PDB: 1833 件ウェブページステータス検索Chemie searchBIRD

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5KCF	Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, 4-methoxybenzyl OBHS-N derivative 分子名称: (1R,2S,4R)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, ... 著者 Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. 登録日 2016-06-06 公開日 2016-11-16 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
5KCC	Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Oxabicyclic Heptene Sulfonamide (OBHS-N) 分子名称: (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 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 2016-06-06 公開日 2016-11-16 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.386 Å) 主引用文献 Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
5L7H	MCR IN COMPLEX WITH ligand 分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 3-methyl-5,8-dioxa-17lambda-thia-4,18-diazatetracyclo[18.2.2.1,.0]pentacosa-1(22),2(6),3,9,11,13(25),20,23-octaene-17,17-dione, Mineralocorticoid receptor, ... 著者 Xue, Y, Aagaard, A, Backstrom, S, Edman, K. 登録日 2016-06-03 公開日 2016-12-07 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity. ChemMedChem, 12, 2017
5L7E	MCR IN COMPLEX WITH ligand 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... 著者 Edman, K, Aagaard, A, Backstrom, S, Xue, Y. 登録日 2016-06-03 公開日 2016-12-07 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity. ChemMedChem, 12, 2017
5L7G	MCR IN COMPLEX WITH ligand 分子名称: 1,2-ETHANEDIOL, Mineralocorticoid receptor, NCOA1 peptide, ... 著者 Edman, K, Aagaard, A, Backstrom, S, Xue, Y. 登録日 2016-06-03 公開日 2016-12-07 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity. ChemMedChem, 12, 2017
5K74	Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with SBI0655870 分子名称: Nuclear receptor ROR-gamma, ~{N}-[[3-methyl-4-(4-methylsulfonylphenyl)phenyl]methyl]-~{N}-(2-methylpropyl)-1-phenyl-methanesulfonamide 著者 Lu, J, Rastinejad, F. 登録日 2016-05-25 公開日 2017-05-31 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with SBI0655870 To be published
5K6E	Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with SBI0654919 分子名称: 2-chloranyl-6-fluoranyl-~{N}-[(2~{R})-4-(4-fluorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]benzamide, Nuclear receptor ROR-gamma 著者 Lu, J, Rastinejad, F. 登録日 2016-05-24 公開日 2017-05-31 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with SBI0654919 To be published
5K38	Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain 分子名称: Nuclear receptor ROR-gamma 著者 Lu, J, Rastinejad, F. 登録日 2016-05-19 公開日 2017-05-31 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain To be published
5K3N	Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with ML209 分子名称: (3S)-3-(2H-1,3-benzodioxol-5-yl)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one, Nuclear receptor ROR-gamma 著者 Huang, P, Rastinejad, F, Lu, J. 登録日 2016-05-19 公開日 2017-05-31 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.666 Å) 主引用文献 Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with ML209 To be published
5K3M	Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with UUA 分子名称: Nuclear receptor ROR-gamma, Ursolic acid 著者 Huang, P, Rastinejad, F. 登録日 2016-05-19 公開日 2017-05-31 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.894 Å) 主引用文献 Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with UUA To be published
5K3L	Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with 444 分子名称: N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, Nuclear receptor ROR-gamma 著者 Huang, P, Rastinejad, F. 登録日 2016-05-19 公開日 2017-05-31 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with 444 To be published
5K13	Crystal structure of the RAR alpha ligand-binding domain in complex with an antagonist 分子名称: 4-{5-(3-tert-butylphenyl)-1-[4-(methylsulfonyl)phenyl]-1H-pyrazol-3-yl}benzoic acid, Retinoic acid receptor alpha 著者 Wang, Y, Stout, S.L. 登録日 2016-05-17 公開日 2016-06-22 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Identification of potent and selective retinoic acid receptor gamma (RAR gamma ) antagonists for the treatment of osteoarthritis pain using structure based drug design. Bioorg.Med.Chem.Lett., 26, 2016
