2QXS
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![BU of 2qxs by Molmil](/molmil-images/mine/2qxs) | Crystal Structure of Antagonizing Mutant 536S of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Raloxifene | Descriptor: | Estrogen receptor, RALOXIFENE | Authors: | Bruning, J.B, Gil, G, Nowak, J, Katzenellenbogen, J, Nettles, K.W. | Deposit date: | 2007-08-12 | Release date: | 2008-09-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Coupling of receptor conformation and ligand orientation determine graded activity. Nat.Chem.Biol., 6, 2010
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2QZO
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![BU of 2qzo by Molmil](/molmil-images/mine/2qzo) | Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with WAY-169916 | Descriptor: | 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Bruning, J.B, Gil, G, Nowak, J, Katzenellenbogen, J, Nettles, K.W. | Deposit date: | 2007-08-16 | Release date: | 2008-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Coupling of receptor conformation and ligand orientation determine graded activity. Nat.Chem.Biol., 6, 2010
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7RS2
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![BU of 7rs2 by Molmil](/molmil-images/mine/7rs2) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-23 | Descriptor: | (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, Estrogen receptor | Authors: | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2021-08-10 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
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8VZP
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![BU of 8vzp by Molmil](/molmil-images/mine/8vzp) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-403 | Descriptor: | (1S,2R,4S)-N-(2-hydroxyethyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor | Authors: | Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2024-02-12 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu. Proc.Natl.Acad.Sci.USA, 121, 2024
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6SUO
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![BU of 6suo by Molmil](/molmil-images/mine/6suo) | ERa_L536S (L536S/C381S/C471S,C530S) in complex with a tricyclic indole (compound 6) | Descriptor: | (~{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, Estrogen receptor | Authors: | Breed, J. | Deposit date: | 2019-09-16 | Release date: | 2019-10-30 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Building Bridges in a Series of Estrogen Receptor Degraders: An Application of Metathesis in Medicinal Chemistry. Acs Med.Chem.Lett., 10, 2019
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5FQV
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![BU of 5fqv by Molmil](/molmil-images/mine/5fqv) | Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 5. | Descriptor: | (E)-3-[4-(6-hydroxy-2-isobutyl-7-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR ALPHA | Authors: | Scott, J.S, bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D. | Deposit date: | 2015-12-14 | Release date: | 2016-02-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat. Acs Med.Chem.Lett., 7, 2016
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9BU1
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![BU of 9bu1 by Molmil](/molmil-images/mine/9bu1) | |
8VZQ
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![BU of 8vzq by Molmil](/molmil-images/mine/8vzq) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-406 | Descriptor: | (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, Estrogen receptor, NICKEL (II) ION | Authors: | Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2024-02-12 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu. Proc.Natl.Acad.Sci.USA, 121, 2024
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6SQ0
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4ZNV
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![BU of 4znv by Molmil](/molmil-images/mine/4znv) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Methoxy-substituted OBHS derivative | Descriptor: | 2-methoxyphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-05-05 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.771 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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7RS4
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![BU of 7rs4 by Molmil](/molmil-images/mine/7rs4) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-8 | Descriptor: | (2E)-3-{4-[(1E)-2-(2-chloro-4-fluorophenyl)-1-(2H-indazol-5-yl)but-1-en-1-yl]phenyl}prop-2-enoic acid, CHLORIDE ION, Estrogen receptor | Authors: | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2021-08-10 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
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7RRX
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![BU of 7rrx by Molmil](/molmil-images/mine/7rrx) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-19 | Descriptor: | (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, CHLORIDE ION, Estrogen receptor | Authors: | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2021-08-10 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
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7UJC
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2B1Z
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![BU of 2b1z by Molmil](/molmil-images/mine/2b1z) | Human estrogen receptor alpha ligand-binding domain in complex with 17methyl-17alpha-dihydroequilenin and a glucoc interacting protein 1 NR box II peptide | Descriptor: | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L. | Deposit date: | 2005-09-16 | Release date: | 2006-09-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Molecular characterization of a B-ring unsaturated estrogen: implications for conjugated equine estrogen components of premarin. Steroids, 73, 2008
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5KD9
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![BU of 5kd9 by Molmil](/molmil-images/mine/5kd9) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-trifluoroethyl 4-chlorobenzyl OBHS-N derivative | Descriptor: | (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, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-06-07 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
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7UJM
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![BU of 7ujm by Molmil](/molmil-images/mine/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 | Descriptor: | (5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor | Authors: | Hosfield, D.J, Greene, G.L, Fanning, S.W. | Deposit date: | 2022-03-31 | Release date: | 2022-06-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells. Elife, 11, 2022
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4MGA
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![BU of 4mga by Molmil](/molmil-images/mine/4mga) | Crystal structure of hERa-LBD (Y537S) in complex with 4-tert-octylphenol | Descriptor: | 4-(2,4,4-trimethylpentan-2-yl)phenol, Estrogen receptor, Nuclear receptor coactivator 1 | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | Deposit date: | 2013-08-28 | Release date: | 2014-09-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and functional profiling of environmental ligands for estrogen receptors. Environ.Health Perspect., 122, 2014
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6ZOQ
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![BU of 6zoq by Molmil](/molmil-images/mine/6zoq) | Oestrogen receptor ligand binding domain in complex with compound 16 | Descriptor: | Estrogen receptor, ~{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 | Authors: | Breed, J. | Deposit date: | 2020-07-07 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
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6VJD
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![BU of 6vjd by Molmil](/molmil-images/mine/6vjd) | |
6PSJ
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1XP1
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![BU of 1xp1 by Molmil](/molmil-images/mine/1xp1) | HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 15 | Descriptor: | (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, Estrogen receptor | Authors: | Fitzgerald, P.M.D, Sharma, N. | Deposit date: | 2004-10-07 | Release date: | 2004-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers. Bioorg.Med.Chem.Lett., 15, 2005
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8AV8
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![BU of 8av8 by Molmil](/molmil-images/mine/8av8) | Small molecular stabilizer for ERalpha and 14-3-3 (1075300) | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-(1-phenoxycyclopentyl)carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2022-08-26 | Release date: | 2023-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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8AWG
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![BU of 8awg by Molmil](/molmil-images/mine/8awg) | small molecule stabilizer for ERalpha and 14-3-3 (1074202) | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | Authors: | Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M. | Deposit date: | 2022-08-29 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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8AV3
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![BU of 8av3 by Molmil](/molmil-images/mine/8av3) | Small molecular stabilizer for ERalpha and 14-3-3 (1075299) | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2022-08-26 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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8AXE
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![BU of 8axe by Molmil](/molmil-images/mine/8axe) | Small molecule stabilizer for ERalpha and 14-3-3 (1074210) | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide, Estrogen receptor, ... | Authors: | Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M. | Deposit date: | 2022-08-31 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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