PDB: 1828 件ウェブページステータス検索Chemie searchBIRD

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1IE8	Crystal Structure Of The Nuclear Receptor For Vitamin D Ligand Binding Domain Bound to KH1060 分子名称: 5-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, VITAMIN D3 RECEPTOR 著者 Tocchini-Valentini, G, Rochel, N, Wurtz, J.M, Mitschler, A, Moras, D. 登録日 2001-04-09 公開日 2001-05-16 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Crystal structures of the vitamin D receptor complexed to superagonist 20-epi ligands. Proc.Natl.Acad.Sci.USA, 98, 2001
7MSA	GDC-9545 in complex with estrogen receptor alpha 分子名称: (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, 3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol, Estrogen receptor 著者 Kiefer, J.R, Vinogradova, M, Liang, J, Zbieg, J.R, Wang, X, Ortwine, D.F. 登録日 2021-05-10 公開日 2021-06-02 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 GDC-9545 (Giredestrant): A Potent and Orally Bioavailable Selective Estrogen Receptor Antagonist and Degrader with an Exceptional Preclinical Profile for ER+ Breast Cancer. J.Med.Chem., 64, 2021
3MNO	Crystal structure of the agonist form of mouse glucocorticoid receptor stabilized by (A611V, F608S) mutations at 1.55A 分子名称: DEXAMETHASONE, GLYCEROL, Glucocorticoid receptor, ... 著者 Schoch, G.A, Seitz, T, Benz, J, Banner, D, Stihle, M, D'Arcy, B, Thoma, R, Sterner, R, Hennig, M, Ruf, A. 登録日 2010-04-22 公開日 2010-09-15 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening. J.Mol.Biol., 403, 2010
7XQE	Crystal Structure of human RORgamma (C455E) LBD in complex with compound XY039 分子名称: 2,4-difluoro-N-(1-((4-(trifluoromethyl)benzyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide, ETHANOL, GLYCEROL, ... 著者 Wu, X, Li, C, Zhang, Y, Xu, Y. 登録日 2022-05-07 公開日 2023-05-31 最終更新日 2024-06-12 実験手法 X-RAY DIFFRACTION (2.57 Å) 主引用文献 Discovery and pharmacological characterization of 1,2,3,4-tetrahydroquinoline derivatives as ROR gamma inverse agonists against prostate cancer. Acta Pharmacol.Sin., 2024
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
4X1G	Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol and the pesticide trans-nonachlor 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, ISOPROPYL ALCOHOL, ... 著者 Delfosse, V, Huet, T, Bourguet, W. 登録日 2014-11-24 公開日 2015-09-09 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds. Nat Commun, 6, 2015
6ZLY	Crystal structure of the complex between PPARgamma LBD and the ligand NV1362 (7a) 分子名称: (2~{S})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid, Peroxisome proliferator-activated receptor gamma 著者 Pochetti, G, Montanari, R, Capelli, D. 登録日 2020-07-01 公開日 2020-11-25 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 A Novel N-Substituted Valine Derivative with Unique Peroxisome Proliferator-Activated Receptor gamma Binding Properties and Biological Activities. J.Med.Chem., 63, 2020
6ZOQ	Oestrogen receptor ligand binding domain in complex with compound 16 分子名称: 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 著者 Breed, J. 登録日 2020-07-07 公開日 2021-01-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
6GEV	Mineralocorticoid receptor in complex with (s)-13 分子名称: 6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one, GLYCEROL, Mineralocorticoid receptor, ... 著者 Edman, K, Aagaard, A, Tangefjord, S. 登録日 2018-04-27 公開日 2019-01-09 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection. J.Med.Chem., 62, 2019
5LSG	PPARgamma complex with the betulinic acid 分子名称: Betulinic Acid, Peroxisome proliferator-activated receptor gamma 著者 Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Calleri, E, Paiardini, A. 登録日 2016-08-26 公開日 2017-08-09 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Betulinic acid is a PPAR gamma antagonist that improves glucose uptake, promotes osteogenesis and inhibits adipogenesis. Sci Rep, 7, 2017
6GG8	Mineralocorticoid receptor in complex with (s)-13 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Mineralocorticoid receptor, Nuclear receptor coactivator 1, ... 著者 Edman, K, Aagaard, A, Tangefjord, S. 登録日 2018-05-03 公開日 2019-01-09 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection. J.Med.Chem., 62, 2019
5LYQ	Crystal structure of the Retinoic Acid Receptor alpha in complex with a synthetic spiroketal agonist and a fragment of the TIF2 co-activator. 分子名称: (2~{R})-6,6,9,9-tetramethylspiro[3,4,7,8-tetrahydrobenzo[g]chromene-2,2'-3,4-dihydrochromene]-6'-carboxylic acid, HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP, Retinoic acid receptor RXR-alpha 著者 Andrei, S.A, Ottmann, C. 登録日 2016-09-28 公開日 2017-04-26 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.17 Å) 主引用文献 Designed Spiroketal Protein Modulation. Angew. Chem. Int. Ed. Engl., 56, 2017
5LGA	Structural analysis and biological activities of BXL0124, a Gemini analog of Vitamin D 分子名称: (1~{R},3~{S},5~{Z})-5-[2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(6~{R})-1,1,1-tris(fluoranyl)-10-methyl-2,10-bis(oxidanyl)-2-(trifluoromethyl)undeca-3,8-diyn-6-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, SRC-2, Vitamin D3 receptor A 著者 Belorusova, A.Y, Rochel, N. 登録日 2016-07-06 公開日 2016-10-19 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural analysis and biological activities of BXL0124, a gemini analog of vitamin D. J. Steroid Biochem. Mol. Biol., 173, 2017
