← Back to search
2i0g

Benzopyrans are Selective Estrogen Receptor beta Agonists (SERBAs) with Novel Activity in Models of Benign Prostatic Hyperplasia

Method: X-RAY DIFFRACTION Dmax: 68.9 Å Quality: GOOD
▼

1. Protein Identity and Related Structures Protein Identity & Related Structures

Estrogen receptor beta

Homo sapiens

UniProt Q92731

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 256–505 Chain B； UniProt 256–505 Not recorded 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, pH 8.0, 2M sodium chloride, 4% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 289K Resolution 2.50 Å R-free 0.271

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 2I0G Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1L2J Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R,R)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol 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 monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 256–505（250 aa） Fragment：ligand-binding domain (residues 256-505)
Not recorded ETC (R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；295 K；1.5-1.75 M Ammonium sulfate, 100 mM Sodium Acetate pH 4.8-5.2 294-296 K, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.95 Å R-free 0.299
1L2J Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R,R)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol 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 monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 256–505（250 aa） Fragment：ligand-binding domain (residues 256-505)
Not recorded ETC (R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；295 K；1.5-1.75 M Ammonium sulfate, 100 mM Sodium Acetate pH 4.8-5.2 294-296 K, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.95 Å R-free 0.299
1L2J Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R,R)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol Deposited 2002-02-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain B 256–505（250 aa） Fragment：ligand-binding domain (residues 256-505)
Not recorded ETC (R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；295 K；1.5-1.75 M Ammonium sulfate, 100 mM Sodium Acetate pH 4.8-5.2 294-296 K, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.95 Å R-free 0.299
1NDE Estrogen Receptor beta with Selective Triazine Modulator Deposited 2002-12-09 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 256–501（246 aa） Fragment：residues 256-501
Not recorded MON 4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；50mM PIPES pH6.5, 200 mM lithium sulfate, 8-12% PEG35000, 5% sucrose, VAPOR DIFFUSION, HANGING DROP, temperature 22K, temperature 295K
Resolution 3.00 Å R-free 0.273
1NDE Estrogen Receptor beta with Selective Triazine Modulator Deposited 2002-12-09 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 A 256–501（246 aa） Fragment：residues 256-501
Not recorded MON 4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；50mM PIPES pH6.5, 200 mM lithium sulfate, 8-12% PEG35000, 5% sucrose, VAPOR DIFFUSION, HANGING DROP, temperature 22K, temperature 295K
Resolution 3.00 Å R-free 0.273
1NDE Estrogen Receptor beta with Selective Triazine Modulator Deposited 2002-12-09 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 A 256–501（246 aa） Fragment：residues 256-501
Not recorded MON 4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；50mM PIPES pH6.5, 200 mM lithium sulfate, 8-12% PEG35000, 5% sucrose, VAPOR DIFFUSION, HANGING DROP, temperature 22K, temperature 295K
Resolution 3.00 Å R-free 0.273
1QKM HUMAN OESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH PARTIAL AGONIST GENISTEIN Deposited 1999-07-27 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 255–509（255 aa） Fragment：LIGAND-BINDING DOMAIN
Not recorded GEN GENISTEIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.1；6-9% (W/V) PEG 6000, 1.6-2.1M NACL, 0.1M TRIS-HCL, PH 8.1
Resolution 1.80 Å R-free 0.252
1U3Q Crystal Structure of Estrogen Receptor beta complexed with CL-272 Deposited 2004-07-22 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 261–500（240 aa）
Chain C 261–500（240 aa）
Not recorded 272 4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；PEG2000, MgCl, hexaminecobalt trichloride, MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.40 Å R-free 0.279
