6SJM
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![BU of 6sjm by Molmil](/molmil-images/mine/6sjm) | Crystal structure of the Retinoic Acid Receptor alpha in complex with compound 24 (JP175) | 分子名称: | 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | 著者 | Chaikuad, A, Pollinger, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2019-08-13 | 公開日 | 2019-09-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | A Novel Biphenyl-based Chemotype of Retinoid X Receptor Ligands Enables Subtype and Heterodimer Preferences. Acs Med.Chem.Lett., 10, 2019
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5TM6
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![BU of 5tm6 by Molmil](/molmil-images/mine/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 | 分子名称: | 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, 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 | 2016-10-12 | 公開日 | 2017-01-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.542 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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5TN3
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![BU of 5tn3 by Molmil](/molmil-images/mine/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 | 分子名称: | (9beta,13alpha,17beta)-17-{[4-(propan-2-yl)phenyl]amino}estra-1(10),2,4-trien-3-ol, 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 (2.543 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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7JYE
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![BU of 7jye by Molmil](/molmil-images/mine/7jye) | Human Liver Receptor Homolog-1 in Complex with 9ChoP and a Fragment of Tif2 | 分子名称: | 9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | 著者 | D'Agostino, E.H, Mays, S.G, Ortlund, E.A. | 登録日 | 2020-08-30 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.551 Å) | 主引用文献 | Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis To Be Published
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7WMO
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![BU of 7wmo by Molmil](/molmil-images/mine/7wmo) | A novel chemical derivative(92) of THRB agonist | 分子名称: | 2-[[1-ethoxy-7-[4-(3-fluoranyl-5-methoxy-phenyl)carbonyl-2,6-dimethyl-phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | 著者 | Yao, B.Q, Li, Y. | 登録日 | 2022-01-15 | 公開日 | 2022-05-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist. J.Med.Chem., 65, 2022
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7WMN
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![BU of 7wmn by Molmil](/molmil-images/mine/7wmn) | A novel chemical derivative(89) of THRB agonist | 分子名称: | 2-[[7-[2,6-dimethyl-4-(3-methylphenyl)carbonyl-phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | 著者 | Yao, B.Q, Li, Y. | 登録日 | 2022-01-15 | 公開日 | 2022-05-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist. J.Med.Chem., 65, 2022
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6KKE
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![BU of 6kke by Molmil](/molmil-images/mine/6kke) | THRb mutation with a novel agonist | 分子名称: | 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, SRC2-3, Thyroid hormone receptor beta | 著者 | Yao, B.Q, Li, Y. | 登録日 | 2019-07-25 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.577 Å) | 主引用文献 | Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance. Iscience, 20, 2019
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5IAW
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![BU of 5iaw by Molmil](/molmil-images/mine/5iaw) | Novel natural FXR modulator with a unique binding mode | 分子名称: | (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 | 著者 | Lu, Y, Li, Y. | 登録日 | 2016-02-22 | 公開日 | 2017-03-08 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly Chembiochem, 18, 2017
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5G43
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![BU of 5g43 by Molmil](/molmil-images/mine/5g43) | Ligand complex of RORg LBD | 分子名称: | 2-(1-PIPERIDINYL)-1,3-THIAZOL-4-AMINE, NUCLEAR RECEPTOR ROR-GAMMA, RORG | 著者 | Xue, Y, Guo, H, Hillertz, P. | 登録日 | 2016-05-04 | 公開日 | 2016-08-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments. Chemmedchem, 11, 2016
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8DAF
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![BU of 8daf by Molmil](/molmil-images/mine/8daf) | Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid | 分子名称: | 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ... | 著者 | D'Agostino, E.H, Cato, M.L, Ortlund, E.A. | 登録日 | 2022-06-13 | 公開日 | 2023-06-28 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Comparison of activity, structure, and dynamics of SF-1 and LRH-1 complexed with small molecule modulators. J.Biol.Chem., 299, 2023
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5KYA
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![BU of 5kya by Molmil](/molmil-images/mine/5kya) | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core | 分子名称: | Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta, [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol | 著者 | Chen, G, McKeever, B.M. | 登録日 | 2016-07-21 | 公開日 | 2016-09-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.598 Å) | 主引用文献 | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core. Bioorg.Med.Chem.Lett., 26, 2016
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5DKS
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![BU of 5dks by Molmil](/molmil-images/mine/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 | 分子名称: | 4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol, 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 | 2015-09-03 | 公開日 | 2016-05-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.6 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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5DKE
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![BU of 5dke by Molmil](/molmil-images/mine/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 | 分子名称: | 4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol, 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 | 2015-09-03 | 公開日 | 2016-05-04 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.6 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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8F8M