5JY3	CRYSTAL STRUCTURE OF LXRbeta (NUCLEAR RECEPTOR SUBFAMILY 1, GROUP H, MEMBER 2) COMPLEXED WITH BMS-852927 分子名称: 1,4-BUTANEDIOL, 2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl] phenyl]imidazol-4-yl]propan-2-ol, Oxysterols receptor LXR-beta 著者 Muckelbauer, J.K. 登録日 2016-05-13 公開日 2016-11-02 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Discovery of Highly Potent Liver X Receptor beta Agonists. ACS Med Chem Lett, 7, 2016
5G44	Ligand complex of RORg LBD 分子名称: (4-pyrimidin-5-ylphenyl)methanol, 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, ... 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 (1.84 Å) 主引用文献 Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments. Chemmedchem, 11, 2016
5G45	Ligand complex of RORg LBD 分子名称: 8-AMINO-3-QUINOLINOL, DIMETHYL SULFOXIDE, NUCLEAR RECEPTOR ROR-GAMMA, ... 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 (2.07 Å) 主引用文献 Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments. Chemmedchem, 11, 2016
5G46	Ligand complex of RORg LBD 分子名称: 2-ETHYL-4(1H)-QUINOLINONE, 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 (1.76 Å) 主引用文献 Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments. Chemmedchem, 11, 2016
5G42	Ligand complex of RORg LBD 分子名称: 5-chloranyl-2,3-dihydroindole-1-carboxamide, 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 (1.72 Å) 主引用文献 Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments. Chemmedchem, 11, 2016
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
5B5B	Crystal structure of VDR-LBD complexed with 2-methylidene-26,27-diphenyl-19-nor-1,25-dihydroxyvitamin D3 分子名称: (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-oxidanyl-7-phenyl-6-(phenylmethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor 著者 Kato, A, Itoh, T, Yamamoto, K. 登録日 2016-05-02 公開日 2016-06-29 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Helix12-Stabilization Antagonist of Vitamin D Receptor Bioconjug.Chem., 27, 2016
5JMM	Crystal structure of hERa-LBD (Y537S) in complex with biochanin A 分子名称: 1,2-ETHANEDIOL, 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one, Estrogen receptor, ... 著者 Delfosse, V, Bourguet, W. 登録日 2016-04-29 公開日 2017-05-10 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structure of hERa-LBD (Y537S) in complex with biochanin A To Be Published
5G3J	Discovery of New Selective Glucocorticoid Receptor Agonist Leads 分子名称: 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5-[[(1S,2R,4R)-4-ethyl-6,7-bis(fluoranyl)-2,5-bis(oxidanyl)-2-(trifluoromethyl)-3,4-dihydro-1H-naphthalen-1-yl]amino]-1H-quinolin-2-one, ... 著者 Berger, M, Edman, K, Wissler, L, Neuhaus, R, Rehwinkel, H, Schacke, H, Jaroch, S. 登録日 2016-04-27 公開日 2017-02-15 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Discovery of New Selective Glucocorticoid Receptor Agonist Leads. Bioorg.Med.Chem.Lett., 27, 2017
5JJM	Crystal Structure of Homodimeric Androgen Receptor Ligand-Binding Domain bound to DHT and LxxLL peptide 分子名称: 1,2-ETHANEDIOL, 5-ALPHA-DIHYDROTESTOSTERONE, ACETATE ION, ... 著者 Estebanez-Perpina, E, Fuentes-Prior, P. 登録日 2016-04-24 公開日 2017-03-15 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structure of the homodimeric androgen receptor ligand-binding domain. Nat Commun, 8, 2017
5JI0	PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid 分子名称: (9cis)-retinoic acid, 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), ... 著者 Bloudoff, K, Larsen, N.A. 登録日 2016-04-21 公開日 2017-04-26 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid To Be Published
5IZ0	RORgamma in complex with agonist BIO592 and Coactivator EBI96 分子名称: CHLORIDE ION, GLU-PHE-PRO-TYR-LEU-LEU-SER-LEU-LEU-GLY-GLU-VAL-SER-PRO-GLN, N-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide, ... 著者 Marcotte, D.J. 登録日 2016-03-24 公開日 2016-06-15 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.635 Å) 主引用文献 Structural determinant for inducing RORgamma specific inverse agonism triggered by a synthetic benzoxazinone ligand. Bmc Struct.Biol., 16, 2016
5IXK	RORgamma in complex with inverse agonist BIO399. 分子名称: N-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide, Nuclear receptor ROR-gamma 著者 Marcotte, D.J. 登録日 2016-03-23 公開日 2016-06-15 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structural determinant for inducing RORgamma specific inverse agonism triggered by a synthetic benzoxazinone ligand. Bmc Struct.Biol., 16, 2016

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