1U3Q Crystal Structure of Estrogen Receptor beta complexed with CL-272 Deposited 2004-07-22 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 261–500（240 aa）
Chain D 261–500（240 aa）
Not recorded 272 4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；PEG2000, MgCl, hexaminecobalt trichloride, MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.40 Å R-free 0.279
1U3R Crystal Structure of Estrogen Receptor beta complexed with WAY-338 Deposited 2004-07-22 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 261–501（241 aa）
Chain B 261–501（241 aa）
Not recorded 338 2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.9；291 K；PEG3350, Mg formate, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.21 Å R-free 0.267
1U3S Crystal Structure of Estrogen Receptor beta complexed with WAY-797 Deposited 2004-07-22 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 261–500（240 aa）
Chain B 261–500（240 aa）
Not recorded 797 3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.9；291 K；PEG3350, Mg formate , pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.50 Å R-free 0.250
1U9E CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH WAY-397 Deposited 2004-08-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 261–501（241 aa）
Not recorded 397 2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；PEG3350, Mg formate , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.40 Å R-free 0.279
1U9E CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH WAY-397 Deposited 2004-08-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 261–501（241 aa）
Not recorded 397 2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；PEG3350, Mg formate , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.40 Å R-free 0.279
1U9E CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH WAY-397 Deposited 2004-08-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 261–501（241 aa）
Chain B 261–501（241 aa）
Not recorded 397 2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；PEG3350, Mg formate , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.40 Å R-free 0.279
1X76 CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH WAY-697 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 261–500（240 aa）
Chain B 261–500（240 aa）
Not recorded 697 5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.9；291 K；PEG3350, Mg Formate, pH 5.90, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.20 Å R-free 0.265
1X78 CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA 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 261–500（240 aa）
Chain B 261–500（240 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 5.9；291 K；PEG3350, Mg Formate, pH 5.90, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.30 Å R-free 0.270
1X7B CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH ERB-041 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 261–500（240 aa）
Chain B 261–500（240 aa）
Not recorded 041 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；PEG3350, Mg Formate, pH 6.00, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.30 Å R-free 0.266
1X7J CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH GENISTEIN Deposited 2004-08-14 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 261–500（240 aa）
Chain B 261–500（240 aa）
Not recorded GEN GENISTEIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；PEG2000, MgCL., pH 6.00, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.30 Å R-free 0.282
1ZAF Crystal structure of estrogen receptor beta complexed with 3-Bromo-6-hydroxy-2-(4-hydroxy-phenyl)-inden-1-one Deposited 2005-04-06 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 263–500（238 aa）
Chain B 263–500（238 aa）
Not recorded 789 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；291 K；15% PEG3350, 0.2M Mg Acetate, pH 7.5, VAPOR DIFFUSION, temperature 291K
Resolution 2.20 Å R-free 0.286
2FSZ A second binding site for hydroxytamoxifen within the coactivator-binding groove of estrogen receptor beta Deposited 2006-01-23 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 257–502（246 aa） Fragment：ligand-binding domain
Chain B 257–502（246 aa） Fragment：ligand-binding domain
Mutation：C334S, C369S, C481S Mutation：C334S, C369S, C481S OHT 4-HYDROXYTAMOXIFEN × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；295 K；0.1M sodium citrate, 1.5M sodium chloride, 4% ethylene imine, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.20 Å R-free 0.299