6GGG	Mineralocorticoid receptor in complex with (s)-13 分子名称: 2-[(3~{S})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, CHLORIDE ION, Mineralocorticoid receptor, ... 著者 Edman, K, Aagaard, A, Tangefjord, S. 登録日 2018-05-03 公開日 2019-01-09 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection. J.Med.Chem., 62, 2019
4WHG	Crystal Structure of TR3 LBD in complex with Molecule 3 分子名称: 1-(3,4,5-trihydroxyphenyl)octan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 著者 Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W. 登録日 2014-09-22 公開日 2015-09-09 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity Chem.Biol., 22, 2015
4WHF	Crystal Structure of TR3 LBD in complex with 1-(3,4,5-trihydroxyphenyl)decan-1-one 分子名称: 1-(3,4,5-trihydroxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 著者 Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W. 登録日 2014-09-22 公開日 2015-09-09 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity Chem.Biol., 22, 2015
4WLB	Crystal structure of RORc in complex with a partial inverse agonist compound 分子名称: L(+)-TARTARIC ACID, N-(4-fluorobenzyl)-N-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide, Nuclear receptor ROR-gamma, ... 著者 Boenig, G, Hymowitz, S.G, Kiefer, J.R. 登録日 2014-10-07 公開日 2014-11-12 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.702 Å) 主引用文献 A reversed sulfonamide series of selective RORc inverse agonists. Bioorg.Med.Chem.Lett., 24, 2014
4UDD	GR in complex with desisobutyrylciclesonide 分子名称: 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DESISOBUYTYRYL CICLESONIDE, ... 著者 Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V. 登録日 2014-12-09 公開日 2015-11-25 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints. Structure, 23, 2015
4UDC	GR in complex with dexamethasone 分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DEXAMETHASONE, GLUCOCORTICOID RECEPTOR, ... 著者 Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V. 登録日 2014-12-09 公開日 2015-11-25 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints. Structure, 23, 2015
1WM0	PPARgamma in complex with a 2-BABA compound 分子名称: 14-mer from Nuclear receptor coactivator 2, 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, Peroxisome proliferator activated receptor gamma 著者 Ostberg, T, Svensson, S, Selen, G, Uppenberg, J, Thor, M, Sundbom, M, Sydow-Backman, M, Gustavsson, A.L, Jendeberg, L. 登録日 2004-07-01 公開日 2004-09-07 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 A new class of peroxisome proliferator-activated receptor agonists with a novel binding epitope shows antidiabetic effects J.Biol.Chem., 279, 2004
4UDB	MR in complex with desisobutyrylciclesonide 分子名称: DESISOBUYTYRYL CICLESONIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Edman, K, Hogner, A, Hussein, A, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, JellesmarkJensen, T, Cavallin, A, Nilsson, E, Lepisto, M, Guallar, V. 登録日 2014-12-09 公開日 2015-11-25 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.36 Å) 主引用文献 Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints. Structure, 23, 2015
4UDA	MR in complex with dexamethasone 分子名称: DEXAMETHASONE, GLYCEROL, MINERALOCORTICOID RECEPTOR, ... 著者 Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V. 登録日 2014-12-09 公開日 2015-11-25 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints. Structure, 23, 2015
1X7J	CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH GENISTEIN 分子名称: Estrogen receptor beta, GENISTEIN, STEROID RECEPTOR COACTIVATOR-1 著者 Manas, E.S, Xu, Z.B, Unwalla, R.J, Somers, W.S. 登録日 2004-08-14 公開日 2005-03-01 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Understanding the Selectivity of Genistein for Human Estrogen Receptor-Beta Using X-Ray Crystallography and Computational Methods Structure, 12, 2004
1X7R	CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR ALPHA COMPLEXED WITH GENISTEIN 分子名称: Estrogen receptor 1 (alpha), GENISTEIN, steroid receptor coactivator-3 著者 Manas, E.S, Xu, Z.B, Unwalla, R.J, Somers, W.S. 登録日 2004-08-16 公開日 2005-03-01 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Understanding the Selectivity of Genistein for Human Estrogen Receptor-Beta Using X-Ray Crystallography and Computational Methods Structure, 12, 2004
1X78	CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH WAY-244 分子名称: Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1, [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE 著者 Manas, E.S, Unwalla, R.J, Xu, Z.B, Malamas, M.S, Miller, C.P, Harris, H.A, Hsiao, C, Akopian, T, Hum, W.T, Malakian, K, Wolfrom, S, Bapat, A, Bhat, R.A, Stahl, M.L, Somers, W.S, Alvarez, J.C. 登録日 2004-08-13 公開日 2005-03-01 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-Based Design of Estrogen Receptor-Beta Selective Ligands J.Am.Chem.Soc., 126, 2004

 

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