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5kra

Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with DDT and DDE

Method: X-RAY DIFFRACTION Dmax: 115.8 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Estrogen receptor

Homo sapiens

UniProt P03372

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 × 4 PDB declaration: tetrameric（4） Consistent with protein copy count Chain A； UniProt 125–381 Chain B； UniProt 125–381 Fragment：ligand-binding domain Mutation：Y537S NCOA2 × 2 6WS 1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene × 1 6WT 1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene × 1 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 0.248
2 Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count Chain E； UniProt 125–381 Chain F； UniProt 125–381 Fragment：ligand-binding domain Mutation：Y537S NCOA2 × 2 6WS 1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene × 1 6WT 1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene × 1 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 0.248

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 5KRA Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1A52 ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN COMPLEXED TO ESTRADIOL Deposited 1998-02-19 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 297–554（258 aa） Fragment：LIGAND-BINDING DOMAIN
Chain B 297–554（258 aa） Fragment：LIGAND-BINDING DOMAIN
Not recorded EST ESTRADIOL × 2 AU GOLD ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；291 K；WELL: 100 MM TRIS PH 7.6 480 MM MGCL2 10 MM MGOAC2 10% ETHYLENE GLYCOL 5% PEG 4000. PROTEIN STOCK: 18 MG/ML ERLBD 25 MM TRIS PH 7.4 200 MM NACL 1 MM EDTA 1 MM DTT 20 MICROMOLAR ESTRADIOL 0.1% BETA-OCTYL GLUCOSIDE AT 18 CELSIUS., vapor diffusion - hanging drop, temperature 291K
Resolution 2.80 Å R-free 0.274
1A52 ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN COMPLEXED TO ESTRADIOL Deposited 1998-02-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 297–554（258 aa） Fragment：LIGAND-BINDING DOMAIN
Chain B 297–554（258 aa） Fragment：LIGAND-BINDING DOMAIN
Not recorded EST ESTRADIOL × 4 AU GOLD ION × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；291 K；WELL: 100 MM TRIS PH 7.6 480 MM MGCL2 10 MM MGOAC2 10% ETHYLENE GLYCOL 5% PEG 4000. PROTEIN STOCK: 18 MG/ML ERLBD 25 MM TRIS PH 7.4 200 MM NACL 1 MM EDTA 1 MM DTT 20 MICROMOLAR ESTRADIOL 0.1% BETA-OCTYL GLUCOSIDE AT 18 CELSIUS., vapor diffusion - hanging drop, temperature 291K
Resolution 2.80 Å R-free 0.274
1A52 ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN COMPLEXED TO ESTRADIOL Deposited 1998-02-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 297–554（258 aa） Fragment：LIGAND-BINDING DOMAIN
Chain B 297–554（258 aa） Fragment：LIGAND-BINDING DOMAIN
Not recorded EST ESTRADIOL × 4 AU GOLD ION × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；291 K；WELL: 100 MM TRIS PH 7.6 480 MM MGCL2 10 MM MGOAC2 10% ETHYLENE GLYCOL 5% PEG 4000. PROTEIN STOCK: 18 MG/ML ERLBD 25 MM TRIS PH 7.4 200 MM NACL 1 MM EDTA 1 MM DTT 20 MICROMOLAR ESTRADIOL 0.1% BETA-OCTYL GLUCOSIDE AT 18 CELSIUS., vapor diffusion - hanging drop, temperature 291K
Resolution 2.80 Å R-free 0.274
1A52 ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN COMPLEXED TO ESTRADIOL Deposited 1998-02-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 297–554（258 aa） Fragment：LIGAND-BINDING DOMAIN
Chain B 297–554（258 aa） Fragment：LIGAND-BINDING DOMAIN
Not recorded EST ESTRADIOL × 2 AU GOLD ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；291 K；WELL: 100 MM TRIS PH 7.6 480 MM MGCL2 10 MM MGOAC2 10% ETHYLENE GLYCOL 5% PEG 4000. PROTEIN STOCK: 18 MG/ML ERLBD 25 MM TRIS PH 7.4 200 MM NACL 1 MM EDTA 1 MM DTT 20 MICROMOLAR ESTRADIOL 0.1% BETA-OCTYL GLUCOSIDE AT 18 CELSIUS., vapor diffusion - hanging drop, temperature 291K
Resolution 2.80 Å R-free 0.274
1ERE HUMAN ESTROGEN RECEPTOR LIGAND-BINDING DOMAIN IN COMPLEX WITH 17BETA-ESTRADIOL Deposited 1997-09-08 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 301–553（253 aa） Fragment：LIGAND-BINDING DOMAIN
Chain B 301–553（253 aa） Fragment：LIGAND-BINDING DOMAIN
Not recorded EST ESTRADIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.1；2.4M AMMONIUM FORMATE, 8% DIMETHYLSULPHOXIDE, 0.1M TRIS-HCL, PH 8.1
Resolution 3.10 Å R-free 0.251
1ERE HUMAN ESTROGEN RECEPTOR LIGAND-BINDING DOMAIN IN COMPLEX WITH 17BETA-ESTRADIOL Deposited 1997-09-08 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 C 301–553（253 aa） Fragment：LIGAND-BINDING DOMAIN
Chain D 301–553（253 aa） Fragment：LIGAND-BINDING DOMAIN
Not recorded EST ESTRADIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.1；2.4M AMMONIUM FORMATE, 8% DIMETHYLSULPHOXIDE, 0.1M TRIS-HCL, PH 8.1
Resolution 3.10 Å R-free 0.251
1ERE HUMAN ESTROGEN RECEPTOR LIGAND-BINDING DOMAIN IN COMPLEX WITH 17BETA-ESTRADIOL Deposited 1997-09-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 301–553（253 aa） Fragment：LIGAND-BINDING DOMAIN
Chain F 301–553（253 aa） Fragment：LIGAND-BINDING DOMAIN
Not recorded EST ESTRADIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.1；2.4M AMMONIUM FORMATE, 8% DIMETHYLSULPHOXIDE, 0.1M TRIS-HCL, PH 8.1
Resolution 3.10 Å R-free 0.251
1ERR HUMAN ESTROGEN RECEPTOR LIGAND-BINDING DOMAIN IN COMPLEX WITH RALOXIFENE Deposited 1997-09-08 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 301–553（253 aa） Fragment：LIGAND-BINDING DOMAIN
Chain B 301–553（253 aa） Fragment：LIGAND-BINDING DOMAIN
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) RAL RALOXIFENE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；12% (W/V) PEG 4000, 0.2M MAGNESIUM CHLORIDE, 50MM L-LYSINE, 0.1M SUCROSE, 5% 1,4-DIOXANE, 0.1M TRIS-HCL, PH 8.5
Resolution 2.60 Å R-free 0.299
1G50 CRYSTAL STRUCTURE OF A WILD TYPE HER ALPHA LBD AT 2.9 ANGSTROM RESOLUTION Deposited 2000-10-30 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 304–550（247 aa）
Not recorded EST ESTRADIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；PEG400, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.90 Å R-free 0.310
1G50 CRYSTAL STRUCTURE OF A WILD TYPE HER ALPHA LBD AT 2.9 ANGSTROM RESOLUTION Deposited 2000-10-30 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 B 304–550（247 aa）
Chain C 304–550（247 aa）
Not recorded EST ESTRADIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；PEG400, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.90 Å R-free 0.310
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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 301–548（248 aa） Fragment：LIGAND-BINDING DOMAIN, RESIDUES 301-548
Chain B 301–548（248 aa） Fragment：LIGAND-BINDING DOMAIN, RESIDUES 301-548
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 305–549（245 aa） Fragment：LIGAND-BINDING DOMAIN RESIDUES 305-549
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 305–549（245 aa） Fragment：LIGAND-BINDING DOMAIN RESIDUES 305-549
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
1HCP DNA RECOGNITION BY THE OESTROGEN RECEPTOR: FROM SOLUTION TO THE CRYSTAL Deposited 1993-11-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 176–254（79 aa）
Not recorded ZN ZINC ION × 2 SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
1HCQ THE CRYSTAL STRUCTURE OF THE ESTROGEN RECEPTOR DNA-BINDING DOMAIN BOUND TO DNA: HOW RECEPTORS DISCRIMINATE BETWEEN THEIR RESPONSE ELEMENTS Deposited 1995-01-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric
Chain A 180–262（83 aa）
Chain B 180–262（83 aa）
Not recorded ZN ZINC ION × 4 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.40 Å
1HCQ THE CRYSTAL STRUCTURE OF THE ESTROGEN RECEPTOR DNA-BINDING DOMAIN BOUND TO DNA: HOW RECEPTORS DISCRIMINATE BETWEEN THEIR RESPONSE ELEMENTS Deposited 1995-01-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric
Chain E 180–262（83 aa）
Chain F 180–262（83 aa）
Not recorded ZN ZINC ION × 4 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.40 Å
1L2I Human Estrogen Receptor alpha Ligand-binding Domain in Complex with (R,R)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol and a Glucocorticoid Receptor Interacting Protein 1 NR box II Peptide Deposited 2002-02-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 297–554（258 aa） Fragment：ligand-binding domain (residues 297-554)
Chain B 297–554（258 aa） Fragment：ligand-binding domain (residues 297-554)
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 1 ETC (R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；16% (w/v) PEG 4000, 50 mM Magnesium chloride, 53 mM Tris pH 8.8 292-294 K, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.95 Å R-free 0.243
1L2I Human Estrogen Receptor alpha Ligand-binding Domain in Complex with (R,R)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol and a Glucocorticoid Receptor Interacting Protein 1 NR box II Peptide Deposited 2002-02-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 297–554（258 aa） Fragment：ligand-binding domain (residues 297-554)
Chain B 297–554（258 aa） Fragment：ligand-binding domain (residues 297-554)
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 1 ETC (R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；16% (w/v) PEG 4000, 50 mM Magnesium chloride, 53 mM Tris pH 8.8 292-294 K, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.95 Å R-free 0.243
1PCG Helix-stabilized cyclic peptides as selective inhibitors of steroid receptor-coactivator interactions Deposited 2003-05-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 304–547（244 aa） Fragment：ligand-binding domain
Chain B 304–547（244 aa） Fragment：ligand-binding domain
Mutation：C381S, C417S, C530S Mutation：C381S, C417S, C530S EST ESTRADIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.8；294 K；MES, LiCl, PEG 6000, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.70 Å R-free 0.254
1QKT MUTANT ESTROGEN NUCLEAR RECEPTOR LIGAND BINDING DOMAIN COMPLEXED WITH ESTRADIOL Deposited 1999-08-05 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 304–551（248 aa） Fragment：LIGAND BINDING DOMAIN, RESIDUES 304-551
Mutation：YES EST ESTRADIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7.00
Resolution 2.20 Å R-free 0.273
1QKU WILD TYPE ESTROGEN NUCLEAR RECEPTOR LIGAND BINDING DOMAIN COMPLEXED WITH ESTRADIOL Deposited 1999-08-05 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 301–550（250 aa） Fragment：LIGAND BINDING DOMAIN
Not recorded EST ESTRADIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7.00
Resolution 3.20 Å R-free 0.275
1QKU WILD TYPE ESTROGEN NUCLEAR RECEPTOR LIGAND BINDING DOMAIN COMPLEXED WITH ESTRADIOL Deposited 1999-08-05 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 B 301–550（250 aa） Fragment：LIGAND BINDING DOMAIN
Chain C 301–550（250 aa） Fragment：LIGAND BINDING DOMAIN
Not recorded EST ESTRADIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7.00
Resolution 3.20 Å R-free 0.275
1R5K Human Estrogen Receptor alpha Ligand-Binding Domain In Complex With GW5638 Deposited 2003-10-10 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 297–554（258 aa） Fragment：Ligand-Binding Domain (residues 297-554)
Chain B 297–554（258 aa） Fragment：Ligand-Binding Domain (residues 297-554)
Not recorded GW5 (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；277 K；Ethylene imine polymer, tri-sodium citrate, sodium chloride, yttrium chloride hexahydrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.70 Å R-free 0.236
1R5K Human Estrogen Receptor alpha Ligand-Binding Domain In Complex With GW5638 Deposited 2003-10-10 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 C 297–554（258 aa） Fragment：Ligand-Binding Domain (residues 297-554)
Not recorded GW5 (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；277 K；Ethylene imine polymer, tri-sodium citrate, sodium chloride, yttrium chloride hexahydrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.70 Å R-free 0.236
1SJ0 Human Estrogen Receptor Alpha Ligand-binding Domain in Complex with the Antagonist Ligand 4-D Deposited 2004-03-02 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 307–554（248 aa） Fragment：Ligand Binding Domain
Not recorded E4D (2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-2,3-DIHYDRO-3-(4-HYDROXYPHENYL)BENZO[B][1,4]OXATHIIN-6-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；2-10% PEG 3350, 0.02-0.20 MMGCL2, PH 7.1 Imidazole , VAPOR DIFFUSION, HANGING DROP
Resolution 1.90 Å R-free 0.272
1UOM The Structure of Estrogen Receptor in Complex with a Selective and Potent Tetrahydroisochiolin Ligand. Deposited 2003-04-11 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 301–553（253 aa） Fragment：LIGAND BINDING DOMAIN, RESIDUES 301 - 553
Mutation：YES PTI 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；0.1 M MES PH 6.5 9-11% PEG-3350, 0.4 M NACL
Resolution 2.28 Å R-free 0.287
1X7E CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR ALPHA COMPLEXED WITH WAY-244 Deposited 2004-08-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 305–549（245 aa）
Chain B 305–549（245 aa）
Not recorded 244 [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；291 K；PEG3350, NaI, pH 7.40, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.80 Å R-free 0.286
1X7R CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR ALPHA COMPLEXED WITH GENISTEIN Deposited 2004-08-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 305–549（245 aa）
Not recorded GEN GENISTEIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；291 K；PEG3350, NaI., pH 7.40, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.00 Å R-free 0.269
1XP1 HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 15 Deposited 2004-10-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 307–554（248 aa） Fragment：LIGAND BINDING DOMAIN
Not recorded AIH (2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.1；2-10% PEG 3350, 0.02-0.20M MGCL2, IMIDAZOLE, VAPOR DIFFUSION, HANGING DROP, pH 7.10
Resolution 1.80 Å R-free 0.269
1XP6 HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 16 Deposited 2004-10-08 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 307–554（248 aa） Fragment：LIGAND BINDING DOMAIN
Not recorded AIU (2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.1；2-10% PEG 3350, 0.02-0.20M MGCL2, IMIDAZOLE, VAPOR DIFFUSION, HANGING DROP, PH 7.10
Resolution 1.70 Å R-free 0.267
1XP9 HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 18 Deposited 2004-10-08 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 307–554（248 aa） Fragment：LIGAND BINDING DOMAIN
Not recorded AIJ (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.1；2-10% PEG 3350, 0.02-0.20M MGCL2, IMIDAZOLE, VAPOR DIFFUSION, HANGING DROP, pH 7.10
Resolution 1.80 Å R-free 0.299
1XPC HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 19 Deposited 2004-10-08 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 307–554（248 aa） Fragment：LIGAND BINDING DOMAIN
Not recorded AIT (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2R)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.1；2-10% PEG 3350, 0.02-0.20M MGCL2, IMIDAZOLE, VAPOR DIFFUSION, HANGING DROP, pH 7.10
Resolution 1.60 Å R-free 0.251
1XQC X-ray structure of ERalpha LBD bound to a tetrahydroisoquinoline SERM ligand at 2.05A resolution Deposited 2004-10-12 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 301–553（253 aa） Fragment：ligand binding domain
Chain B 301–553（253 aa） Fragment：ligand binding domain
Mutation：C381S, C417S, C530S Mutation：C381S, C417S, C530S AEJ (1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；PEG-550ME, sodium chloride, bicine, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.05 Å R-free 0.254
1XQC X-ray structure of ERalpha LBD bound to a tetrahydroisoquinoline SERM ligand at 2.05A resolution Deposited 2004-10-12 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 C 301–553（253 aa） Fragment：ligand binding domain
Chain D 301–553（253 aa） Fragment：ligand binding domain
Mutation：C381S, C417S, C530S Mutation：C381S, C417S, C530S AEJ (1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；PEG-550ME, sodium chloride, bicine, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.05 Å R-free 0.254
1YIM Human estrogen receptor alpha ligand-binding domain in complex with compound 4 Deposited 2005-01-12 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 307–554（248 aa） Fragment：LIGAND BINDING DOMAIN, residues 307-554
Not recorded CM4 (2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；2-10% PEG 3350, 0.02-0.20M MGCL2, IMIDAZOLE, pH 7.10, VAPOR DIFFUSION, HANGING DROP
Resolution 1.90 Å R-free 0.258
1YIN Human estrogen receptor alpha ligand-binding domain in complex with compound 3F Deposited 2005-01-12 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 307–554（248 aa） Fragment：LIGAND BINDING DOMAIN, residues 307-554
Not recorded CM3 (2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；2-10% PEG 3350, 0.02-0.20M MGCL2, IMIDAZOLE, pH 7.10, VAPOR DIFFUSION, HANGING DROP
Resolution 2.20 Å R-free 0.296
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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：Ligand Binding Domain
Chain B 298–554（257 aa） Fragment：Ligand Binding Domain
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 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
2AYR A SERM Designed for the Treatment of Uterine Leiomyoma with Unique Tissue Specificity for Uterus and Ovaries in Rats Deposited 2005-09-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 304–551（248 aa） Fragment：ligand binding domain, residues 304-551
Mutation：C381S, C417S, C530S L4G 6-(4-METHYLSULFONYL-PHENYL)-5-[4-(2-PIPERIDIN-1-YLETHOXY)PHENOXY]NAPHTHALEN-2-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.8；298 K；0.085mM protein, PEG 4000, magnesium chloride, MES, ethylene glycol, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.90 Å R-free 0.263
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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：LIGAND BINDING DOMAIN
Chain B 298–554（257 aa） Fragment：LIGAND BINDING DOMAIN
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：LIGAND BINDING DOMAIN
Chain B 298–554（257 aa） Fragment：LIGAND BINDING DOMAIN
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：LIGAND BINDING DOMAIN
Chain B 298–554（257 aa） Fragment：LIGAND BINDING DOMAIN
Mutation：S537Y Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：S537Y Non-standard monomer：Yes (specific site not provided by mmCIF) 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
2BJ4 ESTROGEN RECEPTOR ALPHA LBD IN COMPLEX WITH A PHAGE-DISPLAY DERIVED PEPTIDE ANTAGONIST Deposited 2005-01-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 305–533（229 aa） Fragment：RESIDUES 305-533 (LIGAND-BINDING DOMAIN)
Chain B 305–533（229 aa） Fragment：RESIDUES 305-533 (LIGAND-BINDING DOMAIN)
Non-standard monomer：Yes (specific site not provided by mmCIF) OHT 4-HYDROXYTAMOXIFEN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；20% PEG2000MME 0.6M SODIUM FORMATE 0.1M TRIS PH8, PH 8.00
Resolution 2.00 Å R-free 0.219
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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：LIGAND BINDING DOMAIN
Chain B 298–554（257 aa） Fragment：LIGAND BINDING DOMAIN
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：LIGAND BINDING DOMAIN
Chain B 298–554（257 aa） Fragment：LIGAND BINDING DOMAIN
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：Ligand Binding Domain
Chain B 298–554（257 aa） Fragment：Ligand Binding Domain
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 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
2I0J Benzopyrans are Selective Estrogen Receptor beta Agonists (SERBAs) with Novel Activity in Models of Benign Prostatic Hyperplasia Deposited 2006-08-10 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 304–547（244 aa） Fragment：steroid binding domain
Chain B 304–547（244 aa） Fragment：steroid binding domain
Mutation：C381S, C417S, C530S Mutation：C381S, C417S, C530S I0G (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；289 K；0.1M Tris, 0.2M magnesium chloride, 20% PEG 4000, 10% ethylene glycol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 289.0K
Resolution 2.90 Å R-free 0.263
2I0J Benzopyrans are Selective Estrogen Receptor beta Agonists (SERBAs) with Novel Activity in Models of Benign Prostatic Hyperplasia Deposited 2006-08-10 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 C 304–547（244 aa） Fragment：steroid binding domain
Chain D 304–547（244 aa） Fragment：steroid binding domain
Mutation：C381S, C417S, C530S Mutation：C381S, C417S, C530S I0G (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；289 K；0.1M Tris, 0.2M magnesium chloride, 20% PEG 4000, 10% ethylene glycol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 289.0K
Resolution 2.90 Å R-free 0.263
2IOG Human estrogen receptor alpha ligand-binding domain in complex with compound 11F Deposited 2006-10-10 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 309–554（246 aa） Fragment：Steroid-binding region, residues 306-554
Not recorded IOG N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-1H-INDOL-3-YL]ACETAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.1；297 K；2-10% PEG 3350, 0.02-0.20M MGCL2, IMIDAZOLE, VAPOR DIFFUSION, HANGING DROP, PH 7.10, temperature 297K
Resolution 1.60 Å R-free 0.328
2IOK Human estrogen receptor alpha ligand-binding domain in complex with compound 1D Deposited 2006-10-10 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 301–554（254 aa） Fragment：Steroid-binding region, residues 306-554
Chain B 301–554（254 aa） Fragment：Steroid-binding region, residues 306-554
Not recorded IOK N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.40 Å R-free 0.323
2JF9 ESTROGEN RECEPTOR ALPHA LBD IN COMPLEX WITH A TAMOXIFEN-SPECIFIC PEPTIDE ANTAGONIST Deposited 2007-01-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 304–533（230 aa） Fragment：LIGAND-BINDING DOMAIN, RESIDUES 304-533
Chain B 304–533（230 aa） Fragment：LIGAND-BINDING DOMAIN, RESIDUES 304-533
Chain C 304–533（230 aa） Fragment：LIGAND-BINDING DOMAIN, RESIDUES 304-533
Not recorded OHT 4-HYDROXYTAMOXIFEN × 6 BCT BICARBONATE ION × 2 EDO 1,2-ETHANEDIOL × 12 CA CALCIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；2.5% PEG550MME 2.5% PEK20K 0.06M CALCIUM ACETATE 0.1M TRIS PH8.5, pH 8.50
Resolution 2.10 Å R-free 0.198
2JFA ESTROGEN RECEPTOR ALPHA LBD IN COMPLEX WITH AN AFFINITY-SELECTED COREPRESSOR PEPTIDE Deposited 2007-01-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 304–533（230 aa） Fragment：LIGAND-BINDING DOMAIN, RESIDUES 304-533
Chain B 304–533（230 aa） Fragment：LIGAND-BINDING DOMAIN, RESIDUES 304-533
Non-standard monomer：Yes (specific site not provided by mmCIF) RAL RALOXIFENE × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；0.35M AMMONIUM SULPHATE, 0.7M LITHIUM SULPHATE, 0.07M TRI-SODIUM CITRATE PH5.6, pH 5.60
Resolution 2.55 Å R-free 0.213
2LLO Solution NMR-derived structure of calmodulin N-lobe bound with ER alpha peptide Deposited 2011-11-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 287–305（19 aa） Fragment：UNP residues 287-305
Not recorded CA CALCIUM ION × 2 SOLUTION NMR
NMR measurement conditions pH 7；310 K；Ionic strength (raw mmCIF value) 0.02；Pressure ambient
NMR sample composition 1 mM [U-100% 13C; U-100% 15N] TRIS, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2LLQ Solution nmr-derived structure of calmodulin c-lobe bound with er alpha peptide Deposited 2011-11-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 287–305（19 aa） Fragment：UNP residues 287-305
Not recorded CA CALCIUM ION × 2 SOLUTION NMR
NMR measurement conditions pH 7；310 K；Ionic strength (raw mmCIF value) 0.02；Pressure ambient
NMR sample composition 1 mM [U-100% 13C; U-100% 15N] protein, 93% H2O/7% D2O | 93% H2O/7% D2O
Resolution not provided
2OCF Human estrogen receptor alpha ligand-binding domain in complex with estradiol and the E2#23 FN3 monobody Deposited 2006-12-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–595（298 aa） Fragment：Ligand Binding Domain, Residues 298-595