2FSZ A second binding site for hydroxytamoxifen within the coactivator-binding groove of estrogen receptor beta Deposited 2006-01-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric
Chain A 257–502（246 aa） Fragment：ligand-binding domain
Chain B 257–502（246 aa） Fragment：ligand-binding domain
Mutation：C334S, C369S, C481S Mutation：C334S, C369S, C481S OHT 4-HYDROXYTAMOXIFEN × 16 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；295 K；0.1M sodium citrate, 1.5M sodium chloride, 4% ethylene imine, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.20 Å R-free 0.299
2GIU Human estrogen receptor beta ligand-binding domain in complex with compound 45 Deposited 2006-03-29 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 260–500（241 aa） Fragment：LIGAND-BINDING DOMAIN (Residues 260-500)
Not recorded FBR (9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；298 K；Precipitant 1.8 M NaCl, 6% PEG 6000, 3% isopropanol, 50 mM Tris buffer pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.20 Å R-free 0.323
2JJ3 Estrogen receptor beta ligand binding domain in complex with a Benzopyran agonist Deposited 2007-07-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 256–505（250 aa） Fragment：LIGAND-BINDING DOMAIN, RESIDUES 256-505
Chain B 256–505（250 aa） Fragment：LIGAND-BINDING DOMAIN, RESIDUES 256-505
Not recorded 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 pH 8；2M NACL, 9% PEG 6,000, 100MM TRIS PH 8.0
Resolution 2.28 Å R-free 0.255
2NV7 Crystal Structure of Estrogen Receptor Beta Complexed with WAY-555 Deposited 2006-11-10 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 263–500（238 aa）
Chain B 263–500（238 aa）
Not recorded 555 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；precipitant: PEG3350, Mg formate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.10 Å R-free 0.265
2QTU Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand Deposited 2007-08-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 256–505（250 aa） Fragment：ligand binding domain
Chain B 256–505（250 aa） Fragment：ligand binding domain
Not recorded 3AS (3aS,4R,9bR)-2,2-difluoro-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；pH 8；289 K；0.1 M Tris-HCl, 2 M NaCl, 4% PEG 6000, pH 8.0, VAPOR DIFFUSION, temperature 289K
Resolution 2.53 Å R-free 0.279
2YJD Stapled peptide bound to Estrogen Receptor Beta Deposited 2011-05-19 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 261–500（240 aa） Fragment：LIGAND-BINDING DOMAIN, RESIDUES 261-500
Chain B 261–500（240 aa） Fragment：LIGAND-BINDING DOMAIN, RESIDUES 261-500
Not recorded YJD 4-(2-PROPAN-2-YLOXYBENZIMIDAZOL-1-YL)PHENOL × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.93 Å R-free 0.260
2YLY Sulfonamides as selective Estrogen Receptor beta Agonists. Deposited 2011-06-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 260–500（241 aa） Fragment：LIGAND BINDING DOMAIN, RESIDUES 260-500
Chain B 260–500（241 aa） Fragment：LIGAND BINDING DOMAIN, RESIDUES 260-500
Not recorded SU4 N-cyclopropyl-4-oxidanyl-N-[(2R)-2-oxidanyl-2-phenyl-propyl]benzenesulfonamide × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.20 Å R-free 0.275
2Z4B Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand Deposited 2007-06-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 256–505（250 aa） Fragment：ligand-binding domain (Residues 251-505)
Chain B 256–505（250 aa） Fragment：ligand-binding domain (Residues 251-505)
Not recorded 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；pH 8；289 K；0.1M Tris, pH 8.0, 2M sodium chloride, 4% PEG 6000, VAPOR DIFFUSION, temperature 289.0K
Resolution 2.34 Å R-free 0.253
3OLL Crystal structure of phosphorylated estrogen receptor beta ligand binding domain Deposited 2010-08-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 261–500（240 aa） Fragment：Ligand Binding Domain (UNP residues 261-500)
Non-standard monomer：Yes (specific site not provided by mmCIF) EST ESTRADIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
Resolution 1.50 Å R-free 0.208
3OLL Crystal structure of phosphorylated estrogen receptor beta ligand binding domain Deposited 2010-08-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 261–500（240 aa） Fragment：Ligand Binding Domain (UNP residues 261-500)
