PDB: 1811 件ウェブページステータス検索Chemie searchBIRD

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6W9M	Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with vamorolone and SHP coregulator fragment 分子名称: GLYCEROL, Glucocorticoid Receptor, Nuclear receptor subfamily 0 group B member 2, ... 著者 Liu, X, Ortlund, E.A. 登録日 2020-03-23 公開日 2020-11-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Disruption of a key ligand-H-bond network drives dissociative properties in vamorolone for Duchenne muscular dystrophy treatment. Proc.Natl.Acad.Sci.USA, 117, 2020
6W9L	Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with deacetylated deflazacort and PGC1a coregulator fragment 分子名称: (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one, GLYCEROL, Glucocorticoid Receptor, ... 著者 Liu, X, Ortlund, E.A. 登録日 2020-03-23 公開日 2020-11-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Disruption of a key ligand-H-bond network drives dissociative properties in vamorolone for Duchenne muscular dystrophy treatment. Proc.Natl.Acad.Sci.USA, 117, 2020
6W9K	Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with Prednisolone and PGC1a coregulator fragment 分子名称: GLYCEROL, Glucocorticoid Receptor, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... 著者 Liu, X, Ortlund, E.A. 登録日 2020-03-23 公開日 2020-11-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Disruption of a key ligand-H-bond network drives dissociative properties in vamorolone for Duchenne muscular dystrophy treatment. Proc.Natl.Acad.Sci.USA, 117, 2020
6W9I	SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS 分子名称: 1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene, Nuclear receptor ROR-gamma, Steroid receptor coactivator 1 fusion 著者 Sack, J.S. 登録日 2020-03-23 公開日 2020-04-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.608 Å) 主引用文献 Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists. Bioorg.Med.Chem.Lett., 30, 2020
6W9H	SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS 分子名称: 4-{(3R)-3-[4-(benzyloxy)phenyl]-3-[(4-fluorophenyl)sulfonyl]pyrrolidine-1-carbonyl}-1lambda~6~-thiane-1,1-dione, Nuclear receptor ROR-gamma, Steroid receptor coactivator 1 fusion 著者 Sack, J.S. 登録日 2020-03-23 公開日 2020-04-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.995 Å) 主引用文献 Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists. Bioorg.Med.Chem.Lett., 30, 2020
6VZO	Crystal structure of human PPARgamma ligand binding domain (Protein delipidated by denature and refold) 分子名称: Peroxisome proliferator-activated receptor gamma 著者 Shang, J, Kojetin, D.J. 登録日 2020-02-28 公開日 2021-03-03 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Structural mechanism underlying ligand binding and activation of PPAR gamma. Structure, 29, 2021
6VZN	Crystal structure of human PPARgamma ligand binding domain Y473E mutant 分子名称: Peroxisome proliferator-activated receptor gamma 著者 Shang, J, Kojetin, D.J. 登録日 2020-02-28 公開日 2021-03-03 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural mechanism underlying ligand binding and activation of PPAR gamma. Structure, 29, 2021
6VZM	Crystal structure of human PPARgamma ligand binding domain Y473E mutant in complex with Darglitazone 分子名称: (5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma 著者 Shang, J, Kojetin, D.J. 登録日 2020-02-28 公開日 2021-03-03 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structural mechanism underlying ligand binding and activation of PPAR gamma. Structure, 29, 2021
6VZL	Crystal structure of human PPARgamma ligand binding domain 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 著者 Shang, J, Kojetin, D.J. 登録日 2020-02-28 公開日 2021-03-03 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Structural mechanism underlying ligand binding and activation of PPAR gamma. Structure, 29, 2021
6VSW	Optimization and biological evaluation of thiazole-bis-amide inverse agonists of RORgt 分子名称: 5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide, RAR-related orphan receptor C 著者 Spurlino, J, Milligan, C. 登録日 2020-02-12 公開日 2020-05-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.202 Å) 主引用文献 Optimization and biological evaluation of thiazole-bis-amide inverse agonists of ROR gamma t. Bioorg.Med.Chem.Lett., 30, 2020
6VQF	CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244- 487)-L6-SRC1(678-692)) IN COMPLEX WITH AN INVERSE AGONIST 分子名称: (1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid, GLYCEROL, Nuclear receptor ROR-gamma 著者 Sack, J.S. 登録日 2020-02-05 公開日 2020-04-08 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of BMS-986251: A Clinically Viable, Potent, and Selective ROR gamma t Inverse Agonist. Acs Med.Chem.Lett., 11, 2020
6VPF	Estrogen Receptor Alpha Ligand Binding Domain in Complex with the Selective Estrogen Receptor Modulator Clomiphene 分子名称: Clomifene, Estrogen receptor 著者 Fanning, S.W, Greene, G.L. 登録日 2020-02-03 公開日 2020-09-16 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.6 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