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) EST ESTRADIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；289 K；2.5M NaCl, 0.1M Imidazole, pH 8.0, 0.2M Zn(OAc)2, VAPOR DIFFUSION, SITTING DROP, temperature 289K
Resolution 2.95 Å R-free 0.251
2OUZ Crystal Structure of Estrogen Receptor alpha-lasofoxifene complex Deposited 2007-02-12 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 301–553（253 aa） Fragment：Ligand Binding Domain, residues 306-551
Not recorded C3D (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；295 K；0.1 M NaHEPES, 0.5 M NaCl, 6% ethylene glycol, 10-12%PEG 8000, 5mM DTT, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.00 Å R-free 0.269
2P15 Crystal structure of the ER alpha ligand binding domain with the agonist ortho-trifluoromethylphenylvinyl estradiol Deposited 2007-03-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：Ligand Binding Domain (residues 298-554)
Chain B 298–554（257 aa） Fragment：Ligand Binding Domain (residues 298-554)
Mutation：Y537S Mutation：Y537S 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
2POG Benzopyrans as Selective Estrogen Receptor b Agonists (SERBAs). Part 2: Structure Activity Relationship Studies on the Benzopyran Scaffold. Deposited 2007-04-26 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 304–551（248 aa） Fragment：ligand binding domain (residues 304-551)
Chain B 304–551（248 aa） Fragment：ligand binding domain (residues 304-551)
Mutation：C381S, C417S, C530S Mutation：C381S, C417S, C530S WST (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；289 K；0.1 M Tris-HCl, pH 8.0, 0.2 M MgCl2, 20 % PEG 4000 and 10% ethylene glycol., VAPOR DIFFUSION, temperature 289K
Resolution 1.84 Å R-free 0.252
2Q6J Crystal Structure of Estrogen Receptor alpha Complexed to a B-N Substituted Ligand Deposited 2007-06-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：residues 298-554
Chain B 298–554（257 aa） Fragment：residues 298-554
Mutation：Y537S Mutation：Y537S A48 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；25-28% (w/v) PEG monomethyl ether 2000, 0.1M Bis Tris pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.70 Å R-free 0.297
2Q70 Estrogen receptor alpha ligand-binding domain complxed to a benzopyran ligand Deposited 2007-06-05 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 304–551（248 aa） Fragment：ligand-binding domain (Residues 304-551)
Chain B 304–551（248 aa） Fragment：ligand-binding domain (Residues 304-551)
Mutation：C381S, C417S, C530S Mutation：C381S, C417S, C530S DC8 (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；289 K；0.1M Tris, 0.2M magnesium chloride, 20% PEG 4000, 10% ethylene glycol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 1.95 Å R-free 0.303
2QA6 Crystal Structure of Estrogen Receptor Alpha mutant 537S Complexed with 4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol Deposited 2007-06-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：Steroid-binding region, residues 298-554
Chain B 298–554（257 aa） Fragment：Steroid-binding region, residues 298-554
Mutation：Y537S Mutation：Y537S KN2 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.60 Å R-free 0.249
2QA8 Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Mutant 537S Complexed with Genistein Deposited 2007-06-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：Steroid-binding region, residues 298-554
Chain B 298–554（257 aa） Fragment：Steroid-binding region, residues 298-554
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) GEN GENISTEIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 8.0
Resolution 1.85 Å R-free 0.264
2QAB Crystal Structure of Estrogen Receptor Alpha Ligand Binding Domain Mutant 537S Complexed with an Ethyl Indazole Compound Deposited 2007-06-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：Steroid-binding region, residues 298-554
Chain B 298–554（257 aa） Fragment：Steroid-binding region, residues 298-554
Mutation：Y537S Mutation：Y537S EI1 3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.89 Å R-free 0.270
2QE4 Estrogen receptor alpha ligand-binding domain in complex with a benzopyran agonist Deposited 2007-06-22 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 304–551（248 aa） Fragment：Ligand binding domain
Chain B 304–551（248 aa） Fragment：Ligand binding domain
Mutation：C381S, C417S, C530S Mutation：C381S, C417S, C530S JJ3 (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.8；298 K；100 mM MES pH 6.8, 0.5 M MgCl2, 15% w/v PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.40 Å R-free 0.279
2QGT Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to an Ether Estradiol Compound Deposited 2007-06-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：Steroid-binding region, residues 298-554
Chain B 298–554（257 aa） Fragment：Steroid-binding region, residues 298-554
Mutation：Y537S Mutation：Y537S EED (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 8.0
Resolution 2.15 Å R-free 0.240
2QGW Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with a Chloro-Indazole Compound Deposited 2007-06-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：Steroid-binding region, residues 298-554
Chain B 298–554（257 aa） Fragment：Steroid-binding region, residues 298-554
Mutation：Y537S Mutation：Y537S EES 3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.39 Å R-free 0.296
2QH6 Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with an Oxabicyclic diarylethylene Compound Deposited 2007-06-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：Steroid-binding region, residues 298-554
Chain B 298–554（257 aa） Fragment：Steroid-binding region, residues 298-554
Mutation：Y537S Mutation：Y537S ODE DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 8.0
Resolution 2.70 Å R-free 0.291
2QR9 Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with an Oxabicyclic Derivative Compound Deposited 2007-07-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：Steroid-binding region, residues 298-554
Chain B 298–554（257 aa） Fragment：Steroid-binding region, residues 298-554
Mutation：Y537S Mutation：Y537S HZ3 dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；0.1M Tris 8.5, 0.2M Magnesium Hexahydrate, 25% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.262
2QSE Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain complexed with Burned Meat Compound 4-OH-PhIP Deposited 2007-07-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：Steroid-binding region, residues 298-554
Chain B 298–554（257 aa） Fragment：Steroid-binding region, residues 298-554
Mutation：Y537S Mutation：Y537S 1HP 4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；0.2M Magnesium chloride hexahydrate, 0.1M Tris 8.5, 25% Polyehtlyene glycol 3,350, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.85 Å R-free 0.225
2QXM Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Burned Meat Compound PhIP Deposited 2007-08-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：STEROID-BINDING REGION, RESIDUES 298-554
Chain B 298–554（257 aa） Fragment：STEROID-BINDING REGION, RESIDUES 298-554
Not recorded PIQ 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；298 K；0.2M Magnesium chloride hexahydrate, 0.1M Tris 8.5, 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 8.50
Resolution 2.30 Å R-free 0.296
2QXS Crystal Structure of Antagonizing Mutant 536S of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Raloxifene Deposited 2007-08-12 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 298–554（257 aa） Fragment：STEROID-BINDING REGION, RESIDUES 298-554
Chain B 298–554（257 aa） Fragment：STEROID-BINDING REGION, RESIDUES 298-554
Mutation：L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L536S Non-standard monomer：Yes (specific site not provided by mmCIF) RAL RALOXIFENE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.216
2QZO Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with WAY-169916 Deposited 2007-08-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：STEROID-BINDING REGION, RESIDUES 298-554
Chain B 298–554（257 aa） Fragment：STEROID-BINDING REGION, RESIDUES 298-554
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) KN1 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5, 25% w/v Polyethylene glycol 3,350, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.72 Å R-free 0.221
2R6W Estrogen receptor alpha ligand-binding domain complexed to a SERM Deposited 2007-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 304–551（248 aa） Fragment：ligand binding domain, UNP residues 304-551
Chain B 304–551（248 aa） Fragment：ligand binding domain, UNP residues 304-551
Mutation：C381S, C417S and C530S Mutation：C381S, C417S and C530S LLB [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.8；298 K；100 mM MES pH 6.8, 0.5 M MgCl2, 15% w/v PEG 4000, VAPOR DIFFUSION, temperature 298K
Resolution 2.00 Å R-free 0.257
2R6Y Estrogen receptor alpha ligand-binding domain in complex with a SERM Deposited 2007-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 304–551（248 aa） Fragment：ligand binding domain, UNP RESIDUES 304-551
Chain B 304–551（248 aa） Fragment：ligand binding domain, UNP RESIDUES 304-551
Mutation：C381S, C417S and C530S Mutation：C381S, C417S and C530S LLC [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.8；298 K；100 mM MES pH 6.8, 0.5 M MgCl2, 15% w/v PEG 4000, VAPOR DIFFUSION, temperature 298K
Resolution 2.00 Å R-free 0.271
2YAT Crystal structure of estradiol derived metal chelate and estrogen receptor-ligand binding domain complex Deposited 2011-02-24 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 301–551（251 aa） Fragment：LIGAND-BINDING DOMAIN, RESIDUES 301-551
Mutation：YES EU EUROPIUM ION × 2 EEU ESTRADIOL-PYRIDINIUM TETRAACETIC ACID × 2 FMT FORMIC ACID × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；20% POLYETHYLENE GLYCOL MONOMETHYL ETHER 5000, 5% TACSIMATE25, 0.1 M HEPES, PH 7.0.
Resolution 2.60 Å R-free 0.228
2YJA Stapled Peptides binding to Estrogen Receptor alpha. Deposited 2011-05-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 299–551（253 aa） Fragment：LIGAND-BINDING DOMAIN, RESIDUES 299-551
Not recorded EST ESTRADIOL × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.82 Å R-free 0.234
3CBO SET7/9-ER-AdoHcy complex Deposited 2008-02-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 298–307（10 aa） Fragment：UNP residues 298-307
Non-standard monomer：Yes (specific site not provided by mmCIF) SAH S-ADENOSYL-L-HOMOCYSTEINE × 1 BME BETA-MERCAPTOETHANOL × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；40-42.5% PEG3350, 100 mM Tris, pH 8.0, VAPOR DIFFUSION
Resolution 1.65 Å R-free 0.231
3CBO SET7/9-ER-AdoHcy complex Deposited 2008-02-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 298–307（10 aa） Fragment：UNP residues 298-307
Non-standard monomer：Yes (specific site not provided by mmCIF) SAH S-ADENOSYL-L-HOMOCYSTEINE × 2 BME BETA-MERCAPTOETHANOL × 6 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；40-42.5% PEG3350, 100 mM Tris, pH 8.0, VAPOR DIFFUSION
Resolution 1.65 Å R-free 0.231
3CBP Set7/9-ER-Sinefungin complex Deposited 2008-02-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 298–307（10 aa） Fragment：UNP residues 298-307
Not recorded SFG SINEFUNGIN × 1 BME BETA-MERCAPTOETHANOL × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；40-42.5% PEG3350, 100 mM Tris, pH 8.0, VAPOR DIFFUSION, pH 8.00
Resolution 1.42 Å R-free 0.243
3DT3 Human Estrogen receptor alpha LBD with GW368 Deposited 2008-07-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 299–551（253 aa） Fragment：ligand binding domain
Chain B 299–551（253 aa） Fragment：ligand binding domain
Not recorded 369 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；0.1M Hepes pH7.0, 12% PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.40 Å R-free 0.262
3ERD HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH DIETHYLSTILBESTROL AND A GLUCOCORTICOID RECEPTOR INTERACTING PROTEIN 1 NR BOX II PEPTIDE Deposited 1999-03-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 294–554（261 aa） Fragment：LIGAND-BINDING DOMAIN
Chain B 294–554（261 aa） Fragment：LIGAND-BINDING DOMAIN
Not recorded CL CHLORIDE ION × 1 DES DIETHYLSTILBESTROL × 2 ACY ACETIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；WELL: 25-27%(W/V) PEG 4000, 0.180 M SODIUM ACETATE, 0.90 M TRIS PH 8.75-9.0 PROTEIN: 4.3 G/L TEMPERATURE: 19-21 DEGREES C, pH 8.5
Resolution 2.03 Å R-free 0.248
3ERT HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH 4-HYDROXYTAMOXIFEN Deposited 1999-03-30 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 294–554（261 aa） Fragment：LIGAND-BINDING DOMAIN
Not recorded OHT 4-HYDROXYTAMOXIFEN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；WELL: 25-27%(W/V) PEG 4000, 0.180 M SODIUM ACETATE, 0.90 M TRIS PH 8.75-9.0 PROTEIN: 4.3 G/L TEMPERATURE: 19-21 DEGREES C, pH 7.0
Resolution 1.90 Å R-free 0.262
3HLV Crystal structure of human Estrogen Receptor Alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide and 16-alpha-hydroxy-estrone ((8S,9R,13S,14R,16R)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15, 16-octahydro-6H-cyclopenta[a]phenanthren-17-one Deposited 2009-05-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–550（253 aa） Fragment：UNP residues 298-550
Chain B 298–550（253 aa） Fragment：UNP residues 298-550
Mutation：Y537S Mutation：Y537S J2Z (9beta,13alpha,16beta)-3,16-dihydroxyestra-1,3,5(10)-trien-17-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；289 K；0.05M magnesium chloride 0.1M HEPES 7.5 30%v/v polyethylene glycol MME 550, VAPOR DIFFUSION, SITTING DROP, temperature 289K
Resolution 3.00 Å R-free 0.269
3HM1 Crystal structure of human Estrogen Receptor Alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide and estrone ((8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one) Deposited 2009-05-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–550（253 aa）
Chain B 298–550（253 aa）
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) J3Z (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.3；289 K；0.15 M potassium bromide 30 %w/v polyethylene glycol MME 2000 , pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 289K
Resolution 2.33 Å R-free 0.289
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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–550（253 aa）
Chain B 298–550（253 aa）
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 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
3OS8 Estrogen Receptor Deposited 2010-09-08 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 299–553（255 aa）
Chain C 299–553（255 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) KN0 4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；see publication, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.03 Å R-free 0.228
3OS8 Estrogen Receptor Deposited 2010-09-08 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 B 299–553（255 aa）
Chain D 299–553（255 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) KN0 4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；see publication, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.03 Å R-free 0.228
3OS9 Estrogen Receptor Deposited 2010-09-08 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 299–553（255 aa）
Chain C 299–553（255 aa）
Not recorded KN1 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；see publication, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.30 Å R-free 0.249
3OS9 Estrogen Receptor Deposited 2010-09-08 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 B 299–553（255 aa）
Chain D 299–553（255 aa）
Not recorded KN1 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；see publication, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.30 Å R-free 0.249
3OSA Estrogen Receptor Deposited 2010-09-08 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 299–553（255 aa）
Chain C 299–553（255 aa）
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；298 K；see publication, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.30 Å R-free 0.240
3OSA Estrogen Receptor Deposited 2010-09-08 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 B 299–553（255 aa）
Chain D 299–553（255 aa）
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；298 K；see publication, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.30 Å R-free 0.240
3Q95 Crystal structure of human estrogen receptor alpha LBD in complex with GRIP peptide and estriol Deposited 2011-01-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 298–554（257 aa） Fragment：Ligand Binding Domain residues 298-554
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 298–554（257 aa） Fragment：LXXLL motif 2 residues 686-698
Non-standard monomer：Yes (specific site not provided by mmCIF) 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
3UU7 Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-A Deposited 2011-11-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 302–552（251 aa） Fragment：Ligand binding domain (residues 302-552)
Chain B 302–552（251 aa） Fragment：Ligand binding domain (residues 302-552)
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 2OH 4,4'-PROPANE-2,2-DIYLDIPHENOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；300 mM NaCl, 100 mM NaHepes pH 7.75, 30% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.20 Å R-free 0.246
3UU7 Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-A Deposited 2011-11-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 302–552（251 aa） Fragment：Ligand binding domain (residues 302-552)
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 2OH 4,4'-PROPANE-2,2-DIYLDIPHENOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；300 mM NaCl, 100 mM NaHepes pH 7.75, 30% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.20 Å R-free 0.246
3UU7 Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-A Deposited 2011-11-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 302–552（251 aa） Fragment：Ligand binding domain (residues 302-552)
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 2OH 4,4'-PROPANE-2,2-DIYLDIPHENOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；300 mM NaCl, 100 mM NaHepes pH 7.75, 30% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.20 Å R-free 0.246
3UUA Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-AF Deposited 2011-11-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 302–552（251 aa） Fragment：Ligand binding domain (residues 302-552)
Chain B 302–552（251 aa） Fragment：Ligand binding domain (residues 302-552)
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 0CZ 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；300 mM NaCl, 100 mM Hepes pH 7.75, 32% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.05 Å R-free 0.231
3UUA Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-AF Deposited 2011-11-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 302–552（251 aa） Fragment：Ligand binding domain (residues 302-552)
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 0CZ 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；300 mM NaCl, 100 mM Hepes pH 7.75, 32% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.05 Å R-free 0.231
3UUA Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-AF Deposited 2011-11-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 302–552（251 aa） Fragment：Ligand binding domain (residues 302-552)
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 0CZ 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；300 mM NaCl, 100 mM Hepes pH 7.75, 32% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.05 Å R-free 0.231
3UUC Crystal structure of hERa-LBD (wt) in complex with bisphenol-C Deposited 2011-11-28 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 302–552（251 aa） Fragment：Ligand binding domain (residues 302-552)
Chain B 302–552（251 aa） Fragment：Ligand binding domain (residues 302-552)
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) 0D1 4,4'-(2,2-dichloroethene-1,1-diyl)diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；200 mM MgCl2, 100 mM BisTris pH 5.5, 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.10 Å R-free 0.255
3UUC Crystal structure of hERa-LBD (wt) in complex with bisphenol-C Deposited 2011-11-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 302–552（251 aa） Fragment：Ligand binding domain (residues 302-552)
Chain D 302–552（251 aa） Fragment：Ligand binding domain (residues 302-552)
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) 0D1 4,4'-(2,2-dichloroethene-1,1-diyl)diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；200 mM MgCl2, 100 mM BisTris pH 5.5, 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.10 Å R-free 0.255
3UUD Crystal structure of hERa-LBD (Y537S) in complex with estradiol Deposited 2011-11-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 302–552（251 aa） Fragment：Ligand binding domain (residues 302-552)
Chain B 302–552（251 aa） Fragment：Ligand binding domain (residues 302-552)
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) EST ESTRADIOL × 2 GOL GLYCEROL × 3 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；200 mM Li2SO4, 100 mM Tris pH 8.5, 30% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.60 Å R-free 0.195
3UUD Crystal structure of hERa-LBD (Y537S) in complex with estradiol Deposited 2011-11-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 302–552（251 aa） Fragment：Ligand binding domain (residues 302-552)
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) EST ESTRADIOL × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；200 mM Li2SO4, 100 mM Tris pH 8.5, 30% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.60 Å R-free 0.195
3UUD Crystal structure of hERa-LBD (Y537S) in complex with estradiol Deposited 2011-11-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 302–552（251 aa） Fragment：Ligand binding domain (residues 302-552)
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) EST ESTRADIOL × 1 GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；200 mM Li2SO4, 100 mM Tris pH 8.5, 30% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.60 Å R-free 0.195
4AA6 The oestrogen receptor recognizes an imperfectly palindromic response element through an alternative side-chain conformation Deposited 2011-11-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric
Chain A 182–252（71 aa） Fragment：RESIDUES 182-252
Chain B 182–252（71 aa） Fragment：RESIDUES 182-252
Not recorded ZN ZINC ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions 20 MM MES PH 5.75, 1.8 MM SPERMINE, 2 MICROMOLAR ZINC CHLORIDE, 30 MM SODIUM CHLORIDE, 12 MM CALCIUM CHLORIDE, 10% MPD
Resolution 2.60 Å
4AA6 The oestrogen receptor recognizes an imperfectly palindromic response element through an alternative side-chain conformation Deposited 2011-11-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric
Chain E 182–252（71 aa） Fragment：RESIDUES 182-252
Chain F 182–252（71 aa） Fragment：RESIDUES 182-252
Not recorded ZN ZINC ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions 20 MM MES PH 5.75, 1.8 MM SPERMINE, 2 MICROMOLAR ZINC CHLORIDE, 30 MM SODIUM CHLORIDE, 12 MM CALCIUM CHLORIDE, 10% MPD
Resolution 2.60 Å
4DMA Crystal structure of ERa LBD in complex with RU100132 Deposited 2012-02-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 303–549（247 aa） Fragment：unp residues 303-549
Chain B 303–549（247 aa） Fragment：unp residues 303-549
Mutation：C530A Mutation：C530A 0L8 2'-bromo-6'-(furan-3-yl)-4'-(hydroxymethyl)biphenyl-4-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；297 K；20%(w/v) PEG 3350, 80 mM MgCl2, 100 mM Tris, VAPOR DIFFUSION, HANGING DROP, temperature 297K, pH 8.5
Resolution 2.30 Å R-free 0.251