Non-standard monomer：Yes (specific site not provided by mmCIF) EST ESTRADIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
Resolution 1.50 Å R-free 0.208
3OLL Crystal structure of phosphorylated estrogen receptor beta ligand binding domain Deposited 2010-08-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 261–500（240 aa） Fragment：Ligand Binding Domain (UNP residues 261-500)
Chain B 261–500（240 aa） Fragment：Ligand Binding Domain (UNP residues 261-500)
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) EST ESTRADIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
Resolution 1.50 Å R-free 0.208
3OLS Crystal structure of estrogen receptor beta ligand binding domain Deposited 2010-08-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 261–500（240 aa） Fragment：Ligand Binding Domain (UNP residues 261-500)
Not recorded EST ESTRADIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
Resolution 2.20 Å R-free 0.266
3OLS Crystal structure of estrogen receptor beta ligand binding domain Deposited 2010-08-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 261–500（240 aa） Fragment：Ligand Binding Domain (UNP residues 261-500)
Not recorded EST ESTRADIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
Resolution 2.20 Å R-free 0.266
3OLS Crystal structure of estrogen receptor beta ligand binding domain Deposited 2010-08-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 261–500（240 aa） Fragment：Ligand Binding Domain (UNP residues 261-500)
Chain B 261–500（240 aa） Fragment：Ligand Binding Domain (UNP residues 261-500)
Not recorded EST ESTRADIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
Resolution 2.20 Å R-free 0.266
3OMO Fragment-Based Design of novel Estrogen Receptor Ligands Deposited 2010-08-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 261–500（240 aa） Fragment：Ligand Binding Domain (UNP residues 261-500)
Not recorded WV7 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
Resolution 2.21 Å R-free 0.264
3OMO Fragment-Based Design of novel Estrogen Receptor Ligands Deposited 2010-08-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 261–500（240 aa） Fragment：Ligand Binding Domain (UNP residues 261-500)
Not recorded WV7 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
Resolution 2.21 Å R-free 0.264
3OMO Fragment-Based Design of novel Estrogen Receptor Ligands Deposited 2010-08-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 261–500（240 aa） Fragment：Ligand Binding Domain (UNP residues 261-500)
Chain B 261–500（240 aa） Fragment：Ligand Binding Domain (UNP residues 261-500)
Not recorded WV7 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
Resolution 2.21 Å R-free 0.264
3OMP Fragment-Based Design of novel Estrogen Receptor Ligands Deposited 2010-08-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 261–500（240 aa） Fragment：Ligand Binding Domain (UNP residues 261-500)
Not recorded W14 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
Resolution 2.05 Å R-free 0.255
3OMP Fragment-Based Design of novel Estrogen Receptor Ligands Deposited 2010-08-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 261–500（240 aa） Fragment：Ligand Binding Domain (UNP residues 261-500)
Not recorded W14 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
Resolution 2.05 Å R-free 0.255
3OMP Fragment-Based Design of novel Estrogen Receptor Ligands Deposited 2010-08-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 261–500（240 aa） Fragment：Ligand Binding Domain (UNP residues 261-500)
Chain B 261–500（240 aa） Fragment：Ligand Binding Domain (UNP residues 261-500)
Not recorded W14 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
Resolution 2.05 Å R-free 0.255
3OMQ Fragment-Based Design of novel Estrogen Receptor Ligands Deposited 2010-08-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 261–500（240 aa） Fragment：Ligand Binding Domain (UNP residues 261-500)
Not recorded W23 2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
Resolution 1.97 Å R-free 0.260
3OMQ Fragment-Based Design of novel Estrogen Receptor Ligands Deposited 2010-08-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 261–500（240 aa） Fragment：Ligand Binding Domain (UNP residues 261-500)
Not recorded W23 2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
Resolution 1.97 Å R-free 0.260
