5Q0M
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![BU of 5q0m by Molmil](/molmil-images/mine/5q0m) | Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | 5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic acid, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-05-31 | 公開日 | 2017-07-05 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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2HC4
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![BU of 2hc4 by Molmil](/molmil-images/mine/2hc4) | Crystal structure of the LBD of VDR of Danio rerio in complex with calcitriol | 分子名称: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, SRC-1 from Nuclear receptor coactivator 1, Vitamin D receptor | 著者 | Ciesielski, F, Rochel, N, Moras, D. | 登録日 | 2006-06-15 | 公開日 | 2007-05-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Adaptability of the Vitamin D nuclear receptor to the synthetic ligand Gemini: remodelling the LBP with one side chain rotation J.Steroid Biochem.Mol.Biol., 103, 2007
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2GIU
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![BU of 2giu by Molmil](/molmil-images/mine/2giu) | |
2Q59
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5Q0Y
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![BU of 5q0y by Molmil](/molmil-images/mine/5q0y) | Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | (2S)-N,2-dicyclohexyl-2-{5,6-difluoro-2-[6-(1H-pyrazol-1-yl)pyridin-3-yl]-1H-benzimidazol-1-yl}acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-05-31 | 公開日 | 2017-07-05 | 最終更新日 | 2021-11-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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1S9Q
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![BU of 1s9q by Molmil](/molmil-images/mine/1s9q) | crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in complex with 4-hydroxytamoxifen | 分子名称: | 4-HYDROXYTAMOXIFEN, CHOLIC ACID, Estrogen-related receptor gamma | 著者 | Greschik, H, Flaig, R, Renaud, J.P, Moras, D. | 登録日 | 2004-02-05 | 公開日 | 2004-06-08 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural Basis for the Deactivation of the Estrogen-related Receptor {gamma} by Diethylstilbestrol or 4-Hydroxytamoxifen and Determinants of Selectivity. J.Biol.Chem., 279, 2004
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2AA7
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![BU of 2aa7 by Molmil](/molmil-images/mine/2aa7) | Mineralocorticoid Receptor with Bound Deoxycorticosterone | 分子名称: | DESOXYCORTICOSTERONE, GLYCEROL, Mineralocorticoid receptor, ... | 著者 | Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P. | 登録日 | 2005-07-13 | 公開日 | 2005-07-26 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor J.Biol.Chem., 280, 2005
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1T73
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![BU of 1t73 by Molmil](/molmil-images/mine/1t73) | Crystal structure of the androgen receptor ligand binding domain in complex with a FxxFF motif | 分子名称: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, FxxFF motif peptide, ... | 著者 | Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J. | 登録日 | 2004-05-07 | 公開日 | 2004-08-31 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Recognition and accommodation at the androgen receptor coactivator binding interface. Plos Biol., 2, 2004
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3D57
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![BU of 3d57 by Molmil](/molmil-images/mine/3d57) | TR Variant D355R | 分子名称: | SULFATE ION, Thyroid hormone receptor beta, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID | 著者 | Jouravel, N. | 登録日 | 2008-05-15 | 公開日 | 2008-10-14 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Molecular basis for dimer formation of TRbeta variant D355R. Proteins, 75, 2008
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3OLS
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![BU of 3ols by Molmil](/molmil-images/mine/3ols) | Crystal structure of estrogen receptor beta ligand binding domain | 分子名称: | ESTRADIOL, Estrogen receptor beta, Nuclear receptor coactivator 1 | 著者 | Moecklinghoff, S, Rose, R, Carraz, M, Visser, A, Ottmann, C, Brunsveld, L. | 登録日 | 2010-08-26 | 公開日 | 2010-11-17 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Synthesis and crystal structure of a phosphorylated estrogen receptor ligand binding domain. Chembiochem, 11, 2010
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3GWS
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![BU of 3gws by Molmil](/molmil-images/mine/3gws) | Crystal Structure of T3-Bound Thyroid Hormone Receptor | 分子名称: | 3,5,3'TRIIODOTHYRONINE, Thyroid hormone receptor beta | 著者 | Nascimento, A.S, Dias, S.M.G, Nunes, F.M, Aparicio, R, Polikarpov, I, Baxter, J.D, Webb, P. | 登録日 | 2009-04-01 | 公開日 | 2009-04-28 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural rearrangements in the thyroid hormone receptor hinge domain and their putative role in the receptor function J.Mol.Biol., 360, 2006
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6LOC
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4PP6
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![BU of 4pp6 by Molmil](/molmil-images/mine/4pp6) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Resveratrol | 分子名称: | Estrogen receptor, Nuclear receptor coactivator 2, RESVERATROL | 著者 | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Parent, A.A, Hughes, T.S, Pollock, J.A, Gjyshi, O, Cavett, V, Nowak, J, Garcia-Ordonez, R.D, Houtman, R, Griffin, P.R, Kojetin, D.J, Katzenellenbogen, J.A, Conkright, M.D, Nettles, K.W. | 登録日 | 2014-02-26 | 公開日 | 2014-05-07 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.201 Å) | 主引用文献 | Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network. Elife, 3, 2014
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5DXP
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![BU of 5dxp by Molmil](/molmil-images/mine/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 | 分子名称: | 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | 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. | 登録日 | 2015-09-23 | 公開日 | 2016-05-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.201 Å) | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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4WPF