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 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Mutation：Y537S 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 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Mutation：Y537S 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 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Chain B 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Chain B 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Chain B 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Chain B 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Mutation：Y537S Mutation：Y537S 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Mutation：Y537S 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 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Mutation：Y537S 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 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Chain B 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Chain B 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Chain B 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Chain B 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Chain B 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Chain B 303–549（247 aa） Fragment：Ligand-binding Domain, UNP residues 303-549
Mutation：Y537S Mutation：Y537S 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
4JC3 14-3-3 protein interaction with Estrogen Receptor Alpha provides a novel drug target interface Deposited 2013-02-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 585–595（11 aa） Fragment：UNP RESIDUES 585-595
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；0.095M HEPES Na, 0.19M calcium chloride, 5% glycerol, 26.6% PEG400, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.05 Å R-free 0.235
4JDD 14-3-3 protein interaction with Estrogen Receptor Alpha provides a novel drug target interface Deposited 2013-02-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 585–595（11 aa） Fragment：UNP RESIDUES 585-595
Non-standard monomer：Yes (specific site not provided by mmCIF) FSC FUSICOCCIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；0.095M HEPES Na, 0.19M calcium chloride, 5% glycerol, 26.6% PEG400, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.10 Å R-free 0.232
4MG5 Crystal structure of hERa-LBD (Y537S) in complex with chlordecone Deposited 2013-08-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 302–552（251 aa） Fragment：ligand binding domain (UNP residues 302-552)
Chain B 302–552（251 aa） Fragment：ligand binding domain (UNP residues 302-552)
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) GOL GLYCEROL × 3 A1AQV chlordecone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；340 mM sodium chloride, 100 mM HEPES, 32% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.05 Å R-free 0.228
4MG6 Crystal structure of hERa-LBD (Y537S) in complex with benzylbutylphtalate Deposited 2013-08-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 302–552（251 aa） Fragment：ligand binding domain (UNP residues 302-552)
Chain B 302–552（251 aa） Fragment：ligand binding domain (UNP residues 302-552)
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 27G benzyl butyl benzene-1,2-dicarboxylate × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；320 mM sodium chloride, 100 mM HEPES, 26% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.10 Å R-free 0.230
4MG7 Crystal structure of hERa-LBD (Y537S) in complex with ferutinine Deposited 2013-08-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 302–552（251 aa） Fragment：ligand binding domain (UNP residues 302-552)
Chain B 302–552（251 aa） Fragment：ligand binding domain (UNP residues 302-552)
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 27H ferutinine × 2 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；320 mM sodium chloride, 100 mM HEPES, 24% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.15 Å R-free 0.230
4MG8 Crystal structure of hERa-LBD (Y537S) in complex with alpha-zearalanol Deposited 2013-08-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 302–552（251 aa） Fragment：ligand binding domain (UNP residues 302-552)
Chain B 302–552（251 aa） Fragment：ligand binding domain (UNP residues 302-552)
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 27J alpha-zearalanol × 2 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；300 mM sodium chloride, 100 mM HEPES, 24% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.85 Å R-free 0.213
4MG9 Crystal structure of hERa-LBD (Y537S) in complex with butylparaben Deposited 2013-08-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 302–552（251 aa） Fragment：ligand binding domain (UNP residues 302-552)
Chain B 302–552（251 aa） Fragment：ligand binding domain (UNP residues 302-552)
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 27K butyl 4-hydroxybenzoate × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；300 mM sodium chloride, 100 mM HEPES, 28% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.00 Å R-free 0.237
4MGA Crystal structure of hERa-LBD (Y537S) in complex with 4-tert-octylphenol Deposited 2013-08-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 302–552（251 aa） Fragment：ligand binding domain (UNP residues 302-552)
Chain B 302–552（251 aa） Fragment：ligand binding domain (UNP residues 302-552)
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 27L 4-(2,4,4-trimethylpentan-2-yl)phenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；320 mM sodium chloride, 100 mM HEPES, 28% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.80 Å R-free 0.222
4MGB Crystal structure of hERa-LBD (Y537S) in complex with TCBPA Deposited 2013-08-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 302–552（251 aa） Fragment：ligand binding domain (UNP residues 302-552)
Chain B 302–552（251 aa） Fragment：ligand binding domain (UNP residues 302-552)
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) XDH 4,4'-propane-2,2-diylbis(2,6-dichlorophenol) × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；320 mM sodium chloride, 100 mM HEPES, 30% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.85 Å R-free 0.250
4MGC Crystal structure of hERa-LBD (Y537S) in complex with benzophenone-2 Deposited 2013-08-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 302–552（251 aa） Fragment：ligand binding domain (UNP residues 302-552)
Chain B 302–552（251 aa） Fragment：ligand binding domain (UNP residues 302-552)
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 27M bis(2,4-dihydroxyphenyl)methanone × 2 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；300 mM sodium chloride, 100 mM HEPES, 28% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.15 Å R-free 0.240
4MGD Crystal structure of hERa-LBD (Y537S) in complex with HPTE Deposited 2013-08-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 302–552（251 aa） Fragment：ligand binding domain (UNP residues 302-552)
Chain B 302–552（251 aa） Fragment：ligand binding domain (UNP residues 302-552)
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 27N 4,4'-(2,2,2-trichloroethane-1,1-diyl)diphenol × 2 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；340 mM sodium chloride, 100 mM HEPES, 24% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.90 Å R-free 0.234
4O6F Structural Basis of Estrogen Receptor Alpha Methylation Mediated by Histone Methyltransferase SmyD2 Deposited 2013-12-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 261–271（11 aa） Fragment：UNP residues 261-271
Not recorded ZN ZINC ION × 3 SAH S-ADENOSYL-L-HOMOCYSTEINE × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 NI NICKEL (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；20% polyethylene glycol 3350, 100 mM Tris pH 7.5, 5% ethanol, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.82 Å R-free 0.235
4PP6 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Resveratrol Deposited 2014-02-26 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 305–548（244 aa） Fragment：ligand-binding domain (UNP residues 305-548)
Chain B 305–548（244 aa） Fragment：ligand-binding domain (UNP residues 305-548)
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 305–548（244 aa） Fragment：ligand-binding domain (UNP residues 305-548)
Chain B 305–548（244 aa） Fragment：ligand-binding domain (UNP residues 305-548)
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 305–548（244 aa） Fragment：ligand-binding domain (UNP residues 305-548)
Chain B 305–548（244 aa） Fragment：ligand-binding domain (UNP residues 305-548)
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 299–554（256 aa） Fragment：D538G
Chain B 299–554（256 aa） Fragment：D538G
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
4Q13 Apo Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant with a glucocorticoid receptor-interacting protein 1 NR box II peptide Deposited 2014-04-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 299–554（256 aa） Fragment：D538G
Chain B 299–554（256 aa） Fragment：D538G
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298.15 K；30% PEG 3,350, 200 mM MgCl2, 100 mM Tris pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.15K
Resolution 2.24 Å R-free 0.249
4Q50 The Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant in Complex with 4-hydroxytamoxifen Deposited 2014-04-15 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 299–554（256 aa）
Chain F 299–554（256 aa）
Not recorded OHT 4-HYDROXYTAMOXIFEN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298.15 K；0.2 M Ammonium Sulfate, 10% glycerol, 100 mM Tris pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.15K
Resolution 3.07 Å R-free 0.283
4Q50 The Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant in Complex with 4-hydroxytamoxifen Deposited 2014-04-15 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 B 299–554（256 aa）
Chain E 299–554（256 aa）
Not recorded OHT 4-HYDROXYTAMOXIFEN × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298.15 K；0.2 M Ammonium Sulfate, 10% glycerol, 100 mM Tris pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.15K
Resolution 3.07 Å R-free 0.283
4Q50 The Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant in Complex with 4-hydroxytamoxifen Deposited 2014-04-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 299–554（256 aa）
Chain G 299–554（256 aa）
Not recorded OHT 4-HYDROXYTAMOXIFEN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298.15 K；0.2 M Ammonium Sulfate, 10% glycerol, 100 mM Tris pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.15K
Resolution 3.07 Å R-free 0.283
4Q50 The Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant in Complex with 4-hydroxytamoxifen Deposited 2014-04-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain D 299–554（256 aa）
Chain H 299–554（256 aa）
Not recorded OHT 4-HYDROXYTAMOXIFEN × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298.15 K；0.2 M Ammonium Sulfate, 10% glycerol, 100 mM Tris pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.15K
Resolution 3.07 Å R-free 0.283
4Q50 The Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant in Complex with 4-hydroxytamoxifen Deposited 2014-04-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric
Chain A 299–554（256 aa）
Chain B 299–554（256 aa）
Chain C 299–554（256 aa）
Chain D 299–554（256 aa）
Chain E 299–554（256 aa）
Chain F 299–554（256 aa）
Chain G 299–554（256 aa）
Chain H 299–554（256 aa）
Not recorded OHT 4-HYDROXYTAMOXIFEN × 8 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298.15 K；0.2 M Ammonium Sulfate, 10% glycerol, 100 mM Tris pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.15K
Resolution 3.07 Å R-free 0.283
4TUZ Crystal structure of hERa-LBD (Y537S) in complex with alpha-zearalenol Deposited 2014-06-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 302–552（251 aa） Fragment：Residues 302-552
Chain B 302–552（251 aa） Fragment：Residues 302-552
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 36J (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one × 2 GOL GLYCEROL × 4 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；300-340 mM NaCl 100 mM Hepes 24-32 % PEG 3350
Resolution 1.90 Å R-free 0.207
4TV1 Crystal structure of hERa-LBD (Y537S) in complex with propylparaben Deposited 2014-06-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: Tetrameric
Chain A 302–552（251 aa） Fragment：Residues 302-552
Chain B 302–552（251 aa） Fragment：Residues 302-552
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) 36M propyl 4-hydroxybenzoate × 2 GOL GLYCEROL × 5 EDO 1,2-ETHANEDIOL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；300-340 mM NaCl, 100 mM Hepes, 24-32 % PEG 3350
Resolution 1.85 Å R-free 0.202
4XI3 Estrogen Receptor Alpha Ligand Binding Domain in Complex with Bazedoxifene Deposited 2015-01-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 306–548（243 aa） Fragment：UNP residues 306-548, Ligand Binding Domain
Chain C 306–548（243 aa） Fragment：UNP residues 306-548, Ligand Binding Domain
Not recorded 29S Bazedoxifene × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；298 K；33% PEG 3,350, 100 mM Tris pH 6.6, 250 mM MgCl2
Resolution 2.49 Å R-free 0.268
4XI3 Estrogen Receptor Alpha Ligand Binding Domain in Complex with Bazedoxifene Deposited 2015-01-06 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 B 306–548（243 aa） Fragment：UNP residues 306-548, Ligand Binding Domain
Chain D 306–548（243 aa） Fragment：UNP residues 306-548, Ligand Binding Domain
Not recorded 29S Bazedoxifene × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；298 K；33% PEG 3,350, 100 mM Tris pH 6.6, 250 mM MgCl2
Resolution 2.49 Å R-free 0.268
4ZN7 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Diethylstilbestrol Deposited 2015-05-04 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 301–559（259 aa） Fragment：ligand-binding domain, UNP residues 301-559
Chain B 301–559（259 aa） Fragment：ligand-binding domain, UNP residues 301-559
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 301–559（259 aa） Fragment：ligand-binding domain, UNP residues 301-559
Chain B 301–559（259 aa） Fragment：ligand-binding domain, UNP residues 301-559
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 301–559（259 aa） Fragment：ligand-binding domain, UNP residues 301-559
Chain B 301–559（259 aa） Fragment：ligand-binding domain, UNP residues 301-559
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 301–559（259 aa） Fragment：ligand-binding domain, UNP residues 301-559
Chain B 301–559（259 aa） Fragment：ligand-binding domain, UNP residues 301-559
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 301–559（259 aa） Fragment：ligand-binding domain, UNP residues 301-559
Chain B 301–559（259 aa） Fragment：ligand-binding domain, UNP residues 301-559
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 301–559（259 aa） Fragment：ligand-binding domain, UNP residues 301-559
Chain B 301–559（259 aa） Fragment：ligand-binding domain, UNP residues 301-559
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 301–559（259 aa） Fragment：ligand-binding domain, UNP residues 301-559
Chain B 301–559（259 aa） Fragment：ligand-binding domain, UNP residues 301-559
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 301–559（259 aa） Fragment：ligand-binding domain, UNP residues 301-559
Chain B 301–559（259 aa） Fragment：ligand-binding domain, UNP residues 301-559
Mutation：Y537S Mutation：Y537S 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
5AAU Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist Deposited 2015-07-28 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 307–554（248 aa） Fragment：LIGAND-BINDING DOMAIN, UNP RESIDUES 307-554
Chain B 307–554（248 aa） Fragment：LIGAND-BINDING DOMAIN, UNP RESIDUES 307-554
Mutation：YES Mutation：YES XBR 3-(1-(4-Chlorophenyl)-3,4-dihydro-1H-pyrido(3,4-b)indol-2(9H)-yl)propanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；0.1 M PCTP, PH 6.5 (0.04 M SODIUM PROPIONATE, 0.02 M SODIUM CACODYLATE, 0.04 M BIS-TRIS PROPANE), 22% PEG3350, 0.2M MGCL2
Resolution 1.90 Å R-free 0.226
5AAV Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist Deposited 2015-07-29 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 307–554（248 aa） Fragment：LIGAND-BINDING DOMAIN
Chain B 306–554（249 aa） Fragment：LIGAND-BINDING DOMAIN
Mutation：YES Mutation：YES GW5 (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；0.1 M PCTP, PH 6.5 (0.04 M SODIUM PROPIONATE, 0.02 M SODIUM CACODYLATE, 0.04 M BIS-TRIS PROPANE), 22% PEG3350, 0.2M MGCL2
Resolution 1.95 Å R-free 0.234
5ACC A Novel Oral Selective Estrogen Receptor Down-regulator, AZD9496, drives Tumour Growth Inhibition in Estrogen Receptor positive and ESR1 Mutant Models Deposited 2015-08-15 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 307–554（248 aa） Fragment：LIGAND-BINDING DOMAIN, UNP RESIDUES 307-554
Mutation：YES KE9 (E)-3-(3,5-DIFLUORO-4-((1R,3R)-2-(2-FLUORO-2- METHYLPROPYL)-3-METHYL-2,3,4,9-TETRAHYDRO-1H-PYRIDO(3,4-B)INDOL-1-YL)PHENYL)ACRYLIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；0.1 M PCTP, PH 6.5 (0.04 M SODIUM PROPIONATE, 0.02 M SODIUM CACODYLATE, 0.04 M BIS-TRIS PROPANE), 22% PEG3350, 0.2M MGCL2
Resolution 1.88 Å R-free 0.266
5AK2 Oxyphenylpropenoic acids as Oral Selective Estrogen Receptor Down- Regulators. Deposited 2015-02-27 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 307–554（248 aa） Fragment：LIGAND BINDING DOMAIN, RESIDUES 307-554
Chain B 307–554（248 aa） Fragment：LIGAND BINDING DOMAIN, RESIDUES 307-554
Mutation：YES Mutation：YES 85Z (E)-3-[4-[[3-(4-fluoranyl-2-methyl-phenyl)-7-oxidanyl-2-oxidanylidene-chromen-4-yl]methyl]phenyl]prop-2-enoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions OF 0.1 M PCTP, PH 6.5 (0.04 M SODIUM PROPIONATE, 0.02 M SODIUM CACODYLATE, 0.04 M BIS-TRIS PROPANE), 22% PEG3350, 0.2M MGCL2
Resolution 2.19 Å R-free 0.262
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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa）
Chain B 298–554（257 aa）
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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
5DKE Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 3-naphthyl-substituted, methyl, cis-diaryl-ethylene compound 4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol Deposited 2015-09-03 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 5C8 4,4'-[2-(naphthalen-2-yl)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 2.60 Å R-free 0.263
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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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
5DP0 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 4-fluorophenylamino-substituted triaryl-ethylene derivative 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol Deposited 2015-09-11 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa）
Chain B 298–554（257 aa）
Mutation：Y537S Mutation：Y537S 5ES 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-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 2.38 Å R-free 0.238
5DRJ Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dichloro-substituted, 3-methyl 2,5-diarylthiophene-core ligand 4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol) Deposited 2015-09-15 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa）
Chain B 298–554（257 aa）
Mutation：Y537S Mutation：Y537S 5EU 4,4'-(3-methylthiene-2,5-diyl)bis(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 2.07 Å R-free 0.222
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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa）
Chain B 298–554（257 aa）
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa）
Chain B 298–554（257 aa）
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa）
Chain B 298–554（257 aa）
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 297–554（258 aa）
Chain B 297–554（258 aa）
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 297–554（258 aa）
Chain B 124–381（258 aa）
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 297–554（258 aa）
Chain B 297–554（258 aa）
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S 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
5DXG Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-P5 Deposited 2015-09-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 297–554（258 aa）
Chain B 297–554（258 aa）
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) EST ESTRADIOL × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；25% PEG 3,350, 200 mM MgCl2, 100 mM Tris pH 8.0
Resolution 1.86 Å R-free 0.200
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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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
5DYD Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(methylsulfanyl)cyclohexylidene]methanediyl}diphenol Deposited 2015-09-24 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 5K1 4,4'-{[(3S)-3-(methylsulfanyl)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 2.48 Å R-free 0.256
5DZ0 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(4-methylcyclohexylidene)methanediyl]diphenol Deposited 2015-09-25 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 5K0 4,4'-[(4-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 2.24 Å R-free 0.232
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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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
5E15 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol Deposited 2015-09-29 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 5KA 4,4'-({4-[2-(4-fluorobutoxy)ethyl]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 2.10 Å R-free 0.241
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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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
5EGV Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex the 3,4-diaryl-furan derivative 3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol Deposited 2015-10-27 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 5OS 3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]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 2.86 Å R-free 0.276
5EHJ Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(4aR,8aR)-octahydronaphthalen-2(1H)-ylidenemethanediyl]diphenol Deposited 2015-10-28 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa）
Chain B 298–554（257 aa）
Mutation：Y537S Mutation：Y537S 5K5 4,4'-[(4aR,8aR)-octahydronaphthalen-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 2.50 Å R-free 0.254
5EI1 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the imidazopyridine derivative 2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol Deposited 2015-10-29 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 5OR 2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-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 2.40 Å R-free 0.228
5EIT Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the imidazopyridine derivative 2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol Deposited 2015-10-30 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 5P1 2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-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 2.68 Å R-free 0.238
5FQP Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 1. Deposited 2015-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 307–554（248 aa） Fragment：LIGAND-BINDING DOMAIN, UNP 307-554
Mutation：YES GQD (E)-3-[4-[(1R,3R)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions 0.1 M PCTP, PH 6.5 (0.04 M SODIUM PROPIONATE, 0.02 M SODIUM CACODYLATE, 0.04 M BIS-TRIS PROPANE), 22% PEG3350, 0.2M MGCL2
Resolution 1.88 Å R-free 0.231
5FQR Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 2. Deposited 2015-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 307–554（248 aa） Fragment：LIGAND-BINDING DOMAIN, UNP RESIDUES 307-554
Mutation：YES QHG (E)-3-[4-[(1R)-6-HYDROXY-2-ISOBUTYL-3,4-DIHYDRO-1H-ISOQUINOLIN-1-YL]PHENYL]PROP-2-ENOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions 0.1 M PCTP, PH 6.5 (0.04 M SODIUM PROPIONATE, 0.02 M SODIUM CACODYLATE, 0.04 M BIS-TRIS PROPANE), 22% PEG3350, 0.2M MGCL2
Resolution 1.88 Å R-free 0.237
5FQS Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 3. Deposited 2015-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 307–554（248 aa） Fragment：LIGAND-BINDING DOMAIN, UNP RESIDUES 307-554
Mutation：YES J0W (E)-3-[4-(6-HYDROXY-2-ISOBUTYL-1-METHYL-3,4-DIHYDROISOQUINOLIN-1-YL)PHENYL]PROP-2-ENOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions 0.1 M PCTP, PH 6.5 (0.04 M SODIUM PROPIONATE, 0.02 M SODIUM CACODYLATE, 0.04 M BIS-TRIS PROPANE), 22% PEG3350, 0.2M MGCL2
