6Q6M
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7VWF
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![BU of 7vwf by Molmil](/molmil-images/mine/7vwf) | |
7VWG
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![BU of 7vwg by Molmil](/molmil-images/mine/7vwg) | |
7VWH
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![BU of 7vwh by Molmil](/molmil-images/mine/7vwh) | |
7VWE
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![BU of 7vwe by Molmil](/molmil-images/mine/7vwe) | |
7UJC
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![BU of 7ujc by Molmil](/molmil-images/mine/7ujc) | |
7UJ8
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7UJF
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![BU of 7ujf by Molmil](/molmil-images/mine/7ujf) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative with Selective Estrogen Receptor Degrader Properties | 分子名称: | (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor | 著者 | Hosfield, D.J, Greene, G.L, Fanning, S.W. | 登録日 | 2022-03-30 | 公開日 | 2022-06-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | 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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7UJO
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![BU of 7ujo by Molmil](/molmil-images/mine/7ujo) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with RU39411 | 分子名称: | (9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol, Estrogen receptor, MAGNESIUM ION | 著者 | Hosfield, D.J, Greene, G.L, Fanning, S.W. | 登録日 | 2022-03-31 | 公開日 | 2022-06-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.449 Å) | 主引用文献 | 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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7UJY
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![BU of 7ujy by Molmil](/molmil-images/mine/7ujy) | Estrogen receptor alpha ligand binding domain Y537S mutant in complex with a methylated lasofoxifene derivative that enhances estrogen receptor alpha nuclear resonance time | 分子名称: | (5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor | 著者 | Hosfield, D.J, Greene, G.L, Fanning, S.W. | 登録日 | 2022-03-31 | 公開日 | 2022-06-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | 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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7UJW
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![BU of 7ujw by Molmil](/molmil-images/mine/7ujw) | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with a Methylated Lasofoxifene Derivative that Possesses Selective Estrogen Receptor Degrader Activities | 分子名称: | (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor | 著者 | Hosfield, D.J, Greene, G.L, Fanning, S.W. | 登録日 | 2022-03-31 | 公開日 | 2022-06-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | 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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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 | 分子名称: | (5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor | 著者 | Hosfield, D.J, Greene, G.L, Fanning, S.W. | 登録日 | 2022-03-31 | 公開日 | 2022-06-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 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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7TT8
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![BU of 7tt8 by Molmil](/molmil-images/mine/7tt8) | Human LRH-1 LBD bound to agonist 6N-10CA and fragment of Tif2 coactivator | 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), Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | 著者 | Cato, M.L, Ortlund, E.A. | 登録日 | 2022-01-31 | 公開日 | 2022-05-11 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Differential Modulation of Nuclear Receptor LRH-1 through Targeting Buried and Surface Regions of the Binding Pocket. J.Med.Chem., 65, 2022
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6S4T
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6S5K
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7VQP
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![BU of 7vqp by Molmil](/molmil-images/mine/7vqp) | Vitamin D receptor complexed with a lithocholic acid derivative | 分子名称: | 3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(2-hydroxy-2-methylpropyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)propanoic acid, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | 著者 | Kato, K, Numoto, N, Kagechika, H, Tanatani, A, Ito, N. | 登録日 | 2021-10-20 | 公開日 | 2022-03-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Lithocholic Acid Amides as Potent Vitamin D Receptor Agonists. Biomolecules, 12, 2022
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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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6SBO
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![BU of 6sbo by Molmil](/molmil-images/mine/6sbo) | Estrogen receptor mutant L536S | 分子名称: | 6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid, Estrogen receptor | 著者 | Vallee, F, Steier, V, Rak, A. | 登録日 | 2019-07-22 | 公開日 | 2019-11-27 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Discovery of 6-(2,4-Dichlorophenyl)-5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid (SAR439859), a Potent and Selective Estrogen Receptor Degrader (SERD) for the Treatment of Estrogen-Receptor-Positive Breast Cancer. J.Med.Chem., 63, 2020
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6SAL
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![BU of 6sal by Molmil](/molmil-images/mine/6sal) | ROR(gamma)t ligand binding domain in complex with allosteric ligand FM26 | 分子名称: | 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid, Nuclear receptor ROR-gamma | 著者 | de Vries, R.M.J.M, Meijer, F.A, Doveston, R.G, Brunsveld, L. | 登録日 | 2019-07-17 | 公開日 | 2019-12-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Ligand-Based Design of Allosteric Retinoic Acid Receptor-Related Orphan Receptor gamma t (ROR gamma t) Inverse Agonists. J.Med.Chem., 63, 2020
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7TRB
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![BU of 7trb by Molmil](/molmil-images/mine/7trb) | CRYSTAL STRUCTURE OF FARNESOID X-ACTIVATED RECEPTOR COMPLEXED WITH COMPOUND-32 AKA (1S,3S)-N-({4-[5-(2-FLUOROPR OPAN-2-YL)-1,2,4-OXADIAZOL-3-YL]BICYCLO[2.2.2]OCTAN-1-YL}M ETHYL)-3-HYDROXY-N-[4'-(2-HYDROXYPROPAN-2-YL)-[1,1'-BIPHEN YL]-3-YL]-3-(TRIFLUOROMETHYL)CYCLOBUTANE-1-CARBOXAMIDE | 分子名称: | (1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide, Bile acid receptor, co-activator | 著者 | Khan, J.A, Ruzanov, M. | 登録日 | 2022-01-28 | 公開日 | 2022-06-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Discovery of BMS-986339, a Pharmacologically Differentiated Farnesoid X Receptor Agonist for the Treatment of Nonalcoholic Steatohepatitis. J.Med.Chem., 65, 2022
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6S4N
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![BU of 6s4n by Molmil](/molmil-images/mine/6s4n) | LXRbeta ligand binding domain in comlpex with small molecule inhibitors | 分子名称: | 2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid, Oxysterols receptor LXR-beta, SULFATE ION | 著者 | Sandmark, J, Jansson, A. | 登録日 | 2019-06-28 | 公開日 | 2019-11-27 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural analysis identifies an escape route from the adverse lipogenic effects of liver X receptor ligands. Commun Biol, 2, 2019
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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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6S41
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![BU of 6s41 by Molmil](/molmil-images/mine/6s41) | CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH XPC-7455 | 分子名称: | 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | 著者 | Focken, T, Maskos, K, Griessner, A, Krapp, S. | 登録日 | 2019-06-26 | 公開日 | 2019-10-02 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective NaV1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy. J.Med.Chem., 62, 2019
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6SQ0
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6R7A
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![BU of 6r7a by Molmil](/molmil-images/mine/6r7a) | Ligand complex of RORg LBD | 分子名称: | LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Nuclear receptor ROR-gamma, SODIUM ION, ... | 著者 | Xue, Y, Aagaard, A, Narjes, F. | 登録日 | 2019-03-28 | 公開日 | 2019-07-03 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Discovery of Potent and Orally Bioavailable Inverse Agonists of the Retinoic Acid Receptor-Related Orphan Receptor C2. Acs Med.Chem.Lett., 10, 2019
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