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![BU of 4wpf by Molmil](/molmil-images/mine/4wpf) | Crystal structure of RORc in complex with a phenyl sulfonamide agonist | 分子名称: | N-[4-(4-acetylpiperazin-1-yl)-2-fluorobenzyl]-N-cyclobutylbenzenesulfonamide, Nuclear receptor ROR-gamma, RHKILHRLLQEGSPS | 著者 | Kiefer, J.R, Wallweber, H.A, de Leon Boenig, G, Hymowitz, S.G. | 登録日 | 2014-10-18 | 公開日 | 2015-01-14 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.202 Å) | 主引用文献 | Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action. Acs Med.Chem.Lett., 6, 2015
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6PET
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![BU of 6pet by Molmil](/molmil-images/mine/6pet) | Crystal structure of 8-hydroxychromene compound 30 bound to estrogen receptor alpha | 分子名称: | (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, CHLORIDE ION, ... | 著者 | Kiefer, J.R, Vinogradova, M, Liang, J, Wang, X, Zbieg, J, Labadie, S.S, Zhang, B, Li, J, Liang, W. | 登録日 | 2019-06-20 | 公開日 | 2019-07-17 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.203 Å) | 主引用文献 | Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927. Bioorg.Med.Chem.Lett., 29, 2019
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5TLF
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![BU of 5tlf by Molmil](/molmil-images/mine/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 | 分子名称: | 4-[2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2016-10-11 | 公開日 | 2017-01-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.204 Å) | 主引用文献 | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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5TMZ
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![BU of 5tmz by Molmil](/molmil-images/mine/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 | 分子名称: | (9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2016-10-13 | 公開日 | 2017-01-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.207 Å) | 主引用文献 | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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1U3R
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![BU of 1u3r by Molmil](/molmil-images/mine/1u3r) | Crystal Structure of Estrogen Receptor beta complexed with WAY-338 | 分子名称: | 2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL, Estrogen receptor beta, steroid receptor coactivator-1 | 著者 | Malamas, M.S, Manas, E.S, McDevitt, R.E, Gunawan, I, Xu, Z.B, Collini, M.D, Miller, C.P, Dinh, T, Henderson, R.A, Keith Jr, J.C, Harris, H.A. | 登録日 | 2004-07-22 | 公開日 | 2005-07-26 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands. J.Med.Chem., 47, 2004
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3AUR
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![BU of 3aur by Molmil](/molmil-images/mine/3aur) | Crystal structure of the human vitamin D receptor ligand binding domain complexed with Yne-diene type analog of active 14-epi-2beta-methyl-19-norvitamin D3 | 分子名称: | (1R,2S,3R)-5-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethynyl]-2-methyl-cyclohex-4-ene-1,3-diol, Vitamin D3 receptor | 著者 | Kakuda, S, Takimoto-Kamimura, M. | 登録日 | 2011-02-15 | 公開日 | 2011-09-14 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Development of 14-epi-19-nortachysterol and its unprecedented binding configuration for the human vitamin D receptor J.Am.Chem.Soc., 133, 2011
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3SP6
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![BU of 3sp6 by Molmil](/molmil-images/mine/3sp6) | Structural basis for iloprost as a dual PPARalpha/delta agonist | 分子名称: | (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,4R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1H)-ylidene]pentanoic acid, Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma coactivator 1-beta | 著者 | Rong, H, Li, Y. | 登録日 | 2011-07-01 | 公開日 | 2011-07-20 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Structural basis for iloprost as a dual peroxisome proliferator-activated receptor alpha/delta agonist. J.Biol.Chem., 286, 2011
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6T1V
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![BU of 6t1v by Molmil](/molmil-images/mine/6t1v) | Structure of PPARg H494Y mutant in complex with GW1929 | 分子名称: | (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha | 著者 | Rochel, N. | 登録日 | 2019-10-06 | 公開日 | 2021-04-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Structure of a PPARg mutant complex To Be Published
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8B93
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![BU of 8b93 by Molmil](/molmil-images/mine/8b93) | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 15b) | 分子名称: | 4-chloranyl-6-fluoranyl-~{N}1-[[4-fluoranyl-2-(2-methoxyethoxymethyl)phenyl]methyl]-~{N}3-[2-methyl-4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | 著者 | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | 登録日 | 2022-10-05 | 公開日 | 2022-12-28 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists. Bioorg.Med.Chem., 78, 2022
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3OMO
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![BU of 3omo by Molmil](/molmil-images/mine/3omo) | Fragment-Based Design of novel Estrogen Receptor Ligands | 分子名称: | 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol, Estrogen receptor beta, Nuclear receptor coactivator 1 | 著者 | Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L. | 登録日 | 2010-08-27 | 公開日 | 2011-03-16 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach. J.Med.Chem., 54, 2011
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4ZN9
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![BU of 4zn9 by Molmil](/molmil-images/mine/4zn9) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Oxabicyclic Heptene Sulfonate (OBHS) | 分子名称: | Estrogen receptor, Nuclear receptor-interacting peptide, cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | 著者 | 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. | 登録日 | 2015-05-04 | 公開日 | 2015-09-09 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.215 Å) | 主引用文献 | Development of selective estrogen receptor modulator (SERM)-like activity through an indirect mechanism of estrogen receptor antagonism: defining the binding mode of 7-oxabicyclo[2.2.1]hept-5-ene scaffold core ligands. Chemmedchem, 7, 2012
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