Resolution 1.94 Å R-free 0.223
5FQT Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 4. Deposited 2015-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 307–554（248 aa） Fragment：LIGAND-BINDING DOMAIN, UNP RESIDUES 307-554
Mutation：YES 7QN (E)-3-[4-(6-hydroxy-2-isobutyl-5-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions 0.1 M PCTP, PH 6.5 (0.04 M SODIUM PROPIONATE, 0.02 M SODIUM CACODYLATE, 0.04 M BIS-TRIS PROPANE), 22% PEG3350, 0.2M MGCL2
Resolution 1.99 Å R-free 0.232
5FQV Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 5. Deposited 2015-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 307–554（248 aa） Fragment：LIGAND-BINDING DOMAIN, UNP RESIDUES 307-554
Mutation：YES VQI (E)-3-[4-(6-hydroxy-2-isobutyl-7-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions 0.1 M PCTP, PH 6.5 (0.04 M SODIUM PROPIONATE, 0.02 M SODIUM CACODYLATE, 0.04 M BIS-TRIS PROPANE), 22% PEG3350, 0.2M MGCL2
Resolution 1.74 Å R-free 0.234
5GS4 Crystal structure of estrogen receptor alpha in complex with a stabilized peptide antagonist Deposited 2016-08-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 305–547（243 aa） Fragment：UNP residues 305-547
Not recorded PO4 PHOSPHATE ION × 2 EST ESTRADIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；0.1 M Sodium citrate tribasic dihydrate, 1.0 M Ammonium phosphate monobasic
Resolution 2.40 Å R-free 0.281
5GTR estrogen receptor alpha in complex with a stabilized peptide antagonist 6 Deposited 2016-08-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 305–547（243 aa） Fragment：UNP residues 305-547
Not recorded EST ESTRADIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.2 M Magnesium acetate tetrahydrate, 0.1 M Sodium cacodylate trihydrate, 20% w/v Polyethylene glycol 8000
Resolution 2.80 Å R-free 0.367
5HYR Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-SP2 and Estradiol Deposited 2016-02-01 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 129–386（258 aa） Fragment：UNP Residues 302-559
Chain B 129–386（258 aa） Fragment：UNP Residues 302-559
Mutation：Y537S Mutation：Y537S EST ESTRADIOL × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293.15 K；PEG 3,350, MgCl2, Tris pH 8.0
Resolution 2.27 Å R-free 0.252
5JMM Crystal structure of hERa-LBD (Y537S) in complex with biochanin A Deposited 2016-04-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 302–552（251 aa）
Chain B 302–552（251 aa）
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) QSO 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one × 2 GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.75；291 K；250 mM NaCl 100 mM Hepes 16% PEG3350 5% DMSO 10 mM b-mercaptoethanol
Resolution 2.10 Å R-free 0.216
5KCC Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Oxabicyclic Heptene Sulfonamide (OBHS-N) Deposited 2016-06-06 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S OB1 (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 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 2.39 Å R-free 0.265
5KCD Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl Substituted OBHS-N derivative Deposited 2016-06-06 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S OB2 (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-methyl-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 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 1.82 Å R-free 0.205
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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Chain B 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Mutation：Y537S Mutation：Y537S 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
5KCF Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, 4-methoxybenzyl OBHS-N derivative Deposited 2016-06-06 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S OB5 (1R,2S,4R)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 1 OB4 (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 1 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 2.07 Å R-free 0.236
5KCT Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, 4-chlorobenzyl OBHS-N derivative Deposited 2016-06-07 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S OB7 (1R,2S,4R)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 1 OB6 (1S,2R,4S)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 1 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 1.60 Å R-free 0.212
5KCU Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, alpha-naphthyl OBHS-N derivative Deposited 2016-06-07 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S OB8 (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(naphthalen-2-yl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 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 0.252
5KCW Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-trifluoroethyl OBHS-N derivative Deposited 2016-06-07 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S OB9 (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-N-(2,2,2-trifluoroethyl)-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 1.91 Å R-free 0.245
5KD9 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-trifluoroethyl 4-chlorobenzyl OBHS-N derivative Deposited 2016-06-07 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S OBT (1S,2R,4S)-N-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 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 1.78 Å R-free 0.213
5KR9 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Coumestrol Deposited 2016-07-07 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S CUE Coumestrol × 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 0.251
5KRC Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Zearalenone Deposited 2016-07-07 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S ZER (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-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 2.40 Å R-free 0.235
5KRF Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Dynamic WAY derivative, 1a Deposited 2016-07-07 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 6WL 4-[1-methyl-7-(trifluoromethyl)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 MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.19 Å R-free 0.266
5KRH Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 16-benzylidene estrone Deposited 2016-07-07 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 6WN (8~{R},9~{S},13~{S},14~{S},16~{E})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[ a]phenanthren-17-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 2.24 Å R-free 0.243
5KRI Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 16b-benzyl 17b-estradiol Deposited 2016-07-07 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 6WM (8~{R},9~{S},13~{S},14~{S},16~{R},17~{S})-13-methyl-16-(phenylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-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 2.25 Å R-free 0.220
5KRJ Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an a-naphthyl Substituted OBHS derivative Deposited 2016-07-07 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 6WP naphthalen-1-yl (1~{S},2~{R},4~{S})-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 2.70 Å R-free 0.235
5KRK Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-((5-bromo-2,3-dihydro-1H-inden-1-ylidene)methylene)diphenol Deposited 2016-07-07 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 6WQ 4-[(5-bromanyl-2,3-dihydroinden-1-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 2.39 Å R-free 0.232
5KRL Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the A-CD ring estrogen, (1S,7aS)-5-(2-chloro-4-hydroxyphenyl)-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol Deposited 2016-07-07 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 6WR (1~{S},3~{a}~{R},7~{a}~{S})-5-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,7,7~{a}-hexahydro-1~{H}-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 2.40 Å R-free 0.218
5KRM Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the A-CD ring estrogen, (1S,7aS)-5-(2,5-difluoro-4-hydroxyphenyl)-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol Deposited 2016-07-07 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 6WU (1~{S},3~{a}~{R},7~{a}~{S})-5-[2,5-bis(fluoranyl)-4-oxidanyl-phenyl]-7~{a}-methyl-1,2,3,3~{a},4,7-hexahydroinden-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
5KRO Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Methyl(phenyl)amino-substituted Estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(methyl(phenyl)amino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol Deposited 2016-07-07 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 6WW (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-[methyl(phenyl)amino]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-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 2.10 Å R-free 0.228
5N10 Cucurbit[8]uril and 14-3-3 based binary bivalent supramolecular-protein assembly platform Deposited 2017-02-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain C 584–595（12 aa） Fragment：UNP residues 584-595
Chain D 584–595（12 aa） Fragment：UNP residues 584-595
Chain F 584–595（12 aa） Fragment：UNP residues 584-595
Mutation：T593TPO Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：T593TPO Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：T593TPO Non-standard monomer：Yes (specific site not provided by mmCIF) GOL GLYCEROL × 1 C8L Cucurbit[8]uril × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277.15 K；PEG 1500, sodium citrate
Resolution 1.60 Å R-free 0.194
5T0X Solution NMR-derived structure of calmodulin bound with ER alpha peptides Deposited 2016-08-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 287–305（19 aa） Fragment：UNP residues 287-305
Chain C 287–305（19 aa） Fragment：UNP residues 287-305
Not recorded CA CALCIUM ION × 4 SOLUTION NMR
NMR measurement conditions pH 7；310 K；Ionic strength (raw mmCIF value) 50；Pressure 1
NMR sample composition 1 mM [U-99% 15N] 15N-labeled CaM/ERalpha | 90% H2O/10% D2O
NMR sample composition 1 mM [U-99% 13C; U-99% 15N] 13C/15N-CaM/ERalpha | 90% H2O/10% D2O
NMR sample composition 1 mM [U-99% 13C; U-99% 15N] 13C/15N-CaM/ERalpha | 100% D2O
Resolution not provided
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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 305–554（250 aa）
Chain B 305–554（250 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
5T92 ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methy l-1,2,3,4- tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid Deposited 2016-09-09 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 301–553（253 aa） Fragment：residues 301-553
Chain B 301–553（253 aa） Fragment：residues 301-553
Not recorded 77W (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.2 M Magnesium Chloride hexahydrate, 0.1 M Tris-HCl pH 8.5, 21% PEG 3350
Resolution 2.22 Å R-free 0.282
5T97 ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2 -yl)phenyl]-1,2,3,4- tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid Deposited 2016-09-09 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 301–553（253 aa） Fragment：residues 301-553
Chain B 301–553（253 aa） Fragment：residues 301-553
Not recorded 782 (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；25% PEG 3350, 0.3 M Magnesium Chloride
Resolution 3.00 Å R-free 0.291
5TLD Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the phenylamino-substituted estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(phenylamino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol Deposited 2016-10-11 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 6WV (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-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 2.38 Å R-free 0.237
5TLF Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Constrained WAY Derivative, 4-(2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl)benzene-1,3-diol Deposited 2016-10-11 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 7EF 4-[2-(3-methylbut-2-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 MgCl2, 0.067M NaCl, 0.1M Tris
Resolution 2.20 Å R-free 0.229
5TLG Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-4,4''-dihydroxy-3'-((hydroxyiminio)methyl)-[1,1':2',1''-terphenyl]-4'-olate Deposited 2016-10-11 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 7EG 2~3~-[(E)-(hydroxyimino)methyl][1~1~,2~1~:2~2~,3~1~-terphenyl]-1~4~,2~4~,3~4~-triol × 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 0.230
5TLL Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-2-chloro-4'-hydroxy-4-((hydroxyiminio)methyl)-[1,1'-biphenyl]-3-olate Deposited 2016-10-11 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 7EL 2-chloro-4-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-3,4'-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 2.42 Å R-free 0.238
5TLM Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4',4''-(thiophene-2,3,5-triyl)triphenol Deposited 2016-10-11 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 7EM 4,4',4''-(thiene-2,3,5-triyl)triphenol × 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 0.277
5TLO Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with a Squaric Acid-linked Dimeric Estrogen Deposited 2016-10-11 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 7EE (14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-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 2.28 Å R-free 0.241
5TLP Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-BSC Analog, 3-fluorophenyl (1R,2R,4S)-5-(4-hydroxyphenyl)-6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate and 3-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-amine Deposited 2016-10-11 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 7EH 3-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-amine × 1 7ET 3-fluorophenyl (1S,2R,4S)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 1 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 2.08 Å R-free 0.232
5TLT Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with octane-1,8-diyl bis(2,3-bis(4-hydroxyphenyl)pentanoate) Deposited 2016-10-12 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 7ED 8-{[2,3-bis(4-hydroxyphenyl)pentanoyl]oxy}octyl (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoate × 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 0.221
5TLU Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the PEG-linked Dimeric Estrogen, EE2-(eg)6-EE2-amine Deposited 2016-10-12 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 7EE (14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-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 2.22 Å R-free 0.223
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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Chain B 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Chain B 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain, UNP RESIDUES 125-381
Chain B 125–381（257 aa） Fragment：ligand-binding domain, UNP RESIDUES 125-381
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Chain B 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Chain B 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Chain B 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Chain B 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Chain B 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain
Chain B 125–381（257 aa） Fragment：ligand-binding domain
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Chain B 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Chain B 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Chain B 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Chain B 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Chain B 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Chain B 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Chain B 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Chain B 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Chain B 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Chain B 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Chain B 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Chain B 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Chain B 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Chain B 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Chain B 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Chain B 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Chain B 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Chain B 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Chain B 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Chain B 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Mutation：Y537S Mutation：Y537S 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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Chain B 298–554（257 aa） Fragment：ligand-binding domain (UNP residues 298-554)
Mutation：Y537S Mutation：Y537S 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
5TN9 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S,L536S) in Complex with the OBHS-BSC, 4-bromophenyl (1R,2R,4S)-5-(4-hydroxyphenyl)-6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-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 homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：L372S, L536S Mutation：L372S, L536S 7EC 4-bromophenyl (1S,2R,4S)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.25 Å R-free 0.238
5TN9 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S,L536S) in Complex with the OBHS-BSC, 4-bromophenyl (1R,2R,4S)-5-(4-hydroxyphenyl)-6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-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 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 298–554（257 aa） Fragment：ligand-binding domain
Chain D 298–554（257 aa） Fragment：ligand-binding domain
Mutation：L372S, L536S Mutation：L372S, L536S 7EC 4-bromophenyl (1S,2R,4S)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.25 Å R-free 0.238
5TNB Crystal Structure of the ER-alpha Ligand-binding Domain (L372S,L536S) in Complex with the OBHS-BSC, 4-bromophenyl (1R,2R,4S)-6-(4-(2-(dimethylamino)ethoxy)phenyl)-5-(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 homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 298–554（257 aa） Fragment：ligand-binding domain
Chain B 298–554（257 aa） Fragment：ligand-binding domain
Mutation：L372S, L536S Mutation：L372S, L536S 7EB 4-bromophenyl (1S,2R,4S)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(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；298 K；pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.08 Å R-free 0.218
5TNB Crystal Structure of the ER-alpha Ligand-binding Domain (L372S,L536S) in Complex with the OBHS-BSC, 4-bromophenyl (1R,2R,4S)-6-(4-(2-(dimethylamino)ethoxy)phenyl)-5-(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 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 298–554（257 aa） Fragment：ligand-binding domain
Chain D 298–554（257 aa） Fragment：ligand-binding domain
Mutation：L372S, L536S Mutation：L372S, L536S 7EB 4-bromophenyl (1S,2R,4S)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(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；298 K；pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.08 Å R-free 0.218
5U2B Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the phenylamino-substituted estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(phenylamino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol, without a coactivator peptide Deposited 2016-11-30 Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Chain B 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Mutation：Y537S Mutation：Y537S 6WV (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-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 2.22 Å R-free 0.229
5U2B Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the phenylamino-substituted estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(phenylamino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol, without a coactivator peptide Deposited 2016-11-30 Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Chain D 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Mutation：Y537S Mutation：Y537S 6WV (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-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 2.22 Å R-free 0.229
5U2B Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the phenylamino-substituted estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(phenylamino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol, without a coactivator peptide Deposited 2016-11-30 Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Chain F 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Mutation：Y537S Mutation：Y537S 6WV (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-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 2.22 Å R-free 0.229
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 ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Chain B 125–381（257 aa） Fragment：ligand-binding domain, UNP residues 125-381
Mutation：Y537S Mutation：Y537S 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
5UFW Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1154 Deposited 2017-01-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 306–554（249 aa）
Chain B 306–554（249 aa）
Mutation：C381S, C417S, C530S, L536S Mutation：C381S, C417S, C530S, L536S 86V (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298.15 K；20% PEG 3,350, Tris pH 7.5, and 200 mM MgCl2
Resolution 1.58 Å R-free 0.210
5UFX Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1074 Deposited 2017-01-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 306–554（249 aa）
Chain B 306–554（249 aa）
Mutation：C381S, C417S, C530S, L536S Mutation：C381S, C417S, C530S, L536S 86Y (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298.15 K；10% PEG 3,350, Bis-Tris pH 6.2, 200 mM MgCl2
Resolution 1.55 Å R-free 0.230
5W9C Estrogen Receptor Alpha Ligand Binding Domain C381S, C417S, C530S in Complex with 4-hydroxytamoxifen Deposited 2017-06-23 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 307–554（248 aa）
Chain B 307–554（248 aa）
Mutation：C381S, C417S, C530S Mutation：C381S, C417S, C530S OHT 4-HYDROXYTAMOXIFEN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 8K, pH 6.5
Resolution 1.80 Å R-free 0.242
5W9C Estrogen Receptor Alpha Ligand Binding Domain C381S, C417S, C530S in Complex with 4-hydroxytamoxifen Deposited 2017-06-23 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 C 307–554（248 aa）
Chain D 307–554（248 aa）
Mutation：C381S, C417S, C530S Mutation：C381S, C417S, C530S OHT 4-HYDROXYTAMOXIFEN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 8K, pH 6.5
Resolution 1.80 Å R-free 0.242
5W9D Estrogen Receptor Alpha Ligand Binding Domain C381S, C417S, C530S Mutant in Complex with Endoxifen Deposited 2017-06-23 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 306–554（249 aa）
Chain B 306–554（249 aa）
Not recorded 9XY Endoxifen × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 8,000, Magnesium Chloride, Tris pH 8.0
Resolution 1.65 Å R-free 0.195
5WGD Estrogen Receptor Alpha Ligand Binding Domain in Complex with Estradiol and SRC2-LP1 Deposited 2017-07-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 124–381（258 aa）
Chain B 124–381（258 aa）
Mutation：Y364S Mutation：Y364S EST ESTRADIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298.15 K；PEG 3,350, MgCl2, Tris pH 8.5
Resolution 1.80 Å R-free 0.208
5WGQ Estrogen Receptor Alpha Ligand Binding Domain in Complex with Estradiol and SRC2-BCP1 Deposited 2017-07-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 124–381（258 aa）
Chain B 124–381（258 aa）
Mutation：Y364S Mutation：Y364S EST ESTRADIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298.15 K；PEG 3,350, Tris pH 8.5, MgCl2
Resolution 2.30 Å R-free 0.257
