 0.1 M MES monohydrate pH 6.7 and 13% v/v 1,4-Dioxane
Resolution 2.70 Å R-free 0.275
9J0K An agonist(compound 14e)of Thyroid Hormone Receptor B Deposited 2024-08-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 741–752（12 aa）
Not recorded A1EAE 2-[[7-[3-(aminomethyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M ammonium sulfate, 0.1 M MES monohydrate pH 6.7 and 13% v/v 1,4-Dioxane
Resolution 2.70 Å R-free 0.275
9LQ3 Crystal structure of Linafexor-FXR complex Deposited 2025-01-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 687–697（11 aa）
Not recorded A1ELK Linafexor × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291 K；0.2 M Sodium malonate pH 7.0, 20% Polyethylene glycol 3,350
Resolution 2.80 Å R-free 0.293
9QX6 Crystal structure of RXR alpha LBD bound to a synthetic agonist FN537 and a coactivator fragment Deposited 2025-04-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 687–696（10 aa）
Not recorded A1JAT (6R,6aR,7S,10R,10aS)-6-(3,5-bis(trifluoromethyl)phenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-3-carboxylic acid × 1 A1JHO 6S,6aS,7R,10S,10aR)-6-(3,5-bis(trifluoromethyl)phenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-3-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；20% PEG3350, 0.2M calcium acetate
Resolution 1.46 Å R-free 0.213
9RAP VDR complex with UG-635 Deposited 2025-05-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 686–698（13 aa）
Not recorded ACT ACETATE ION × 1 A1JD0 (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{S})-6-[bis(oxidanyl)amino]-6-methyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；290 K；3M Na Acetate 0.1M Tris HCl pH8
Resolution 2.20 Å R-free 0.249
9RCG Vitamin D receptor complex with a vitamin D receptor agonist/histone deacetylase inhibitor hybrid molecule Deposited 2025-05-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 686–698（13 aa）
Not recorded A1JD5 4-[4-[3-[5-[(3~{S})-4,4-dimethyl-3-oxidanyl-pentyl]-4-methyl-1,3-thiazol-2-yl]pentan-3-yl]phenoxy]-~{N}-oxidanyl-butanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；Na2 Tartrate 1.1M, MgCl2 0.2M, Hepes 0.1M pH7.5
Resolution 2.10 Å R-free 0.206
9RMR Crystal structure of RXR alpha LBD bound to a synthetic agonist FN558 and a coactivator fragment Deposited 2025-06-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 687–696（10 aa）
Not recorded A1JH6 FN558 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；20% PEG 3350, 0.1 M magnesium actetate
Resolution 1.65 Å R-free 0.215
9SMQ Crystal structure of LRH-1/TIF-2 peptide in complex with CP4 Deposited 2025-09-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 740–753（14 aa）
Chain E 740–753（14 aa）
Not recorded A1JOT 3-[5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]propanoic acid × 1 PO4 PHOSPHATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.25 M Ammonium phosphate monobasic 0.9 Ammonium phosphate dibasic
Resolution 2.20 Å R-free 0.244

283 other PDB entries and 334 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name NCOA2_HUMAN
Isoform —
PDB entities 2
Chains and sequence ranges Author chain C； PDBConstruct 1–11； UniProt 741–751

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 6knw

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6knw
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2. Structure Basics 2. Structure Basics

Entry ID entry_id6knw
Deposition date deposition_date2019-08-07
Structure title titleTHRb mutation with a novel agonist
Keywords keywordsagonist, thyroid hormone receptor, anemia, TRANSCRIPTION; TRANSCRIPTION
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier19.29 Å
Radius of gyration Rg (electron density) rg_electron18.20 Å
Forward intensity I(0) i014092900.00
Molecular weight molecular_weight29121.0 kDa
Excluded volume excluded_volume36818 ų
Envelope volume envelope_volume41298 ų
Hydration-shell volume shell_volume18870 ų
Envelope diameter envelope_diameter66.3 Å
Shell Rg shell_rg24.57 Å
Envelope Rg envelope_rg18.58 Å
Shape Rg shape_rg18.22 Å
Total Rg total_rg19.11 Å
Total atoms total_atoms2046
Residues n_residues253
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax64.9 Å
Rg (real space) rg_real19.19 Å
Rg uncertainty (real space) rg_real_error0.53 Å
I(0) (real space) i0_real1.4090e+07
I(0) uncertainty (real space) i0_real_error1.9060e+05
Rg (reciprocal space) rg_reciprocal19.21 Å
I(0) (reciprocal space) i0_reciprocal14090000.0000
Solution quality estimate total_estimate0.7945
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks3
Primary peak position r_peak_primary24.7 Å
Skewness Skewness skewness0.226
Kurtosis Kurtosis kurtosis-0.329
Angular range angular_range— – 0.4100 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha3069000.0000
Real-space data points n_real_points72
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.779; Stabil: 0.996; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.000
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (4)

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd6knwa_
Class classa — All alpha proteins
Fold Fold folda.123 — Nuclear receptor ligand-binding domain
Superfamily Superfamily superfamilya.123.1 — Nuclear receptor ligand-binding domain
Family Family familya.123.1.1 — Nuclear receptor ligand-binding domain

CATH v4.4 (1 domains)

Domain ID domain_id6knwA00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology565 — Retinoid X Receptor
Homologous superfamily homologous superfamily10 — Retinoid X Receptor
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8. Citations (2)

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9. Files and Curves (10)