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![BU of 8f8m by Molmil](/molmil-images/mine/8f8m) | LRH-1 bound to small molecule Tet and fragment of coactivator Tif2 | 分子名称: | (1~{R},3~{a}~{R},6~{a}~{R})-4-phenyl-3~{a}-(1-phenylethenyl)-5-[9-(1~{H}-1,2,3,4-tetrazol-5-yl)nonyl]-2,3,6,6~{a}-tetrahydro-1~{H}-pentalen-1-ol, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | 著者 | Cato, M.L, Ortlund, E.A. | 登録日 | 2022-11-22 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Isosteric improvements to liver receptor homolog-1 small molecule modulators To Be Published
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7T2X
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![BU of 7t2x by Molmil](/molmil-images/mine/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 | 分子名称: | Estrogen receptor, Nuclear receptor coactivator 2, S-(2-chloro-6-{[(4-hydroxyphenyl)methyl]amino}pyrimidin-4-yl) phenylethanethioate | 著者 | Joiner, C, Sammeta, V.K.R, Norris, J.D, McDonnell, D.P, Wilson, T.M, Fanning, S.W. | 登録日 | 2021-12-06 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A New Chemotype of Chemically Tractable Nonsteroidal Estrogens Based on a Thieno[2,3- d ]pyrimidine Core. Acs Med.Chem.Lett., 13, 2022
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6JIO
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![BU of 6jio by Molmil](/molmil-images/mine/6jio) | Human LXR-beta in complex with a ligand | 分子名称: | Oxysterols receptor LXR-beta, tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate | 著者 | Zhang, Z, Zhou, H. | 登録日 | 2019-02-22 | 公開日 | 2019-10-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Identify liver X receptor beta modulator building blocks by developing a fluorescence polarization-based competition assay. Eur.J.Med.Chem., 178, 2019
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5HJP
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![BU of 5hjp by Molmil](/molmil-images/mine/5hjp) | Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease | 分子名称: | 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, DI(HYDROXYETHYL)ETHER, Oxysterols receptor LXR-beta, ... | 著者 | Parthasarathy, G, Klein, D. | 登録日 | 2016-01-13 | 公開日 | 2016-04-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease. J.Med.Chem., 59, 2016
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5H1E
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![BU of 5h1e by Molmil](/molmil-images/mine/5h1e) | Interaction between vitamin D receptor and coactivator peptide SRC2-3 | 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, Nuclear receptor coactivator 2 peptide, Vitamin D3 receptor | 著者 | Egawa, D, Itoh, T, Kato, A, Kataoka, S, Anami, Y, Yamamoto, K. | 登録日 | 2016-10-08 | 公開日 | 2017-01-11 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | SRC2-3 binds to vitamin D receptor with high sensitivity and strong affinity Bioorg. Med. Chem., 25, 2017
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7VUE
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![BU of 7vue by Molmil](/molmil-images/mine/7vue) | Structural insight of the molecular mechanism of cilofexor bound to FXR | 分子名称: | 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 | 著者 | Jiang, L, Chen, Y.C. | 登録日 | 2021-11-02 | 公開日 | 2022-03-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | 主引用文献 | Structural insight into the molecular mechanism of cilofexor binding to the farnesoid X receptor. Biochem.Biophys.Res.Commun., 595, 2022
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5TM2
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![BU of 5tm2 by Molmil](/molmil-images/mine/5tm2) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,5-bis(2-chloro-4-hydroxyphenyl)thiophene 1-oxide | 分子名称: | 2,5-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one, 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 | 2016-10-12 | 公開日 | 2017-01-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.603 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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5I4V
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![BU of 5i4v by Molmil](/molmil-images/mine/5i4v) | Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists | 分子名称: | Oxysterols receptor LXR-beta,Nuclear receptor coactivator 2, Retinoic acid receptor RXR-beta,Nuclear receptor coactivator 2, {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol | 著者 | Chen, G, McKeever, B.M. | 登録日 | 2016-02-12 | 公開日 | 2016-06-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR) beta Agonist. J.Med.Chem., 59, 2016
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4QE8
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![BU of 4qe8 by Molmil](/molmil-images/mine/4qe8) | FXR with DM175 and NCoA-2 peptide | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid, ... | 著者 | Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Sreeramulu, S, Nilsson, E, Dekker, N, Wissler, L, Bamberg, K, Schubert-Zsilavecz, M, Schwalbe, H. | 登録日 | 2014-05-15 | 公開日 | 2015-08-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | FXR with DM175 and NCoA-2 peptide To be Published
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5YXJ
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![BU of 5yxj by Molmil](/molmil-images/mine/5yxj) | FXR ligand binding domain | 分子名称: | 2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 | 著者 | Yi, L, Yong, L. | 登録日 | 2017-12-05 | 公開日 | 2019-03-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | A ligand of drug binding to FXR To Be Published
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8PZ8
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![BU of 8pz8 by Molmil](/molmil-images/mine/8pz8) | crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 54 | 分子名称: | (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A | 著者 | Rochel, N. | 登録日 | 2023-07-27 | 公開日 | 2024-04-24 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor. Eur.J.Med.Chem., 271, 2024
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2G44
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![BU of 2g44 by Molmil](/molmil-images/mine/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 | 分子名称: | 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L. | 登録日 | 2006-02-21 | 公開日 | 2007-01-09 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Discovery and characterization of novel estrogen
receptor agonist ligands and development of biochips for
nuclear receptor drug discovery Thesis, 2006
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