6B0F ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH LSZ102 Deposited 2017-09-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 301–553（253 aa） Fragment：residues 301-553
Chain B 301–553（253 aa） Fragment：residues 301-553
Mutation：C381S, C417S, C530S Mutation：C381S, C417S, C530S C6V LSZ102 × 2 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；0.1 M TRIS-HCL (PH 8.5), 22% PEG 3350, 0.20 M MAGNESIUM CHLORIDE
Resolution 2.86 Å R-free 0.299
6C42 Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1156 Deposited 2018-01-11 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 306–554（249 aa）
Chain B 306–554（249 aa）
Mutation：C381S, C417S, C530S, L536S Mutation：C381S, C417S, C530S, L536S 85M (2R,3S,4R)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydro-2H-1-benzopyran-7-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298.15 K；15% PEG 3,350, HEPES pH 6.5, 200 mM MgCl2
Resolution 2.00 Å R-free 0.268
6CBZ Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Estradiol and GRIP Peptide Deposited 2018-02-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 305–554（250 aa）
Chain B 305–554（250 aa）
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) EST ESTRADIOL × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298.15 K；20% PEG3350, 100 mM MgCl2, Tris pH 8.0
Resolution 1.65 Å R-free 0.213
6CHW Estrogen Receptor Alpha Y537S covalently bound to antagonist H3B-5942. Deposited 2018-02-23 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 306–551（246 aa）
Mutation：C381S, C417S, Y537S F3D 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide × 2 EDO 1,2-ETHANEDIOL × 6 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；6-12% PEG 3350, 50-150 mM MgCL2, 0.1 M imidazole pH 7.1
Resolution 1.89 Å R-free 0.257
6CHZ Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224. Deposited 2018-02-23 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 307–554（248 aa）
Mutation：C381S, C417S, Y537S F3D 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide × 2 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；6-12% PEG 3350, 50-150 mM MgCl2, 0.1 M imidazole pH 7.1
Resolution 1.68 Å R-free 0.262
6CZN Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Z2OHTPE and a glucocorticoid receptor-interacting protein 1 NR box II peptide Deposited 2018-04-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 125–381（257 aa）
Chain B 125–381（257 aa）
Mutation：Y537S Mutation：Y537S FNJ 4,4'-[(1R,2R)-1-phenylbutane-1,2-diyl]diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；25% PEG 3,350, 200 mM MgCl2, Tris pH 8.0
Resolution 2.50 Å R-free 0.238
6D0F Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 3OHTPE and GRIP Peptide Deposited 2018-04-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 305–554（250 aa）
Chain B 305–554（250 aa）
Mutation：Y537S Mutation：Y537S FYS 4,4',4''-[(2R)-butane-1,1,2-triyl]triphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；25% PEG 3,350, Tris pH 8.0, 200 mM MgCl2
Resolution 2.50 Å R-free 0.241
6DF6 Crystal structure of estrogen receptor alpha in complex with receptor degrader 16ab Deposited 2018-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 298–553（256 aa）
Chain B 298–553（256 aa）
Not recorded G8Y (8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；292 K；grid of PEG 3350 vs. MgCl2 with a buffer of Bis-TRIS at pH 6-6.5
Resolution 2.50 Å R-free 0.273
6DF6 Crystal structure of estrogen receptor alpha in complex with receptor degrader 16ab Deposited 2018-05-14 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 C 298–553（256 aa）
Chain D 298–553（256 aa）
Not recorded G8Y (8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；292 K；grid of PEG 3350 vs. MgCl2 with a buffer of Bis-TRIS at pH 6-6.5
Resolution 2.50 Å R-free 0.273
6DFN Crystal structure of estrogen receptor alpha in complex with receptor degrader 16aa Deposited 2018-05-15 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 298–553（256 aa）
Chain B 298–553（256 aa）
Not recorded G9J (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol × 2 NI NICKEL (II) ION × 1 G91 (8S)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；292 K；Grid of PEG 3350 vs. MgCl2 with a buffer of Bis-TRIS at pH 6-6.5
Resolution 2.10 Å R-free 0.265
6DFN Crystal structure of estrogen receptor alpha in complex with receptor degrader 16aa Deposited 2018-05-15 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 C 298–553（256 aa）
Chain D 298–553（256 aa）
Not recorded G9J (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol × 2 G91 (8S)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；292 K；Grid of PEG 3350 vs. MgCl2 with a buffer of Bis-TRIS at pH 6-6.5
Resolution 2.10 Å R-free 0.265
6HHP Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 1 Deposited 2018-08-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 588–595（8 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 G4Z (1~{R})-2-(4-chloranylphenoxy)-2-methyl-1-[methyl(2-sulfanylethyl)amino]propan-1-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；278 K；0.095M Hepes, 0.19M CaCl2, 5% glycerol, 26% PEG 400
Resolution 1.80 Å R-free 0.215
6HKB Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 3 Deposited 2018-09-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 588–595（8 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 G8Q (1~{R},2~{S})-2-[methyl-[(~{R})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；278 K；0.095M Hepes, 0.19M CaCl2, 5% glycerol, 26% PEG400
Resolution 1.70 Å R-free 0.200
6HKF Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 4 Deposited 2018-09-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 588–595（8 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 G8T (1~{S})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；278 K；0.095M Hepes, 0.19M CaCl2, 5% glycerol, 26% PEG 400
Resolution 1.80 Å R-free 0.211
6HMU Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C45 mutant bound to disulfide fragment PPI stabilizer 6 Deposited 2018-09-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 588–595（8 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 GE8 2-(4-chloranylphenoxy)-2-methyl-~{N}-(3-sulfanylpropyl)propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；278 K；0.095M Hepes, 0.19M CaCl2, 5% glycerol, 26% PEG 400
Resolution 1.20 Å R-free 0.206
6IAR Tricyclic indazoles a novel class of selective estrogen receptor degrader antagonists Deposited 2018-11-27 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 307–547（241 aa）
Not recorded H8W 3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；#61 WELL D5: 12% PEG 3350, 0.16M MGCL2, 0.08M PCTP PH6.5, 0.2M LICL
Resolution 1.84 Å R-free 0.239
6OWC Mutant estrogen receptor alpha (ERa) Y537S covalently bound to H3B-6545. Deposited 2019-05-09 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 298–554（257 aa）
Chain B 298–554（257 aa）
Mutation：Y537S, C147S Mutation：Y537S, C147S ND1 (2Z)-N,N-dimethyl-4-{[2-({5-[(1Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40% PEG 1000, 60 mM NaCl, 0.1 M TAPS pH 9.0
Resolution 1.85 Å R-free 0.226
6PET Crystal structure of 8-hydroxychromene compound 30 bound to estrogen receptor alpha Deposited 2019-06-20 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 298–553（256 aa）
Chain D 298–553（256 aa）
Not recorded G9J (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol × 1 ODY (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；295 K；25-35% PEG 3,350 0.1 M Bis-Tris (pH 6.1-6.5) 150-300 mM MgCl2
Resolution 2.20 Å R-free 0.232
6PET Crystal structure of 8-hydroxychromene compound 30 bound to estrogen receptor alpha Deposited 2019-06-20 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 B 298–553（256 aa）
Chain C 298–553（256 aa）
Not recorded G9J (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol × 1 ODY (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；295 K；25-35% PEG 3,350 0.1 M Bis-Tris (pH 6.1-6.5) 150-300 mM MgCl2
Resolution 2.20 Å R-free 0.232
6PFM Crystal structure of GDC-0927 bound to estrogen receptor alpha Deposited 2019-06-21 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 298–553（256 aa）
Chain D 298–553（256 aa）
Mutation：L372S, L536S Mutation：L372S, L536S OGJ (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；25-35% PEG 3,350 0.1 M Bis-Tris (pH 6.1-6.5) 150-300 mM MgCl2
Resolution 2.84 Å R-free 0.249
6PIT Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with SRC2 Stapled Peptide 41A and Estradiol Deposited 2019-06-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 297–554（258 aa）
Chain B 297–554（258 aa）
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) EST ESTRADIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298.15 K；20 mM Tris pH 8.0, 15% PEG 3,350, 200 mM MgCl2
Resolution 2.25 Å R-free 0.247
6PSJ Bazedoxifene in Complex with Y537S Estrogen Receptor Alpha Ligand Binding Domain Deposited 2019-07-12 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 307–554（248 aa）
Chain B 307–554（248 aa）
Mutation：C381S, C417S, C530S Mutation：C381S, C417S, C530S 29S Bazedoxifene × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG 8000, magnesium chloride
Resolution 1.80 Å R-free 0.215
6SBO Estrogen receptor mutant L536S Deposited 2019-07-22 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 124–381（258 aa）
Chain B 124–381（258 aa）
Mutation：L536S Mutation：L536S L5B 6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；22% PEG4000, NaCacodylate 0.1M pH 6.5, MgCl2 200mM
Resolution 1.48 Å R-free 0.212
6SQ0 ERa_L536S (L536S/C381S/C471S,C530S) in complex with a bridged tetracyclic indole (compound 8) Deposited 2019-09-03 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 307–554（248 aa）
Chain B 307–554（248 aa）
Not recorded LRQ Bridged tetracyclic indole × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG3350, magnesium chloride
Resolution 1.77 Å R-free 0.198
6SUO ERa_L536S (L536S/C381S/C471S,C530S) in complex with a tricyclic indole (compound 6) Deposited 2019-09-16 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 307–554（248 aa）
Chain B 307–554（248 aa）
Not recorded LVH (~{E})-3-[3,5-bis(fluoranyl)-4-[(1~{R},3~{R})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350, magnesium chloride
Resolution 1.74 Å R-free 0.244
6TL3 Crystal structure of an Estrogen Receptor alpha 8-mer phosphopeptide in complex with 14-3-3sigma stabilized by a Pyrrolidone1 derivative Deposited 2019-11-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 588–595（8 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) NJW 5-[(2~{S},3~{R})-3-[(~{R})-azanyl(phenyl)methyl]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；0.2 M Magnesium chloride hexahydrate, 0.1 M Tris, pH 7.0, 10 % v/v PEG 8000
Resolution 2.46 Å R-free 0.259
6V87 Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-Hydroxytamoxifen Deposited 2019-12-10 Different construct 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 307–554（248 aa）
Chain B 307–554（248 aa）
Mutation：Y537S Mutation：Y537S OHT 4-HYDROXYTAMOXIFEN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG 3,350, MgCl2, Tris
Resolution 2.40 Å R-free 0.271
6V8T Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102 Deposited 2019-12-12 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 307–554（248 aa）
Chain B 307–554（248 aa）
Not recorded C6V LSZ102 × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；PEG 8000, TRIS pH 7.0, MgCl2
Resolution 2.10 Å R-free 0.256
6VGH Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant In Complex with Lasofoxifene Deposited 2020-01-08 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 307–554（248 aa）
Chain B 307–554（248 aa）
Not recorded C3D (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298.15 K；PEG 3,350, Tris pH 7.5, MgCl2
Resolution 2.10 Å R-free 0.274
6VJD Estrogen Receptor Alpha Ligand Binding Domain in Complex with Lasofoxifene Deposited 2020-01-15 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 307–554（248 aa）
Chain B 307–554（248 aa）
Not recorded C3D (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3350, Tris pH 7.5, MgCl2
Resolution 1.80 Å R-free 0.226
6VJD Estrogen Receptor Alpha Ligand Binding Domain in Complex with Lasofoxifene Deposited 2020-01-15 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 C 307–554（248 aa）
Chain D 307–554（248 aa）
Not recorded C3D (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3350, Tris pH 7.5, MgCl2
Resolution 1.80 Å R-free 0.226
6VPF Estrogen Receptor Alpha Ligand Binding Domain in Complex with the Selective Estrogen Receptor Modulator Clomiphene Deposited 2020-02-03 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 B 306–554（249 aa）
Chain D 306–554（249 aa）
Not recorded 53Q Clomifene × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, Tris pH 7.5, MgCl2
Resolution 1.60 Å R-free 0.234
6VPF Estrogen Receptor Alpha Ligand Binding Domain in Complex with the Selective Estrogen Receptor Modulator Clomiphene Deposited 2020-02-03 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 306–554（249 aa）
Chain C 306–554（249 aa）
Not recorded 53Q Clomifene × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, Tris pH 7.5, MgCl2
Resolution 1.60 Å R-free 0.234
6WOK Crystal structure of estrogen receptor alpha in complex with receptor degrader 6 Deposited 2020-04-24 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 298–553（256 aa）
Chain D 298–553（256 aa）
Mutation：L372S,L536S Mutation：L372S,L536S G9J (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol × 2 U6D (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；25-35% PEG 3,350 0.1 M Bis-Tris (pH 6.1-6.5) 150-300 mM MgCl2
Resolution 2.31 Å R-free 0.250
6WOK Crystal structure of estrogen receptor alpha in complex with receptor degrader 6 Deposited 2020-04-24 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 B 298–553（256 aa）
Chain C 298–553（256 aa）
Mutation：L372S,L536S Mutation：L372S,L536S G9J (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol × 1 U6D (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；25-35% PEG 3,350 0.1 M Bis-Tris (pH 6.1-6.5) 150-300 mM MgCl2
Resolution 2.31 Å R-free 0.250
6ZOQ Oestrogen receptor ligand binding domain in complex with compound 16 Deposited 2020-07-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 307–554（248 aa）
Chain B 307–554（248 aa）
Not recorded QNE ~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350, magnesium chloride
Resolution 1.80 Å R-free 0.232
6ZOR Oestrogen receptor ligand binding domain in complex with compound 28 Deposited 2020-07-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 307–554（248 aa）
Chain B 307–554（248 aa）
Not recorded QNH 6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350, magnesium chloride
Resolution 1.97 Å R-free 0.229
6ZOS Oestrogen receptor ligand binding domain in complex with compound 18 Deposited 2020-07-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 307–554（248 aa）
Chain B 307–554（248 aa）
Not recorded QNK 6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350, magnesium chloride
Resolution 2.00 Å R-free 0.242
7B9M Cys-45-tethered stabilizer 3 of 14-3-3(sigma)/ERa PPI Deposited 2020-12-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 588–595（8 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 T4W 2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol
Resolution 1.70 Å R-free 0.213
7B9R Cys-45-tethered stabilizer 4 of 14-3-3(sigma)/ERa PPI Deposited 2020-12-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 588–595（8 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 2 T4Q 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol
Resolution 1.15 Å R-free 0.196
7B9T Cys-45-tethered stabilizer 5 of 14-3-3(sigma)/ERa PPI Deposited 2020-12-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 588–595（8 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 T4Z 2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol
Resolution 1.15 Å R-free 0.194
7BA3 Cys-42-tethered stabilizer 6 of 14-3-3(sigma)/ERa PPI Deposited 2020-12-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 588–595（8 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 T5N 2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol
Resolution 1.40 Å R-free 0.204
7BA5 Cys-42-tethered stabilizer 7 of 14-3-3(sigma)/ERa PPI Deposited 2020-12-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 588–595（8 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 T5T 2-(4-fluoranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol
Resolution 1.45 Å R-free 0.201
7BA6 Cys-42-tethered stabilizer 8 of 14-3-3(sigma)/ERa PPI Deposited 2020-12-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 588–595（8 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 T5Q 2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol
Resolution 1.40 Å R-free 0.206
7BA7 Cys-42-tethered stabilizer 9 of 14-3-3(sigma)/ERa PPI Deposited 2020-12-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 588–595（8 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 T5W 2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol
Resolution 1.45 Å R-free 0.208
7BA8 Cys-42-tethered stabilizer 10 of 14-3-3(sigma)/ERa PPI Deposited 2020-12-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 588–595（8 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 2 T6H 2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol
Resolution 1.20 Å R-free 0.207
7BA9 Cys-42-tethered stabilizer 11 of 14-3-3(sigma)/ERa PPI Deposited 2020-12-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 588–595（8 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 T6N 2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol
Resolution 1.48 Å R-free 0.212
7BAA Cys-42-tethered stabilizer 12 of 14-3-3(sigma)/ERa PPI Deposited 2020-12-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 588–595（8 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 T5Z 2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol
Resolution 1.10 Å R-free 0.197
7BAB Cys-42-tethered stabilizer 13 of 14-3-3(sigma)/ERa PPI Deposited 2020-12-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 588–595（8 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 T6W 2-(2-chloro-4-nitrophenoxy)-2-methyl-N-(2-sulfanylethyl)propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；277 K；0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol
Resolution 1.30 Å R-free 0.201
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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 305–554（250 aa）
Chain B 305–554（250 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
7KBS Estrogen Receptor Alpha Ligand Binding Domain in Complex with Raloxifene Deposited 2020-10-02 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 307–554（248 aa） Fragment：Alpha Ligand Binding Domain, residues 307-554
Chain B 307–554（248 aa） Fragment：Alpha Ligand Binding Domain, residues 307-554
Mutation：L536S, C381S, C417S, C530S Mutation：L536S, C381S, C417S, C530S RAL RALOXIFENE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 8,000, MgCl2
Resolution 1.83 Å R-free 0.210
7MSA GDC-9545 in complex with estrogen receptor alpha Deposited 2021-05-10 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 298–553（256 aa）
Chain D 298–553（256 aa）
Not recorded G9J (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol × 1 ZNM 3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6；291 K；35% PEG3350, 0.1M Bis-Tris, pH 6.0, 150 mM MgCl2, and 10 mM GDC-9545
Resolution 2.24 Å R-free 0.246
7MSA GDC-9545 in complex with estrogen receptor alpha Deposited 2021-05-10 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 B 298–553（256 aa）
Chain C 298–553（256 aa）
Not recorded G9J (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol × 1 ZNM 3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6；291 K；35% PEG3350, 0.1M Bis-Tris, pH 6.0, 150 mM MgCl2, and 10 mM GDC-9545
Resolution 2.24 Å R-free 0.246
7N9O Estrogen Receptor Alpha Ligand Binding Domain in Complex with Aliphatic SERD S-C10(15) Deposited 2021-06-18 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 306–554（249 aa）
Chain B 306–554（249 aa）
Mutation：C381S, C417S, C530S, L536S Mutation：C381S, C417S, C530S, L536S 5YR 10-{[3,17beta-dihydroxyestra-1,3,5(10)-trien-7beta-yl]sulfanyl}-N-methyl-N-propyldecanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 8000, magnesium chloride
Resolution 2.00 Å R-free 0.225
7N9O Estrogen Receptor Alpha Ligand Binding Domain in Complex with Aliphatic SERD S-C10(15) Deposited 2021-06-18 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 C 306–554（249 aa）
Chain D 306–554（249 aa）
Mutation：C381S, C417S, C530S, L536S Mutation：C381S, C417S, C530S, L536S 5YR 10-{[3,17beta-dihydroxyestra-1,3,5(10)-trien-7beta-yl]sulfanyl}-N-methyl-N-propyldecanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 8000, magnesium chloride
Resolution 2.00 Å R-free 0.225
7NDO ER-PRS*(-) (L536S, L372R) in complex with raloxifene Deposited 2021-02-02 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 304–548（245 aa）
Chain B 304–548（245 aa）
Mutation：;M315I, V316I, D321E, T334S, S341Y, R363K, T371S, L372R, C381S, E397D, N407D, N413E, C417S, S433E, M437E, N439K, G442R, S450A, E471N, D473E, H474K, V478M, T485A, H488W, L489Y, A493S, T496S, C530S, L536S ; Mutation：;M315I, V316I, D321E, T334S, S341Y, R363K, T371S, L372R, C381S, E397D, N407D, N413E, C417S, S433E, M437E, N439K, G442R, S450A, E471N, D473E, H474K, V478M, T485A, H488W, L489Y, A493S, T496S, C530S, L536S ; RAL RALOXIFENE × 2 EDO 1,2-ETHANEDIOL × 8 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；292 K；0.2 M sodium chloride, 0.1 M BIS-TRIS pH 5.5, 25% w/v polyethylene glycol 3,350
Resolution 1.60 Å R-free 0.195
7NEL ER-PRS*(+) (Y537S) in complex with estradiol and SRC-2 coactivator peptide Deposited 2021-02-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 304–548（245 aa）
Chain B 304–548（245 aa）
Mutation：;M315I, V316I, D321E, T334S, S341Y, R363K, T371S, C381S, E397D, N407D, N413E, C417S, S433E, M437E, N439K, G442R, S450A, E471N, D473E, H474K, V478M, T485A, H488W, L489Y, A493S, T496S, C530S, Y537S ; Mutation：;M315I, V316I, D321E, T334S, S341Y, R363K, T371S, C381S, E397D, N407D, N413E, C417S, S433E, M437E, N439K, G442R, S450A, E471N, D473E, H474K, V478M, T485A, H488W, L489Y, A493S, T496S, C530S, Y537S ; 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 304–548（245 aa）
Chain B 304–548（245 aa）
Mutation：;M315I, V316I, D321E, T334S, S341Y, R363K, T371S, C381S, E397D, N407D, N413E, C417S, S433E, M437E, N439K, G442R, S450A, E471N, D473E, H474K, V478M, T485A, H488W, L489Y, A493S, T496S, C530S, Y537S ; Mutation：;M315I, V316I, D321E, T334S, S341Y, R363K, T371S, C381S, E397D, N407D, N413E, C417S, S433E, M437E, N439K, G442R, S450A, E471N, D473E, H474K, V478M, T485A, H488W, L489Y, A493S, T496S, C530S, Y537S ; 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
7NFW Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide Deposited 2021-02-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 588–595（8 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；5 % Glycerol, 27.4% PEG 400, 0.19 M Calciumchloridedihydrate, 0.0678 M HEPES, 0.0272 M HEPES
Resolution 1.19 Å R-free 0.226
7NIZ Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide and ligands Fusicoccin-A and WR-1065 Deposited 2021-02-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 588–595（8 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) FSC FUSICOCCIN × 2 UGH WR-1065 × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；5 %Glycerol, 0.19 M Calciumchloridedihydrate, 29% PEG 400, 0.0406 M HEPES pH 7.0, 0.0544 M HEPES pH 7.6
Resolution 1.48 Å R-free 0.239
7OPW Ternary complex of 14-3-3 sigma, Estrogen Receptor alfa phosphopeptide, and WQ136 Deposited 2021-06-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 581–595（15 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 0AW ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide × 6 MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 BME BETA-MERCAPTOETHANOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M HEPES pH7.5, 0.19 M CaCl2, 5% glycerol, 26% PEG 400.