3OMQ Fragment-Based Design of novel Estrogen Receptor Ligands Deposited 2010-08-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 261–500（240 aa） Fragment：Ligand Binding Domain (UNP residues 261-500)
Chain B 261–500（240 aa） Fragment：Ligand Binding Domain (UNP residues 261-500)
Not recorded W23 2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277.15 K；0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 5.5, 17% PEG10000 (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
Resolution 1.97 Å R-free 0.260
4J24 Estrogen Receptor in complex with proline-flanked LXXLL peptides Deposited 2013-02-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 261–500（240 aa） Fragment：;Ligand Binding Domain, UNP residue 261-500' ;
Not recorded EST ESTRADIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4.5；277 K；0.2M Magnesium acetate, 20%(w/v) PEG3350, pH 4.5, VAPOR DIFFUSION, temperature 277K
Resolution 2.10 Å R-free 0.224
4J24 Estrogen Receptor in complex with proline-flanked LXXLL peptides Deposited 2013-02-04 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 261–500（240 aa） Fragment：;Ligand Binding Domain, UNP residue 261-500' ;
Not recorded EST ESTRADIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4.5；277 K；0.2M Magnesium acetate, 20%(w/v) PEG3350, pH 4.5, VAPOR DIFFUSION, temperature 277K
Resolution 2.10 Å R-free 0.224
4J24 Estrogen Receptor in complex with proline-flanked LXXLL peptides Deposited 2013-02-04 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 C 261–500（240 aa） Fragment：;Ligand Binding Domain, UNP residue 261-500' ;
Not recorded EST ESTRADIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4.5；277 K；0.2M Magnesium acetate, 20%(w/v) PEG3350, pH 4.5, VAPOR DIFFUSION, temperature 277K
Resolution 2.10 Å R-free 0.224
4J24 Estrogen Receptor in complex with proline-flanked LXXLL peptides Deposited 2013-02-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 261–500（240 aa） Fragment：;Ligand Binding Domain, UNP residue 261-500' ;
Not recorded EST ESTRADIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4.5；277 K；0.2M Magnesium acetate, 20%(w/v) PEG3350, pH 4.5, VAPOR DIFFUSION, temperature 277K
Resolution 2.10 Å R-free 0.224
4J26 Estrogen Receptor in complex with proline-flanked LXXLL peptides Deposited 2013-02-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 261–500（240 aa） Fragment：Ligand Binding Domain, UNP residues 261-500
Not recorded EST ESTRADIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5；277 K；10%-20% PEG6000, 0.6M-2M LiCl, 100mM Citric Acid, pH 5.0, VAPOR DIFFUSION, temperature 277K
Resolution 2.30 Å R-free 0.242
4J26 Estrogen Receptor in complex with proline-flanked LXXLL peptides Deposited 2013-02-04 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 261–500（240 aa） Fragment：Ligand Binding Domain, UNP residues 261-500
Not recorded EST ESTRADIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5；277 K；10%-20% PEG6000, 0.6M-2M LiCl, 100mM Citric Acid, pH 5.0, VAPOR DIFFUSION, temperature 277K
Resolution 2.30 Å R-free 0.242
4ZI1 HUMAN ESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH KB095285 AND CIA12 COACTIVATOR PEPTIDE Deposited 2015-04-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 262–509（248 aa） Fragment：LIGAND BINDING DOMAIN, UNP residues 262-509
Not recorded KB0 2-(4-hydroxyphenyl)-7-methyl-3-phenyl-1H-inden-5-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.2；293 K；10.5% (W/V) P6000, 1.75M NACL 0.1 M MES, PH 5.2, 12.5% (V/V) GLYCEROL, 2 TIMES EXCESS OF CIA12 PEPTIDE
Resolution 2.10 Å R-free 0.223
5TOA Crystal Structure of ER beta bound to Estradiol Deposited 2016-10-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 262–509（248 aa） Fragment：UNP residues 262-509
Chain B 262–509（248 aa） Fragment：UNP residues 262-509
Not recorded EST ESTRADIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；292 K；0.1 M Na-citrate, 10% [w/v] PEG-4000, 10% [v/v] isopropanol
Resolution 2.50 Å R-free 0.244
7XVY Human Estrogen Receptor beta Ligand-binding Domain in Complex with S-DPN Deposited 2022-05-25 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 261–500（240 aa） Fragment：ligand-binding domain
Chain B 261–500（240 aa） Fragment：ligand-binding domain