6VJD	Estrogen Receptor Alpha Ligand Binding Domain in Complex with Lasofoxifene 分子名称: (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL, Estrogen receptor 著者 Fanning, S.W, Greene, G.L. 登録日 2020-01-15 公開日 2020-02-26 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Estrogen Receptor Alpha To Be Published
6VIF	Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2 分子名称: N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 著者 Cato, M.L, Ortlund, E.A. 登録日 2020-01-13 公開日 2020-06-10 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition. Bioorg.Med.Chem.Lett., 30, 2020
6VGH	Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant In Complex with Lasofoxifene 分子名称: (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL, Estrogen receptor 著者 Fanning, S.W, Greene, G.L. 登録日 2020-01-08 公開日 2020-02-12 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Ligand Binding Domain To Be Published
6VC2	LRH-1 bound to SS-RJW100 and a fragment of the Tif2 Coactivator 分子名称: (1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 著者 Mays, S.G, Ortlund, E.A. 登録日 2019-12-20 公開日 2020-12-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.697 Å) 主引用文献 Enantiomer-specific activities of an LRH-1 and SF-1 dual agonist. Sci Rep, 10, 2020
6V8T	Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102 分子名称: Estrogen receptor, LSZ102 著者 Fanning, S.W, Greene, G.L. 登録日 2019-12-12 公開日 2019-12-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.1 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
6V87	Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-Hydroxytamoxifen 分子名称: 4-HYDROXYTAMOXIFEN, Estrogen receptor 著者 Fanning, S.W, Greene, G.L. 登録日 2019-12-10 公開日 2019-12-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Estrogen Receptor Alpha To Be Published
6UCG	Retinoic acid receptor-related orphan receptor (ROR) gamma in complex with allosteric compound 28 分子名称: (3S,4R)-1-[1-(2-chloro-6-cyclopropylbenzene-1-carbonyl)-4-fluoro-1H-indazol-3-yl]-3-hydroxypiperidine-4-carboxylic acid, Nuclear receptor ROR-gamma 著者 Palte, R.L, Parthasarathy, G. 登録日 2019-09-16 公開日 2020-03-04 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.87 Å) 主引用文献 Discovery ofN-(Indazol-3-yl)piperidine-4-carboxylic Acids as ROR gamma t Allosteric Inhibitors for Autoimmune Diseases. Acs Med.Chem.Lett., 11, 2020
6U25	CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS- RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC INVERSE AGONIST 分子名称: GLYCEROL, NUCLEAR RECEPTOR COACTIVATOR 1 CHIMERA, trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid 著者 Sack, J. 登録日 2019-08-19 公開日 2019-11-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.61 Å) 主引用文献 Rationally Designed, Conformationally Constrained Inverse Agonists of ROR gamma t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy. J.Med.Chem., 62, 2019
6TSG	Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG) in complex with TETRAC 分子名称: 3,3',5,5'-TETRAIODOTHYROACETIC ACID, Peroxisome proliferator-activated receptor gamma 著者 Chaikuad, A, Gellrich, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2019-12-20 公開日 2020-07-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.98 Å) 主引用文献 l-Thyroxin and the Nonclassical Thyroid Hormone TETRAC Are Potent Activators of PPAR gamma. J.Med.Chem., 63, 2020
6TLT	ROR(gamma)t ligand binding domain in complex with desmosterol and allosteric ligand Glenmark 分子名称: 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, GLYCEROL, Nuclear receptor ROR-gamma, ... 著者 de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. 登録日 2019-12-03 公開日 2020-12-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
6TLQ	ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand Glenmark 分子名称: 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, CHOLESTEROL, GLYCEROL, ... 著者 de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. 登録日 2019-12-03 公開日 2020-12-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.761 Å) 主引用文献 Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
6TLM	ROR(gamma)t ligand binding domain in complex with allosteric ligand compound 13 (Glenmark) 分子名称: 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, Nuclear receptor ROR-gamma 著者 de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. 登録日 2019-12-03 公開日 2020-03-04 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.321 Å) 主引用文献 Elucidation of an Allosteric Mode of Action for a Thienopyrazole ROR gamma t Inverse Agonist. Chemmedchem, 15, 2020
6TFI	PXR IN COMPLEX WITH THROMBIN INHIBITOR COMPOUND 17 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Hillig, R.C, Puetter, V. 登録日 2019-11-14 公開日 2020-11-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics. J.Med.Chem., 63, 2020

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