Resolution 1.81 Å R-free 0.229
7OQ7 Ternary complex of 14-3-3 sigma, Estrogen Receptor alfa phosphopeptide, and WQ162 Deposited 2021-06-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 581–595（15 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 09W ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide × 4 BME BETA-MERCAPTOETHANOL × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH 7.5, 26%PEG 400, 0.19 M CaCl2, and 5 % Glycerol
Resolution 1.60 Å R-free 0.198
7OQ8 Ternary complex of 14-3-3 sigma, Estrogen Receptor alfa phosphopeptide, and WQ178 Deposited 2021-06-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 581–595（15 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 0B7 ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-1~{H}-indole-6-carboxamide × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH7.5, 26%PEG 400, 0.19 M CaCl2, and 5 % Glycerol
Resolution 1.43 Å R-free 0.206
7QVJ ESTROGEN RECEPTOR ALPHA IN COMPLEX WITH COMPOUND 29 Deposited 2022-01-21 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 307–554（248 aa）
Not recorded H09 2,2-bis(fluoranyl)-3-[(1~{R},3~{R})-1-[6-fluoranyl-3-[2-(3-fluoranylpropylamino)ethoxy]-2-methyl-phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG3350, magnesium chloride
Resolution 1.68 Å R-free 0.216
7QVJ ESTROGEN RECEPTOR ALPHA IN COMPLEX WITH COMPOUND 29 Deposited 2022-01-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 307–554（248 aa）
Not recorded H09 2,2-bis(fluoranyl)-3-[(1~{R},3~{R})-1-[6-fluoranyl-3-[2-(3-fluoranylpropylamino)ethoxy]-2-methyl-phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG3350, magnesium chloride
Resolution 1.68 Å R-free 0.216
7QVL OESTROGEN RECEPTOR LIGAND BINDING DOMAIN IN COMPLEX WITH COMPOUND 38 Deposited 2022-01-21 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 307–554（248 aa）
Not recorded GZI (2~{R})-3-[(1~{R},3~{R})-1-[5-fluoranyl-2-[2-(3-fluoranylpropylamino)ethoxy]-3-methyl-pyridin-4-yl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methyl-propanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG3350, magnesium chloride
Resolution 1.90 Å R-free 0.245
7QVL OESTROGEN RECEPTOR LIGAND BINDING DOMAIN IN COMPLEX WITH COMPOUND 38 Deposited 2022-01-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 307–554（248 aa）
Not recorded GZI (2~{R})-3-[(1~{R},3~{R})-1-[5-fluoranyl-2-[2-(3-fluoranylpropylamino)ethoxy]-3-methyl-pyridin-4-yl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methyl-propanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG3350, magnesium chloride
Resolution 1.90 Å R-free 0.245
7R62 Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Desmethyl ICI164,384 Derivative Deposited 2021-06-22 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 306–554（249 aa）
Not recorded 3YJ 11-[3,17beta-dihydroxyestra-1,3,5(10)-trien-7beta-yl]-N-methyl-N-propylundecanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 8000, Magnesium Chloride
Resolution 1.50 Å R-free 0.230
7RKE Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-(((2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)methyl)phenol and GRIP Peptide Deposited 2021-07-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 305–554（250 aa）
Not recorded 5VP 4-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, MgCl2, pH 8
Resolution 1.55 Å R-free 0.273
7RKE Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-(((2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)methyl)phenol and GRIP Peptide Deposited 2021-07-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 305–554（250 aa）
Not recorded 5VP 4-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, MgCl2, pH 8
Resolution 1.55 Å R-free 0.273
7RNM Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 2-(2-Chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)isoindolin-5-ol and GRIP Peptide Deposited 2021-07-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 305–554（250 aa）
Chain B 305–554（250 aa）
Not recorded 61Z 2-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-isoindol-5-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3350, MgCl2
Resolution 1.90 Å R-free 0.221
7RRX Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-19 Deposited 2021-08-10 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 298–554（257 aa） Fragment：Ligand binding domain
Chain B 298–554（257 aa） Fragment：Ligand binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) 7AI (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.78 Å R-free 0.265
7RRX Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-19 Deposited 2021-08-10 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 C 298–554（257 aa） Fragment：Ligand binding domain
Chain D 298–554（257 aa） Fragment：Ligand binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) 7AI (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.78 Å R-free 0.265
7RRY Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-20 Deposited 2021-08-10 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 298–554（257 aa） Fragment：Ligand binding domain
Chain B 298–554（257 aa） Fragment：Ligand binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) L84 (1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-N-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.87 Å R-free 0.236
7RRY Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-20 Deposited 2021-08-10 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 C 298–554（257 aa） Fragment：Ligand binding domain
Chain D 298–554（257 aa） Fragment：Ligand binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) L84 (1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-N-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.87 Å R-free 0.236
7RRZ Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-30 Deposited 2021-08-10 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 298–554（257 aa） Fragment：Ligand binding domain
Chain B 298–554（257 aa） Fragment：Ligand binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) 77I (1S,2R,4S,5R,6S)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.83 Å R-free 0.258
7RRZ Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-30 Deposited 2021-08-10 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 C 298–554（257 aa） Fragment：Ligand binding domain
Chain D 298–554（257 aa） Fragment：Ligand binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) 77I (1S,2R,4S,5R,6S)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.83 Å R-free 0.258
7RS0 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-18 Deposited 2021-08-10 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 298–554（257 aa） Fragment：Ligand binding domain
Chain B 298–554（257 aa） Fragment：Ligand binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) 7I9 (1R,2S,4R,5R,6R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-(4-propoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.67 Å R-free 0.227
7RS0 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-18 Deposited 2021-08-10 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 C 298–554（257 aa） Fragment：Ligand binding domain
Chain D 298–554（257 aa） Fragment：Ligand binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) 7I9 (1R,2S,4R,5R,6R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-(4-propoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.67 Å R-free 0.227
7RS1 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-21 Deposited 2021-08-10 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 298–554（257 aa） Fragment：Ligand binding domain
Chain B 298–554（257 aa） Fragment：Ligand binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) 7Q5 methyl 3-(4-{[(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.59 Å R-free 0.219
7RS1 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-21 Deposited 2021-08-10 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 C 298–554（257 aa） Fragment：Ligand binding domain
Chain D 298–554（257 aa） Fragment：Ligand binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) 7Q5 methyl 3-(4-{[(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.59 Å R-free 0.219
7RS2 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-23 Deposited 2021-08-10 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 298–554（257 aa） Fragment：Ligand binding domain
Chain B 298–554（257 aa） Fragment：Ligand binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) 7I5 (2E)-3-(4-{[(1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.72 Å R-free 0.221
7RS2 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-23 Deposited 2021-08-10 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 C 298–554（257 aa） Fragment：Ligand binding domain
Chain D 298–554（257 aa） Fragment：Ligand binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) 7I5 (2E)-3-(4-{[(1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.72 Å R-free 0.221
7RS3 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-29 Deposited 2021-08-10 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 298–554（257 aa） Fragment：Ligand binding domain
Chain B 298–554（257 aa） Fragment：Ligand binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) 7OR (1S,2R,4S)-6-[4-(benzyloxy)phenyl]-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 2 TYR TYROSINE × 1 SER SERINE × 1 CYS CYSTEINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.84 Å R-free 0.283
7RS3 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-29 Deposited 2021-08-10 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 C 298–554（257 aa） Fragment：Ligand binding domain
Chain D 298–554（257 aa） Fragment：Ligand binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) 7OR (1S,2R,4S)-6-[4-(benzyloxy)phenyl]-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 2 TYR TYROSINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.84 Å R-free 0.283
7RS4 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-8 Deposited 2021-08-10 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 298–554（257 aa） Fragment：Ligand binding domain
Chain B 298–554（257 aa） Fragment：Ligand binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) 7I0 (2E)-3-{4-[(1E)-2-(2-chloro-4-fluorophenyl)-1-(2H-indazol-5-yl)but-1-en-1-yl]phenyl}prop-2-enoic acid × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.78 Å R-free 0.251
7RS4 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-8 Deposited 2021-08-10 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 C 298–554（257 aa） Fragment：Ligand binding domain
Chain D 298–554（257 aa） Fragment：Ligand binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) 7I0 (2E)-3-{4-[(1E)-2-(2-chloro-4-fluorophenyl)-1-(2H-indazol-5-yl)but-1-en-1-yl]phenyl}prop-2-enoic acid × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.78 Å R-free 0.251
7RS7 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-30 Deposited 2021-08-11 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 298–554（257 aa） Fragment：Ligand binding domain
Chain B 298–554（257 aa） Fragment：Ligand binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) 73I (1S,2R,4S,5S,6S)-N,5,6-tris(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.58 Å R-free 0.251
7RS7 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-30 Deposited 2021-08-11 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 C 298–554（257 aa） Fragment：Ligand binding domain
Chain D 298–554（257 aa） Fragment：Ligand binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) 73I (1S,2R,4S,5S,6S)-N,5,6-tris(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.58 Å R-free 0.251
7RS8 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-16 Deposited 2021-08-11 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 298–554（257 aa） Fragment：Ligand binding domain
Chain B 298–554（257 aa） Fragment：Ligand binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) 7EI (1R,2S,4R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.64 Å R-free 0.250
7RS8 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-16 Deposited 2021-08-11 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 C 298–554（257 aa） Fragment：Ligand binding domain
Chain D 298–554（257 aa） Fragment：ligand-binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S 7EI (1R,2S,4R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.64 Å R-free 0.250
7RS9 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-25 Deposited 2021-08-11 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 298–554（257 aa） Fragment：Ligand binding domain
Chain B 298–554（257 aa） Fragment：Ligand binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) 7OI (1S,2R,4S)-N-[4-(benzyloxy)phenyl]-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.70 Å R-free 0.252
7RS9 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-25 Deposited 2021-08-11 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 C 298–554（257 aa） Fragment：Ligand binding domain
Chain D 298–554（257 aa） Fragment：Ligand binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) 7OI (1S,2R,4S)-N-[4-(benzyloxy)phenyl]-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.70 Å R-free 0.252
7SFO Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 3-(((2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)methyl)phenol and GRIP Peptide Deposited 2021-10-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 305–554（250 aa）
Chain B 305–554（250 aa）
Mutation：Y537S Mutation：Y537S 98L 3-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 8,000, HEPES pH 8.0, MgCl2
Resolution 1.90 Å R-free 0.226
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 124–381（258 aa）
Mutation：Y537S 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 124–381（258 aa）
Mutation：Y537S 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
7TE7 Estrogen Receptor Alpha Ligand Binding Domain in Complex with RAD1901 Deposited 2022-01-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 306–554（249 aa）
Not recorded I0V (6R)-6-{2-[ethyl({4-[2-(ethylamino)ethyl]phenyl}methyl)amino]-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, HEPES pH 8, MgCl2
Resolution 1.85 Å R-free 0.246
7UJ7 Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with RU39411 Deposited 2022-03-30 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 B 306–554（249 aa）
Chain D 306–554（249 aa）
Not recorded NYU 11alpha-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1(10),2,4-triene-3,17beta-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298.15 K；PEG 3350, Tris pH 7.5, MgCl2
Resolution 1.68 Å R-free 0.240
7UJ7 Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with RU39411 Deposited 2022-03-30 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 306–554（249 aa）
Chain C 306–554（249 aa）
Not recorded NYU 11alpha-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1(10),2,4-triene-3,17beta-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298.15 K；PEG 3350, Tris pH 7.5, MgCl2
Resolution 1.68 Å R-free 0.240
7UJ8 Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-Hydroxytamoxifen Deposited 2022-03-30 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 307–554（248 aa）
Chain B 307–554（248 aa）
Not recorded OHT 4-HYDROXYTAMOXIFEN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG 3,350, MgCl2, Tris
Resolution 2.38 Å R-free 0.271
7UJC Raloxifene in Complex with Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutation Deposited 2022-03-30 Different construct 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 306–554（249 aa）
Chain B 306–554（249 aa）
Mutation：Y537S Mutation：Y537S RAL RALOXIFENE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 8,000, MgCl2
Resolution 1.78 Å R-free 0.230
7UJF Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative with Selective Estrogen Receptor Degrader Properties Deposited 2022-03-30 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 307–554（248 aa）
Chain B 307–554（248 aa）
Not recorded R3V (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 8,000, Tris pH 7.7, MgCl2
Resolution 1.70 Å R-free 0.239
7UJF Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative with Selective Estrogen Receptor Degrader Properties Deposited 2022-03-30 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 C 307–554（248 aa）
Chain D 307–554（248 aa）
Not recorded R3V (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 8,000, Tris pH 7.7, MgCl2
Resolution 1.70 Å R-free 0.239
7UJM Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative That Increases Receptor Resonance Time in the Nucleus of Breast Cancer Cells Deposited 2022-03-31 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 307–554（248 aa）
Chain B 307–554（248 aa）
Mutation：C381S, C417S, C530S Mutation：C381S, C417S, C530S RL4 (5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 8,000, MgCl2, Tris pH 7.5
Resolution 1.80 Å R-free 0.233
7UJM Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative That Increases Receptor Resonance Time in the Nucleus of Breast Cancer Cells Deposited 2022-03-31 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 C 307–554（248 aa）
Chain D 307–554（248 aa）
Mutation：C381S, C417S, C530S Mutation：C381S, C417S, C530S RL4 (5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 8,000, MgCl2, Tris pH 7.5
Resolution 1.80 Å R-free 0.233
7UJO Estrogen Receptor Alpha Ligand Binding Domain in Complex with RU39411 Deposited 2022-03-31 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 306–554（249 aa）
Chain B 306–554（249 aa）
Not recorded QYM (9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol × 2 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298.15 K；PEG 8,000, Tris pH 6.5, MgCl2
Resolution 1.45 Å R-free 0.228
7UJO Estrogen Receptor Alpha Ligand Binding Domain in Complex with RU39411 Deposited 2022-03-31 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 C 306–554（249 aa）
Chain D 306–554（249 aa）
Not recorded QYM (9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298.15 K；PEG 8,000, Tris pH 6.5, MgCl2
Resolution 1.45 Å R-free 0.228
7UJW Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with a Methylated Lasofoxifene Derivative that Possesses Selective Estrogen Receptor Degrader Activities Deposited 2022-03-31 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 306–554（249 aa）
Chain C 306–554（249 aa）
Mutation：Y537S Mutation：Y537S R3V (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 8,000, Tris pH 8.0, MgCl2
Resolution 2.60 Å R-free 0.263
7UJW Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with a Methylated Lasofoxifene Derivative that Possesses Selective Estrogen Receptor Degrader Activities Deposited 2022-03-31 Different construct 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 306–554（249 aa）
Chain D 306–554（249 aa）
Mutation：Y537S Mutation：Y537S R3V (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 8,000, Tris pH 8.0, MgCl2
Resolution 2.60 Å R-free 0.263
7UJY Estrogen receptor alpha ligand binding domain Y537S mutant in complex with a methylated lasofoxifene derivative that enhances estrogen receptor alpha nuclear resonance time Deposited 2022-03-31 Different construct 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 306–554（249 aa）
Chain B 306–554（249 aa）
Mutation：Y537S Mutation：Y537S RL4 (5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298.15 K；PEG 3,350, Tris pH 7.5, MgCl2
Resolution 1.70 Å R-free 0.224
7UJY Estrogen receptor alpha ligand binding domain Y537S mutant in complex with a methylated lasofoxifene derivative that enhances estrogen receptor alpha nuclear resonance time Deposited 2022-03-31 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 306–554（249 aa）
Chain D 306–554（249 aa）
Mutation：Y537S Mutation：Y537S RL4 (5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298.15 K；PEG 3,350, Tris pH 7.5, MgCl2
Resolution 1.70 Å R-free 0.224
7WNV Crystal structure of mutant estrogen receptor alpha Y537S in complex with CO9 Deposited 2022-01-19 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 297–554（258 aa）
Chain B 297–554（258 aa）
Mutation：C417S Y537S Mutation：C417S Y537S 2I9 (~{Z})-4-[2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]oxy]phenoxy]ethylamino]-~{N},~{N}-dimethyl-but-2-enamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；PEG 3350, sodium citrate tribasic dihydrate, magnesium chloride
Resolution 2.30 Å R-free 0.235
7WNV Crystal structure of mutant estrogen receptor alpha Y537S in complex with CO9 Deposited 2022-01-19 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 C 297–554（258 aa）
Chain D 297–554（258 aa）
Mutation：C417S Y537S Mutation：C417S Y537S 2I9 (~{Z})-4-[2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]oxy]phenoxy]ethylamino]-~{N},~{N}-dimethyl-but-2-enamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；PEG 3350, sodium citrate tribasic dihydrate, magnesium chloride
Resolution 2.30 Å R-free 0.235
7Y8F Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30o and GRIP Peptide Deposited 2022-06-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 305–554（250 aa） Fragment：Ligand Binding Domain
Mutation：Y537S PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295.15 K；18% (w/v) PEG 3350, 0.25 M Ammonium sulfate, and 0.1 M HEPES pH 7.5
Resolution 2.22 Å R-free 0.251
7Y8F Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30o and GRIP Peptide Deposited 2022-06-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 305–554（250 aa） Fragment：Ligand Binding Domain