Mutation：C334S, C369S, C481S Mutation：C334S, C369S, C481S I0K (2~{S})-2,3-bis(4-hydroxyphenyl)propanenitrile × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；16-20% PEG3350, 100 mM BisTris pH6.5, 200 mM Magnesium Acetate
Resolution 1.54 Å R-free 0.237
7XVZ Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R)-3-(2-chloro-4-hydroxyphenyl)-2-(4-hydroxyphenyl)propanenitrile Deposited 2022-05-25 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 261–500（240 aa） Fragment：ligand-binding domain
Chain B 261–500（240 aa） Fragment：ligand-binding domain
Mutation：C334S,C369S,C481S Mutation：C334S,C369S,C481S I1D (2~{R})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；16-20% PEG3350, 100 mM BisTris pH6.5, 200 mM Magnesium Acetate
Resolution 2.08 Å R-free 0.307
7XWP Human Estrogen Receptor beta Ligand-binding Domain in Complex with (S)-3-(2-chloro-4-hydroxyphenyl)-2-(4-hydroxyphenyl)propanenitrile Deposited 2022-05-27 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 261–500（240 aa） Fragment：ligand-binding domain
Chain B 261–500（240 aa） Fragment：ligand-binding domain
Mutation：C334S,C369S,C481S Mutation：C334S,C369S,C481S I1I (2~{S})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；16-20% PEG3350, 100 mM BisTris pH6.5, 200 mM Magnesium Acetate
Resolution 1.92 Å R-free 0.255
7XWQ Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R)-2-(2-chloro-4-hydroxyphenyl)-3-(4-hydroxyphenyl)propanenitrile Deposited 2022-05-27 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 261–500（240 aa） Fragment：ligand-binding domain
Chain B 261–500（240 aa） Fragment：ligand-binding domain
Mutation：C334S,C369S,C481S Mutation：C334S,C369S,C481S I1M (2~{R})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；16-20% PEG3350, 100 mM BisTris pH6.5, 200 mM Magnesium Acetate
Resolution 1.89 Å R-free 0.239
7XWR Human Estrogen Receptor beta Ligand-binding Domain in Complex with (S)-2-(2-chloro-4-hydroxyphenyl)-3-(4-hydroxyphenyl)propanenitrile Deposited 2022-05-27 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 261–500（240 aa） Fragment：ligand-binding domain
Chain B 261–500（240 aa） Fragment：ligand-binding domain
Mutation：C334S,C369S,C481S Mutation：C334S,C369S,C481S I2B (2~{S})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；16-20% PEG3350, 100 mM BisTris pH6.5, 200 mM Magnesium Acetate
Resolution 2.16 Å R-free 0.318
9EBL Crystal structure of the hERbeta LBD complexed with androstenediol and SRC 2-2 peptide (crystal form 1) Deposited 2024-11-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: octameric
Chain A 262–500（239 aa）
Chain B 262–500（239 aa）
Chain E 262–500（239 aa）
Chain F 262–500（239 aa）
Not recorded B81 (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289.15 K；0.1 M sodium HEPES pH 7.5, 22% w/v PEG 5000 MME
Resolution 2.20 Å R-free 0.277
9ECF Crystal structure of the hERbeta LBD complexed with androstenediol and SRC 2-2 peptide (crystal form 2) Deposited 2024-11-14 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain E 261–500（240 aa）
Chain F 261–500（240 aa）
Not recorded B81 (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289.15 K；0.2 M ammonium acetate, 0.1 M Bis-Tris pH 5.5, 25% w/v PEG 3350
Resolution 2.00 Å R-free 0.278
9ECF Crystal structure of the hERbeta LBD complexed with androstenediol and SRC 2-2 peptide (crystal form 2) Deposited 2024-11-14 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 261–500（240 aa）
Chain B 261–500（240 aa）
Not recorded B81 (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289.15 K；0.2 M ammonium acetate, 0.1 M Bis-Tris pH 5.5, 25% w/v PEG 3350
Resolution 2.00 Å R-free 0.278
9ECF Crystal structure of the hERbeta LBD complexed with androstenediol and SRC 2-2 peptide (crystal form 2) Deposited 2024-11-14 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain I 261–500（240 aa）
Chain J 261–500（240 aa）
Not recorded B81 (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289.15 K；0.2 M ammonium acetate, 0.1 M Bis-Tris pH 5.5, 25% w/v PEG 3350
Resolution 2.00 Å R-free 0.278
9ECF Crystal structure of the hERbeta LBD complexed with androstenediol and SRC 2-2 peptide (crystal form 2) Deposited 2024-11-14 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain M 261–500（240 aa）
Chain N 261–500（240 aa）
Not recorded B81 (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289.15 K；0.2 M ammonium acetate, 0.1 M Bis-Tris pH 5.5, 25% w/v PEG 3350
Resolution 2.00 Å R-free 0.278

