Estrogen receptor
Homo sapiens
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain A； UniProt 299–554 Chain F； UniProt 299–554 | 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 |
| 2 | Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain B； UniProt 299–554 Chain E； UniProt 299–554 | 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 |
| 3 | Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain C； UniProt 299–554 Chain G； UniProt 299–554 | 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 |
| 4 | Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain D； UniProt 299–554 Chain H； UniProt 299–554 | 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 |
| 5 | Protein homooligomer Homooligomer Protein × 8 PDB declaration: octameric（8） Consistent with protein copy count | Chain A； UniProt 299–554 Chain B； UniProt 299–554 Chain C； UniProt 299–554 Chain D； UniProt 299–554 Chain E； UniProt 299–554 Chain F； UniProt 299–554 Chain G； UniProt 299–554 Chain H； UniProt 299–554 | 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 |
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 4Q50 | 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 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 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 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 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 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 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 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 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 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 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 oligomeric state 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 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 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 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 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 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 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 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 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 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 oligomeric state 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 oligomeric state 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 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 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 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 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 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 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 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 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 oligomeric state 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 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 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 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 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 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 oligomeric state 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 oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 oligomeric state 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 mutation/modification Different oligomeric state 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 mutation/modification Different oligomeric state 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 mutation/modification Different oligomeric state 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 mutation/modification Different oligomeric state 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 oligomeric state 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 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 oligomeric state 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 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 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 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 oligomeric state 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 oligomeric state 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 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 oligomeric state 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 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 mutation/modification Different oligomeric state 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 oligomeric state 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 oligomeric state 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 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 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 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 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 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 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 oligomeric state 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 oligomeric state 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 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 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 oligomeric state 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 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 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 oligomeric state 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain 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 mutation/modification Different oligomeric state 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 mutation/modification Different oligomeric state 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 mutation/modification Different oligomeric state 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain 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 mutation/modification Different oligomeric state 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 mutation/modification Different oligomeric state 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 mutation/modification Different oligomeric state 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 mutation/modification Different oligomeric state 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 mutation/modification Different oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 mutation/modification Different oligomeric state 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 mutation/modification Different oligomeric state 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 mutation/modification Different oligomeric state 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 oligomeric state 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 oligomeric state 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 |
| 4TUZ Crystal structure of hERa-LBD (Y537S) in complex with alpha-zearalenol Deposited 2014-06-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain 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 oligomeric state 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 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 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions 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 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 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 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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 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 mutation/modification Different oligomeric state 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 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 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 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 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 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 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 mutation/modification Different oligomeric state 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 oligomeric state 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 construct Different mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 |
| 5KRA Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with DDT and DDE Deposited 2016-07-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
125–381（257 aa）
Fragment：ligand-binding domain
Chain B
125–381（257 aa）
Fragment：ligand-binding domain
|
Mutation：Y537S Mutation：Y537S | 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 |
| 5KRA Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with DDT and DDE Deposited 2016-07-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain E
125–381（257 aa）
Fragment：ligand-binding domain
Chain F
125–381（257 aa）
Fragment：ligand-binding domain
|
Mutation：Y537S Mutation：Y537S | 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 |
| 5KRC Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Zearalenone Deposited 2016-07-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain 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 construct Different mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 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 oligomeric state 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 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 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 construct Different mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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）
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 construct Different mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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）
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 mutation/modification Different oligomeric state 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 (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 mutation/modification Different oligomeric state 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 (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 mutation/modification Different oligomeric state 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 (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 mutation/modification Different oligomeric state 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 (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 mutation/modification Different oligomeric state 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 (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 mutation/modification Different oligomeric state 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 (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 mutation/modification Different oligomeric state 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 (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 mutation/modification Different oligomeric state 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 (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 mutation/modification Different oligomeric state 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 (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 mutation/modification Different oligomeric state 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 (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 mutation/modification Different oligomeric state 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 (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 mutation/modification Different oligomeric state 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 (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 mutation/modification Different oligomeric state 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 (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 mutation/modification Different oligomeric state 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 (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 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 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 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 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 mutation/modification Different ligand/ion Different experimental conditions 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 mutation/modification Different ligand/ion Different experimental conditions 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 mutation/modification Different ligand/ion Different experimental conditions 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 mutation/modification Different oligomeric state 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）
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 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 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 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 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 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 oligomeric state 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 oligomeric state 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 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 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 oligomeric state 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 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 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 mutation/modification Different oligomeric state 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 mutation/modification Different oligomeric state 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 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 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 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 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 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 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 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 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 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 oligomeric state 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 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 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 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 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 oligomeric state 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 mutation/modification 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 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 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 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 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 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 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 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 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 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 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 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 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 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 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 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 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 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 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 oligomeric state 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 mutation/modification Different oligomeric state 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 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 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 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 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 mutation/modification 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 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 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 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 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 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 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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 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 mutation/modification 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 518 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | ESR1_HUMAN |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 5–260； UniProt 299–554 Author chain B； PDBConstruct 5–260； UniProt 299–554 Author chain C； PDBConstruct 5–260； UniProt 299–554 Author chain D； PDBConstruct 5–260； UniProt 299–554 Author chain E； PDBConstruct 5–260； UniProt 299–554 Author chain F； PDBConstruct 5–260； UniProt 299–554 Author chain G； PDBConstruct 5–260； UniProt 299–554 Author chain H； PDBConstruct 5–260； UniProt 299–554 |