Mutation：Y537S IC7 [4-(trifluoromethyl)phenyl] (1~{S},2~{R},4~{S})-5-(4-hydroxyphenyl)-6-[4-(1,2,4-triazol-1-yl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-sulfonate × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295.15 K；18% (w/v) PEG 3350, 0.25 M Ammonium sulfate, and 0.1 M HEPES pH 7.5
Resolution 2.22 Å R-free 0.251
7Y8G Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30a and GRIP Peptide Deposited 2022-06-23 Different construct 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 305–554（250 aa） Fragment：Ligand Binding Domain
Chain B 305–554（250 aa） Fragment：Ligand Binding Domain
Mutation：Y537S Mutation：Y537S IAT [4-(1,2,4-triazol-1-yl)phenyl] (1~{S},2~{R},4~{S})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate × 2 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295.15 K；18% (w/v) PEG 3350, 0.25 M Ammonium sulfate, and 0.1 M HEPES pH 7.5
Resolution 2.14 Å R-free 0.248
7YMK Estrogen Receptor Alpha Ligand Binding Domain C381S C417S Y537S Mutant in Complex with an Covalent Selective Estrogen Receptor Degrader 29c and GRIP Peptide Deposited 2022-07-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 305–554（250 aa）
Mutation：C381S,C417S,Y531S PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295.15 K；18% (w/v) PEG 3350, 0.25 M Ammonium sulfate, and 0.1 M HEPES pH 7.5
Resolution 2.25 Å R-free 0.253
7YMK Estrogen Receptor Alpha Ligand Binding Domain C381S C417S Y537S Mutant in Complex with an Covalent Selective Estrogen Receptor Degrader 29c and GRIP Peptide Deposited 2022-07-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 305–554（250 aa）
Mutation：C381S,C417S,Y531S IX0 N-(4-((1S,4S,6R)-3-(4-hydroxyphenyl)-6-(N-(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)sulfamoyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)-3-methylbut-2-enamide × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295.15 K；18% (w/v) PEG 3350, 0.25 M Ammonium sulfate, and 0.1 M HEPES pH 7.5
Resolution 2.25 Å R-free 0.253
8AFN Small molecule stabilizer (compound 1) for ERalpha and 14-3-3 Deposited 2022-07-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 O6C 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH 7.1, 0.19 M CaCl2, 5% glycerol, 24% PEG 400
Resolution 1.36 Å R-free 0.185
8AI0 Small molecular stabilizer for ERalpha and 14-3-3sigma (1080268) Deposited 2022-07-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 M79 2-chloranyl-N-[[1-(2-methyl-2-phenylazanyl-propanoyl)piperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (28% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.177
8ALR Small molecular stabilizer for ERalpha and 14-3-3 (1080272) Deposited 2022-08-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 MVU 2-chloranyl-N-[[1-(1-phenylazanylcyclohexyl)carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.5), PEG400 (25% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.171
8ALT Small molecular stabilizer for ERalpha and 14-3-3 (1075311) Deposited 2022-08-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 MU9 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (27% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.158
8ALV Small molecular stabilizer for ERalpha and 14-3-3 (1076403) Deposited 2022-08-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 MV3 2-chloranyl-N-[[1-[1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.5), PEG400 (25% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.185
8ALW Small molecular stabilizer for ERalpha and 14-3-3 (1075310) Deposited 2022-08-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 MVO 2-chloranyl-N-[[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (27% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.50 Å R-free 0.168
8AM7 Small molecular stabilizer for ERalpha and 14-3-3 (1076397) Deposited 2022-08-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 MRF 2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.50 Å R-free 0.163
8ANF Small molecule stabilizer for ERalpha and 14-3-3 (1074359) Deposited 2022-08-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 N1R 2-chloranyl-N-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3, PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.162
8AOY Small molecule stabilizer for ERalpha and 14-3-3 (1075478) Deposited 2022-08-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 N0L 2-chloranyl-N-[3-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]propyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.7), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.153
8APS Small molecular stabilizer for ERalpha and 14-3-3 (1083744) Deposited 2022-08-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 NJ3 2-chloranyl-1-[3-[(2R,6S)-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonyl-3,9-diazaspiro[5.5]undecan-9-yl]ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.20 Å R-free 0.151
8AQ1 small molecule stabilizer for ERalpha and 14-3-3 (1083743) Deposited 2022-08-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 NJC (2S,6R)-N-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxane-4-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (26% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.181
8AQC Small molecular stabilizer for ERalpha and 14-3-3 (1080294) Deposited 2022-08-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 2 NIB N-[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]-4-[(4-chlorophenyl)amino]oxane-4-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (26% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.50 Å R-free 0.172
8AQE Small molecular stabilizer for ERalpha and 14-3-3 (1080295) Deposited 2022-08-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 NE9 2-chloranyl-N-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.240
8AQZ Small molecular stabilizer for ERalpha and 14-3-3 (1080267) Deposited 2022-08-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 NF9 2-chloranyl-N-[2-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (26% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.160
8AR4 Small molecular stabilizer for ERalpha and 14-3-3 (1080300) Deposited 2022-08-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 NG9 2-chloranyl-N-[[1-[4-[(4-chlorophenyl)amino]-2,2,6,6-tetramethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.7), PEG400 (27% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.50 Å R-free 0.219
8AR5 Small molecular stabilizer for ERalpha and 14-3-3 (1080265) Deposited 2022-08-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 NJI 2-chloranyl-1-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-2-yl]ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.162
8ARG Small molecular stabilizer for ERalpha and 14-3-3 (1076405) Deposited 2022-08-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 ND9 N-[[1-(4-azanyl-1-phenoxy-cyclohexyl)carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (25% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.50 Å R-free 0.163
8ARO Small molecular stabilizer for ERalpha and 14-3-3 (1080291) Deposited 2022-08-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 NJR 2-chloranyl-N-[[1-[2-[(4-chlorophenyl)amino]-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.200
8ARQ Small molecular stabilizer for ERalpha and 14-3-3 (1080266) Deposited 2022-08-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 NKL 2-chloranyl-1-[2-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-7-yl]ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (26% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.175
8ARR Small molecular stabilizer for ERalpha and 14-3-3 (1076394) Deposited 2022-08-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 NK6 N-[[1-[4-azanyl-1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.4), PEG400 (26% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.35 Å R-free 0.199
8ARW Small molecular stabilizer for ERalpha and 14-3-3 (1076402) Deposited 2022-08-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 NQ9 N-[[1-[4-azanyl-1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1 ), PEG400 (28% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.50 Å R-free 0.179
8ARX Small molecular stabilizer for ERalpha and 14-3-3sigma (1074378) Deposited 2022-08-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 NR6 2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.165
8ARY Small molecular stabilizer for ERalpha and 14-3-3 (1080273) Deposited 2022-08-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 NQU 2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.45 Å R-free 0.165
8ARZ Small molecule stabilizer for ERalpha and 14-3-3 (1076406) Deposited 2022-08-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 NQ0 2-chloranyl-N-[[1-[1-[(4-chlorophenyl)amino]cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.50 Å R-free 0.170
8AS1 Small molecular stabilizer for ERalpha and 14-3-3 (1076398) Deposited 2022-08-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 NQL 2-chloranyl-N-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.50 Å R-free 0.192
8AT9 Small molecule stabilizer for ERalpha and 14-3-3 (1080269) Deposited 2022-08-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 2 NUO 2-chloranyl-~{N}-[[1-(1-phenylazanylcyclobutyl)carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (26% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.178
8ATP Small molecule stabilizer (1075481) for ERalpha and 14-3-3 Deposited 2022-08-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 O0O 2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), 26% (v/v) PEG400, 0.19 CaCl2, 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.155
8AU2 Small molecular stabilizer for ERalpha and 14-3-3 (1080293) Deposited 2022-08-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 O3O 2-chloranyl-~{N}-[2-[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.202
8AUS Small molecular stabilizer for ERalpha and 14-3-3 (1080297) Deposited 2022-08-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 O3F 2-chloranyl-~{N}-[[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.216
8AUY Small molecule stabilizer for ERalpha and 14-3-3 (1080298) Deposited 2022-08-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 O2X ~{N}-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]oxane-4-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24 (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.50 Å R-free 0.227
8AV3 Small molecular stabilizer for ERalpha and 14-3-3 (1075299) Deposited 2022-08-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 O3T 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (27% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.80 Å R-free 0.195
8AV4 Small molecular stabilizer for ERalpha and 14-3-3 (1075305) Deposited 2022-08-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 O49 2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.5), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.199
8AV7 Small molecular stabilizer for ERalpha and 14-3-3 (1074202 - non covalent) Deposited 2022-08-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 O4I 2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.171
8AV8 Small molecular stabilizer for ERalpha and 14-3-3 (1075300) Deposited 2022-08-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 O4R 2-chloranyl-~{N}-[[1-(1-phenoxycyclopentyl)carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.7), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.80 Å R-free 0.248
8AWG small molecule stabilizer for ERalpha and 14-3-3 (1074202) Deposited 2022-08-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 O4I 2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (26% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.80 Å R-free 0.185
8AXE Small molecule stabilizer for ERalpha and 14-3-3 (1074210) Deposited 2022-08-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 ODC 2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.80 Å R-free 0.217
8AXU Small molecule stabilizer for ERalpha and 14-3-3 (1075297) Deposited 2022-09-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 O6L 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.7), PEG400 (28% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.60 Å R-free 0.170
8B39 Small molecular stabilizer for ERalpha and 14-3-3 (1080299) Deposited 2022-09-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 OT0 2-chloranyl-~{N}-[[1-[(2~{S},6~{R})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.3), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.40 Å R-free 0.160
8BZB co-soak stabilizers for ERa - 14-3-3 interaction (884_AZ275) Deposited 2022-12-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 GEH 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide × 2 SDM 4-ethoxy-1-benzothiophene-2-carboximidamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol
Resolution 1.70 Å R-free 0.193
8C42 Ternary structure of 14-3-3sigma, PKA-responsive ERa phosphopeptide and Fusicoccin-A Deposited 2022-12-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 588–595（8 aa）
Mutation：F591R; P592R Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 6 SIT De-acetylated Fusicoccin × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M Hepes pH 7.1, 0.19 M CaCl2, 25% PEG400, 5% glycerol
Resolution 1.40 Å R-free 0.196
8DU6 Estrogen Receptor Alpha Ligand Binding Domain in Complex with (1'-(4-((1-ethylazetidin-3-yl)oxy)phenyl)-6'-hydroxy-1',4'-dihydro-2'<i>H</i>-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone Deposited 2022-07-27 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 301–554（254 aa）
Chain B 301–554（254 aa）
Mutation：C381S, C417S, C530S, L536S Mutation：C381S, C417S, C530S, L536S TQF [(1'R)-1'-{4-[(1-ethylazetidin-3-yl)oxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, MgCl2, HEPES pH 7.5
Resolution 2.10 Å R-free 0.239
8DU8 Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6-hydroxy-1-(4-((1-propylazetidin-3-yl)oxy)phenyl)-3,4-dihydroisoquinolin-2(1H)-yl)(phenyl)methanone Deposited 2022-07-27 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 301–554（254 aa）
Chain B 301–554（254 aa）
Not recorded TS7 [(1'R)-6'-hydroxy-1'-{4-[(1-propylazetidin-3-yl)oxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, MgCl2, HEPES pH 7.5
Resolution 1.47 Å R-free 0.194
8DU9 Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6-hydroxy-1-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3,4-dihydroisoquinolin-2(1H)-yl)(phenyl)methanone Deposited 2022-07-27 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 301–554（254 aa）
Chain B 301–554（254 aa）
Mutation：C381S, C417S, C530S, L536S Mutation：C381S, C417S, C530S, L536S TT5 [(1'R)-6'-hydroxy-1'-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, MgCl2, pH 7.5
Resolution 2.50 Å R-free 0.258
8DUB Estrogen Receptor Alpha Ligand Binding Domain in Complex with ((1'-(4-((1-ethylpyrrolidin-3-yl)methyl)phenyl)-6'-hydroxy-1',4'-dihydro-2'<i>H</i>-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone Deposited 2022-07-27 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 301–554（254 aa）
Chain B 301–554（254 aa）
Mutation：C381S, C417S, C530S, L536S Mutation：C381S, C417S, C530S, L536S TTU [(1'R)-1'-(4-{[(3S)-1-ethylpyrrolidin-3-yl]oxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 8,000, MgCl2, HEPES pH 8
Resolution 1.84 Å R-free 0.221
8DUC Estrogen Receptor Alpha Ligand Binding Domain in Complex with (1'-(4-(2-(1-ethylpyrrolidin-3-yl)ethoxy)phenyl)-6'-hydroxy-1',4'-dihydro-2'<i>H</i>-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone Deposited 2022-07-27 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 301–554（254 aa）
Not recorded TU9 [(1'R)-1'-(4-{[(3R)-1-ethylpyrrolidin-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 8,000, MgCl2, HEPES pH 7.5
Resolution 1.70 Å R-free 0.262
8DUD Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-(2-(1-propylpyrrolidin-3-yl)ethoxy)phenyl)-1',4'-dihydro-2'<i>H</i>-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone Deposited 2022-07-27 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 301–554（254 aa）
Not recorded TV3 [(1'R)-6'-hydroxy-1'-(4-{[(3R)-1-propylpyrrolidin-3-yl]methoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, MgCl2, HEPES pH 7.5
Resolution 1.81 Å R-free 0.255
8DUG Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-(2-((<i>S</i>)-3-methylpyrrolidin-1-yl)ethoxy)phenyl)-1',4'-dihydro-2'<i>H</i>-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone Deposited 2022-07-27 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 301–554（254 aa）
Chain B 301–554（254 aa）
Mutation：C381S, C417S, C530S, L536S Mutation：C381S, C417S, C530S, L536S TVF [(1'R)-6'-hydroxy-1'-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, MgCl2, HEPES pH 6.0
Resolution 2.20 Å R-free 0.250
8DUH Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-(2-((<i>R</i>)-2-methylpyrrolidin-1-yl)ethoxy)phenyl)-1',4'-dihydro-2'<i>H</i>-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone Deposited 2022-07-27 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 301–554（254 aa）
Chain B 301–554（254 aa）
Mutation：C381S, C417S, C530S, L536S Mutation：C381S, C417S, C530S, L536S TVL [(1'R)-6'-hydroxy-1'-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, MgCl2, HEPES pH 7.5
Resolution 1.90 Å R-free 0.235
8DUI Estrogen Receptor Alpha Ligand Binding Domain in Complex with (1'-(4-(2-(dimethylamino)ethoxy)phenyl)-6'-hydroxy-1',4'-dihydro-2'<i>H</i>-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone Deposited 2022-07-27 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 301–554（254 aa）
Chain B 301–554（254 aa）
Not recorded TVX [(1'R)-1'-{4-[2-(dimethylamino)ethoxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 8,000, MgCl2, HEPES pH 8.0
Resolution 2.04 Å R-free 0.226
8DUK Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-(2-(methylamino)ethoxy)phenyl)-1',4'-dihydro-2'<i>H</i>-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone Deposited 2022-07-27 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 301–554（254 aa）
Chain B 301–554（254 aa）
Mutation：C381S, C417S, C530S, L536S Mutation：C381S, C417S, C530S, L536S TW6 [(1'R)-6'-hydroxy-1'-{4-[2-(methylamino)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 8,000, MgCl2, HEPES pH 8.0
Resolution 1.70 Å R-free 0.268
8DUK Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-(2-(methylamino)ethoxy)phenyl)-1',4'-dihydro-2'<i>H</i>-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone Deposited 2022-07-27 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 C 301–554（254 aa）
Chain D 301–554（254 aa）
Mutation：C381S, C417S, C530S, L536S Mutation：C381S, C417S, C530S, L536S TW6 [(1'R)-6'-hydroxy-1'-{4-[2-(methylamino)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 8,000, MgCl2, HEPES pH 8.0
Resolution 1.70 Å R-free 0.268
8DUS Estrogen Receptor Alpha Ligand Binding Domain in Complex with (1'-(4-(2-(ethylamino)ethoxy)phenyl)-6'-hydroxy-1',4'-dihydro-2'<i>H</i>-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone Deposited 2022-07-27 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 301–554（254 aa）
Chain B 301–554（254 aa）
Mutation：C381S, C417S, C530S, L536S Mutation：C381S, C417S, C530S, L536S TWF [(1'R)-1'-{4-[2-(ethylamino)ethoxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, MgCl2, HEPES pH 8.0
Resolution 1.90 Å R-free 0.327
8DUS Estrogen Receptor Alpha Ligand Binding Domain in Complex with (1'-(4-(2-(ethylamino)ethoxy)phenyl)-6'-hydroxy-1',4'-dihydro-2'<i>H</i>-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone Deposited 2022-07-27 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 E 301–554（254 aa）
Chain F 301–554（254 aa）
Mutation：C381S, C417S, C530S, L536S Mutation：C381S, C417S, C530S, L536S TWF [(1'R)-1'-{4-[2-(ethylamino)ethoxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, MgCl2, HEPES pH 8.0
Resolution 1.90 Å R-free 0.327
8DUS Estrogen Receptor Alpha Ligand Binding Domain in Complex with (1'-(4-(2-(ethylamino)ethoxy)phenyl)-6'-hydroxy-1',4'-dihydro-2'<i>H</i>-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone Deposited 2022-07-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain G 301–554（254 aa）
Chain H 301–554（254 aa）
Mutation：C381S, C417S, C530S, L536S Mutation：C381S, C417S, C530S, L536S TWF [(1'R)-1'-{4-[2-(ethylamino)ethoxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, MgCl2, HEPES pH 8.0
Resolution 1.90 Å R-free 0.327
8DV5 Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-((1-pentylpyrrolidin-3-yl)methoxy)phenyl)-1',4'-dihydro-2'<i>H</i>-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone Deposited 2022-07-28 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 301–554（254 aa）
Chain B 301–554（254 aa）
Mutation：C381S, C417S, C530S, L536S Mutation：C381S, C417S, C530S, L536S TX9 [(1'R)-6'-hydroxy-1'-(4-{[(3S)-1-pentylpyrrolidin-3-yl]methoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, MgCl2, HEPES pH 6.5
Resolution 1.85 Å R-free 0.213
8DV7 Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-(2-(1-propylpyrrolidin-3-yl)ethyl)phenyl)-1',4'-dihydro-2'<i>H</i>-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone Deposited 2022-07-28 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 301–554（254 aa）
Chain B 301–554（254 aa）
Mutation：C381S, C417S, C530S, L536S Mutation：C381S, C417S, C530S, L536S TXK [(1'R)-6'-hydroxy-1'-(4-{2-[(3R)-1-propylpyrrolidin-3-yl]ethyl}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, MgCl2, HEPES pH 8.0
Resolution 1.59 Å R-free 0.208