36 other PDB entries and 61 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name ESR2_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 8–257； UniProt 256–505 Author chain B； PDBConstruct 8–257； UniProt 256–505

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

SAXS scattering curve SAXS Profile

SAXS profile for 2i0g

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 2i0g
Download Download
▼

2. Structure Basics 2. Structure Basics

Entry ID entry_id2i0g
Deposition date deposition_date2006-08-10
Structure title titleBenzopyrans are Selective Estrogen Receptor beta Agonists (SERBAs) with Novel Activity in Models of Benign Prostatic Hyperplasia
Keywords keywordsnuclear receptor, ligand binding domain, TRANSCRIPTION; TRANSCRIPTION
Experimental Method methodX-RAY DIFFRACTION
▼

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier22.43 Å
Radius of gyration Rg (electron density) rg_electron21.38 Å
Forward intensity I(0) i037796100.00
Molecular weight molecular_weight50299.0 kDa
Excluded volume excluded_volume64235 ų
Envelope volume envelope_volume73895 ų
Hydration-shell volume shell_volume27654 ų
Envelope diameter envelope_diameter70.0 Å
Shell Rg shell_rg29.08 Å
Envelope Rg envelope_rg21.62 Å
Shape Rg shape_rg21.40 Å
Total Rg total_rg22.26 Å
Total atoms total_atoms3515
Residues n_residues443
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
▼

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax68.9 Å
Rg (real space) rg_real22.28 Å
Rg uncertainty (real space) rg_real_error0.28 Å
I(0) (real space) i0_real3.7800e+07
I(0) uncertainty (real space) i0_real_error4.3260e+05
Rg (reciprocal space) rg_reciprocal22.31 Å
I(0) (reciprocal space) i0_reciprocal37800000.0000
Solution quality estimate total_estimate0.8995
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary28.2 Å
Skewness Skewness skewness0.119
Kurtosis Kurtosis kurtosis-0.490
Angular range angular_range— – 0.3550 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha13940000.0000
Real-space data points n_real_points67
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.909; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.976; Smooth: 0.986
▶

5. Crystallography and Experiment 5. Crystallography & Experiment

▶

6. Entities and Polymers Entities & Polymers (3)

▼

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd2i0ga_
Class classa — All alpha proteins
Fold Fold folda.123 — Nuclear receptor ligand-binding domain
Superfamily Superfamily superfamilya.123.1 — Nuclear receptor ligand-binding domain
Family Family familya.123.1.1 — Nuclear receptor ligand-binding domain
Domain ID domain_idd2i0gb_
Class classa — All alpha proteins
Fold Fold folda.123 — Nuclear receptor ligand-binding domain
Superfamily Superfamily superfamilya.123.1 — Nuclear receptor ligand-binding domain
Family Family familya.123.1.1 — Nuclear receptor ligand-binding domain

CATH v4.4 (2 domains)

Domain ID domain_id2i0gA00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology565 — Retinoid X Receptor
Homologous superfamily homologous superfamily10 — Retinoid X Receptor
Domain ID domain_id2i0gB00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology565 — Retinoid X Receptor
Homologous superfamily homologous superfamily10 — Retinoid X Receptor
▶

8. Citations (1)

▶

9. Files and Curves (10)