8DV8 Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-((2-(1-propylpyrrolidin-3-yl)ethyl)thio)phenyl)-1',4'-dihydro-2'<i>H</i>-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone Deposited 2022-07-28 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 301–554（254 aa）
Chain B 301–554（254 aa）
Mutation：C381S, C417S, C530S, L536S Mutation：C381S, C417S, C530S, L536S TZ3 {(1'R)-6'-hydroxy-1'-[4-({[(3S)-1-propylpyrrolidin-3-yl]methyl}sulfanyl)phenyl]-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl}(phenyl)methanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3350, MgCl2, pH 8.0
Resolution 1.70 Å R-free 0.211
8DVB Estrogen Receptor Alpha Ligand Binding Domain in Complex with (1'-(4-((1-butylpyrrolidin-3-yl)methoxy)phenyl)-6'-hydroxy-1',4'-dihydro-2'<i>H</i>-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone Deposited 2022-07-28 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 301–554（254 aa）
Chain B 301–554（254 aa）
Mutation：C381S, C417S, C530S, L536S Mutation：C381S, C417S, C530S, L536S TZI [(1'R)-1'-(4-{[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, MgCl2, HEPES pH 7.5
Resolution 2.19 Å R-free 0.242
8EV1 Dual Modulators Deposited 2022-10-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 298–554（257 aa） Fragment：Ligand binding domain
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 298–554（257 aa） Fragment：Ligand binding domain
Mutation：Y537S Non-standard monomer：Yes (specific site not provided by mmCIF) 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 125–381（257 aa） Fragment：Ligand binding domain
Mutation：Y537S 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 125–381（257 aa） Fragment：Ligand binding domain
Mutation：Y537S 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
8VV1 Estrogen receptor alpha ligand binding domain in complex with palazestrant Deposited 2024-01-30 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 306–554（249 aa） Fragment：Ligand Binding Domain
Chain B 306–554（249 aa） Fragment：Ligand Binding Domain
Mutation：C381S, C417S, C530S Mutation：C381S, C417S, C530S A1AEA palazestrant × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 8,000, MgCl2, pH 7.0
Resolution 2.20 Å R-free 0.231
8VYT Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-411 Deposited 2024-02-09 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 305–547（243 aa）
Chain B 305–547（243 aa）
Mutation：L372S, L536S Mutation：L372S, L536S A1AHV 4,4'-[(1R,4R,5S)-5-(2,3-dihydro-1H-indole-1-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.61 Å R-free 0.212
8VYT Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-411 Deposited 2024-02-09 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 C 305–547（243 aa）
Chain D 305–547（243 aa）
Mutation：L372S, L536S Mutation：L372S, L536S A1AHV 4,4'-[(1R,4R,5S)-5-(2,3-dihydro-1H-indole-1-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.61 Å R-free 0.212
8VYX Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-410 Deposited 2024-02-09 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 305–546（242 aa）
Chain B 305–546（242 aa）
Mutation：L372S, L536S Mutation：L372S, L536S A1AHU 4,4'-[(1S,4S,5R)-5-(3,4-dihydroquinoline-1(2H)-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.69 Å R-free 0.246
8VYX Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-410 Deposited 2024-02-09 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 C 305–546（242 aa）
Chain D 305–546（242 aa）
Mutation：L372S, L536S Mutation：L372S, L536S A1AHU 4,4'-[(1S,4S,5R)-5-(3,4-dihydroquinoline-1(2H)-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.69 Å R-free 0.246
8VZ0 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-400 Deposited 2024-02-09 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 305–546（242 aa）
Chain B 305–546（242 aa）
Mutation：L372S, L536S Mutation：L372S, L536S A1AHO (1S,2R,4S)-N-(cyclopropylmethyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.86 Å R-free 0.249
8VZ0 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-400 Deposited 2024-02-09 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 C 305–546（242 aa）
Chain D 305–546（242 aa）
Mutation：L372S, L536S Mutation：L372S, L536S A1AHO (1S,2R,4S)-N-(cyclopropylmethyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.86 Å R-free 0.249
8VZ1 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-409 Deposited 2024-02-09 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 305–547（243 aa）
Chain B 305–547（243 aa）
Mutation：L372S, L536S Mutation：L372S, L536S A1AHS 4,4'-[(1S,4S,5R)-5-(6-methoxy-3,4-dihydroquinoline-1(2H)-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.82 Å R-free 0.275
8VZ1 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-409 Deposited 2024-02-09 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 C 305–547（243 aa）
Chain D 305–547（243 aa）
Mutation：L372S, L536S Mutation：L372S, L536S A1AHS 4,4'-[(1S,4S,5R)-5-(6-methoxy-3,4-dihydroquinoline-1(2H)-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.82 Å R-free 0.275
8VZP Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-403 Deposited 2024-02-12 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 305–546（242 aa）
Chain B 305–546（242 aa）
Mutation：L372S, L536S Mutation：L372S, L536S A1AHW (1S,2R,4S)-N-(2-hydroxyethyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.72 Å R-free 0.222
8VZP Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-403 Deposited 2024-02-12 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 C 305–546（242 aa）
Chain D 305–546（242 aa）
Mutation：L372S, L536S Mutation：L372S, L536S A1AHW (1S,2R,4S)-N-(2-hydroxyethyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.72 Å R-free 0.222
8VZQ Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-406 Deposited 2024-02-12 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 305–546（242 aa）
Chain B 305–546（242 aa）
Mutation：L372S, L536S Mutation：L372S, L536S A1AHX (1S,2R,4S)-N-(2-fluoro-2-methylpropyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 2 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.75 Å R-free 0.220
8VZQ Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-406 Deposited 2024-02-12 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 C 305–546（242 aa）
Chain D 305–546（242 aa）
Mutation：L372S, L536S Mutation：L372S, L536S A1AHX (1S,2R,4S)-N-(2-fluoro-2-methylpropyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 2 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.75 Å R-free 0.220
8W03 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-1154 Deposited 2024-02-13 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 305–546（242 aa）
Chain B 305–546（242 aa）
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) OBT (1S,2R,4S)-N-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.68 Å R-free 0.245
8W03 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-1154 Deposited 2024-02-13 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 C 305–546（242 aa）
Chain D 305–546（242 aa）
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) OBT (1S,2R,4S)-N-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.68 Å R-free 0.245
8W07 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-402 Deposited 2024-02-13 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 305–546（242 aa）
Chain B 305–546（242 aa）
Mutation：L372S, L536S Mutation：L372S, L536S A1AHY (1R,2S,4R)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 1 A1AHZ (1S,2R,4S)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.83 Å R-free 0.218
8W07 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-402 Deposited 2024-02-13 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 C 305–546（242 aa）
Chain D 305–546（242 aa）
Mutation：L372S, L536S Mutation：L372S, L536S A1AHZ (1S,2R,4S)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.83 Å R-free 0.218
9B25 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with NA98 Deposited 2024-03-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 298–547（250 aa） Fragment：Ligand-binding domain
Chain B 298–547（250 aa） Fragment：Ligand-binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) A1AIZ (1r,4r)-N-[4-(4-{[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]oxy}phenoxy)butyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.45 Å R-free 0.223
9B25 Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with NA98 Deposited 2024-03-14 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 C 298–547（250 aa） Fragment：Ligand-binding domain
Chain D 298–547（250 aa） Fragment：Ligand-binding domain
Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L372S, L536S Non-standard monomer：Yes (specific site not provided by mmCIF) A1AIZ (1r,4r)-N-[4-(4-{[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]oxy}phenoxy)butyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl
Resolution 1.45 Å R-free 0.223
9B2B Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Complete Estrogen Receptor Antagonists that Favors Tetramer Formation Deposited 2024-03-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 301–554（254 aa）
Chain C 301–554（254 aa）
Not recorded A1AI0 2-chloro-3-{[{[1-(2-fluorophenyl)cyclopentyl]methyl}(4-{[1-(3-fluoropropyl)azetidin-3-yl]oxy}phenyl)amino]methyl}phenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；Ammonium acetate
Resolution 2.08 Å R-free 0.318
9B2B Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Complete Estrogen Receptor Antagonists that Favors Tetramer Formation Deposited 2024-03-14 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 B 301–554（254 aa）
Chain D 301–554（254 aa）
Not recorded A1AI0 2-chloro-3-{[{[1-(2-fluorophenyl)cyclopentyl]methyl}(4-{[1-(3-fluoropropyl)azetidin-3-yl]oxy}phenyl)amino]methyl}phenol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；Ammonium acetate
Resolution 2.08 Å R-free 0.318
9BPX Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with (1'-(4-((1-butylpyrrolidin-3-yl)methoxy)phenyl)-6'-hydroxy-1',4'-dihydro-2'<i>H</i>-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone Deposited 2024-05-08 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 305–554（250 aa）
Chain B 305–554（250 aa）
Not recorded HIS HISTIDINE × 1 TZI [(1'R)-1'-(4-{[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone × 1 A1BV9 [(1'R)-1'-(4-{[(3S)-1-(3-fluoropropyl)-2,3-dihydro-1H-pyrrol-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, MgCl2
Resolution 2.20 Å R-free 0.221
9BQE Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with (6'-hydroxy-1'-(4-(2-(1-propylpyrrolidin-3-yl)ethoxy)phenyl)-1',4'-dihydro-2'<i>H</i>-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone Deposited 2024-05-09 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 305–554（250 aa）
Chain B 305–554（250 aa）
Mutation：C381S, C417S, C530S, Y537S Mutation：C381S, C417S, C530S, Y537S TV3 [(1'R)-6'-hydroxy-1'-(4-{[(3R)-1-propylpyrrolidin-3-yl]methoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3,350, MgCl2
Resolution 1.98 Å R-free 0.267
9BU1 Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with (6'-hydroxy-1'-(4-((1-propylazetidin-3-yl)methoxy)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone Deposited 2024-05-16 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 306–554（249 aa）
Chain B 306–554（249 aa）
Mutation：C381S,C417S,C530S,Y537S Mutation：C381S,C417S,C530S,Y537S A1ASN [(1'R)-6'-hydroxy-1'-{4-[(1-propylazetidin-3-yl)methoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3350, MgCl2
Resolution 1.75 Å R-free 0.226
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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 307–549（243 aa）
Chain C 307–549（243 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
9I6S 14-3-3sigma binding to the ERa peptide and compound 28 Deposited 2025-01-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) A1I0P 2-chloranyl-~{N}-[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]-6-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide × 2 CA CALCIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.30 Å R-free 0.182
9I6T 14-3-3sigma binding to the ERa peptide and compound 32 Deposited 2025-01-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) A1I0Q 2-chloranyl-~{N}-[[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]methyl]ethanamide × 2 CA CALCIUM ION × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.30 Å R-free 0.154
9I6U 14-3-3sigma binding to the ERa peptide and compound 33 Deposited 2025-01-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) A1I0R 2-chloranyl-~{N}-[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]cyclohexyl]ethanamide × 2 CL CHLORIDE ION × 2 CA CALCIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.30 Å R-free 0.161
9I6V 14-3-3sigma binding to the ERa peptide and compound 40 Deposited 2025-01-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) A1I0S 2-chloranyl-~{N}-[4-[3-[(2,6-dimethylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]-3-fluoranyl-phenyl]ethanamide × 2 CA CALCIUM ION × 8 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.30 Å R-free 0.158
9I6W 14-3-3sigma binding to the ERa peptide and compound 41 Deposited 2025-01-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) A1I0T 2-chloranyl-~{N}-[4-[3-[(2,6-dimethylphenyl)amino]-6-methyl-imidazo[1,2-a]pyridin-2-yl]-3-fluoranyl-phenyl]ethanamide × 2 CL CHLORIDE ION × 2 CA CALCIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.30 Å R-free 0.172
9I6X 14-3-3sigma binding to the ERa peptide and compound 42 Deposited 2025-01-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) A1I0U 2-chloranyl-~{N}-[4-[6-chloranyl-3-[(2,6-dimethylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]-3-fluoranyl-phenyl]ethanamide × 2 CA CALCIUM ION × 8 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.30 Å R-free 0.163
9I6Y 14-3-3sigma binding to the ERa peptide and compound 1 Deposited 2025-01-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) A1I0V 2-chloranyl-~{N}-[4-[3-[(phenylmethyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide × 2 CA CALCIUM ION × 10 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.50 Å R-free 0.179
9I6Z 14-3-3sigma binding to the ERa peptide and compound 2 Deposited 2025-01-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) A1I0W 2-chloranyl-~{N}-[4-[3-[(2-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide × 2 CA CALCIUM ION × 12 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.40 Å R-free 0.157
9I70 14-3-3sigma binding to the ERa peptide and compound 17 Deposited 2025-01-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 8 A1I0X 2-chloranyl-~{N}-[4-[3-[(2,6-dimethylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.40 Å R-free 0.147
9I71 14-3-3sigma binding to the ERa peptide and compound 19 Deposited 2025-01-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) A1I0Y 2-chloranyl-~{N}-[4-[3-[(2-methoxy-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide × 2 CA CALCIUM ION × 8 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.35 Å R-free 0.162
9I72 14-3-3sigma binding to the ERa peptide and compound 10 Deposited 2025-01-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) A1I0Z 2-chloranyl-~{N}-[4-(3-phenylazanylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanamide × 2 CA CALCIUM ION × 8 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.35 Å R-free 0.164
9I73 14-3-3sigma binding to the ERa peptide and compound 20 Deposited 2025-01-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) A1I00 2-chloranyl-~{N}-[4-[3-[(2-fluoranyl-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide × 2 CA CALCIUM ION × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.40 Å R-free 0.154
9I74 14-3-3sigma binding to the ERa peptide and compound 21 Deposited 2025-01-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) A1I01 2-chloranyl-~{N}-[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide × 2 CA CALCIUM ION × 6 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.50 Å R-free 0.160
9I75 14-3-3sigma binding to the ERa peptide and compound 25 Deposited 2025-01-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 591–595（5 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 4 A1I02 2-chloranyl-~{N}-[4-[3-[(2,6-dimethyl-4-oxidanyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide × 2 CL CHLORIDE ION × 2 CA CALCIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400
Resolution 1.40 Å R-free 0.151
9SV3 Local refinement of EloB/EloC/VHL/CV2a/14-3-3zeta/ERa from pose 1 Deposited 2025-09-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 7 PDB declaration: heptameric
Chain G 302–595（294 aa）
Chain H 302–595（294 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) A1JQT ~{N}'-[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]-~{N}-[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]tridecanediamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.30 Å
9W11 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with beta-zearalenol Deposited 2025-07-25 Different construct 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 305–554（250 aa）
Chain B 305–554（250 aa）
Mutation：Y537S Mutation：Y537S ZHB (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one × 2 PEG DI(HYDROXYETHYL)ETHER × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；298 K；18% (w/v) PEG 3350, 0.25 M Ammonium sulfate, and 0.1 M HEPES pH 7.5
Resolution 1.83 Å R-free 0.226
9W12 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with ZOL-P Deposited 2025-07-25 Different construct 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 305–554（250 aa）
Chain B 305–554（250 aa）
Mutation：Y537S Mutation：Y537S A1ET8 (4S,8S,11S,12E)-4-methyl-8,11,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one × 2 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 4 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；18% (w/v) PEG 3350, 0.25 M Ammonium sulfate, and 0.1 M HEPES pH 7.5
Resolution 1.75 Å R-free 0.197
9W13 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with ZEN-P Deposited 2025-07-25 Different construct 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 305–554（250 aa）
Chain B 305–554（250 aa）
Mutation：Y537S Mutation：Y537S A1ET9 (4S,6R,12E)-4-methyl-6,16,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione × 2 PEG DI(HYDROXYETHYL)ETHER × 2 SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；18% (w/v) PEG 3350, 0.25 M Ammonium sulfate, and 0.1 M HEPES pH 7.5
Resolution 2.05 Å R-free 0.224

434 other PDB entries and 521 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name ESR1_HUMAN
Isoform P03372-3
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–257； UniProt 125–381 Author chain B； PDBConstruct 1–257； UniProt 125–381 Author chain E； PDBConstruct 1–257； UniProt 125–381 Author chain F； PDBConstruct 1–257； UniProt 125–381

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 5kra

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 5kra
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2. Structure Basics 2. Structure Basics

Entry ID entry_id5kra
Deposition date deposition_date2016-07-07
Structure title titleCrystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with DDT and DDE
Keywords keywordsNuclear receptor, transcription factor, ligand binding, protein-ligand complex, 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_guinier35.36 Å
Radius of gyration Rg (electron density) rg_electron34.85 Å
Forward intensity I(0) i0177378000.00
Molecular weight molecular_weight109660.0 kDa
Excluded volume excluded_volume138370 ų
Envelope volume envelope_volume173130 ų
Hydration-shell volume shell_volume41556 ų
Envelope diameter envelope_diameter124.5 Å
Shell Rg shell_rg40.94 Å
Envelope Rg envelope_rg34.72 Å
Shape Rg shape_rg34.86 Å
Total Rg total_rg35.25 Å
Total atoms total_atoms7650
Residues n_residues970
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 dmax115.8 Å
Rg (real space) rg_real35.46 Å
Rg uncertainty (real space) rg_real_error0.96 Å
I(0) (real space) i0_real1.7740e+08
I(0) uncertainty (real space) i0_real_error2.9450e+06
Rg (reciprocal space) rg_reciprocal35.40 Å
I(0) (reciprocal space) i0_reciprocal177400000.0000
Solution quality estimate total_estimate0.8718
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary33.4 Å
Skewness Skewness skewness0.366
Kurtosis Kurtosis kurtosis-0.595
Angular range angular_range— – 0.2250 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha71110000.0000
Real-space data points n_real_points46
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.840; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.944; Smooth: 0.865
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

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7. Fold Classification (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

Domain ID domain_id5kraA00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology565 — Retinoid X Receptor
Homologous superfamily homologous superfamily10 — Retinoid X Receptor
Domain ID domain_id5kraB00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology565 — Retinoid X Receptor
Homologous superfamily homologous superfamily10 — Retinoid X Receptor
Domain ID domain_id5kraE00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology565 — Retinoid X Receptor
Homologous superfamily homologous superfamily10 — Retinoid X Receptor
Domain ID domain_id5kraF00
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 (1)

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9. Files and Curves (10)