4K4F
| Co-crystal structure of TNKS1 with compound 18 [4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide] | 分子名称: | 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-1, ZINC ION | 著者 | Huang, X, Bregman, H, Wilson, C, DiMauro, E, Gunaydin, H. | 登録日 | 2013-04-12 | 公開日 | 2013-06-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors. J.Med.Chem., 56, 2013
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4K4E
| Co-crystal structure of tnks1 with compound 52 [N~2-(5-chloro-2-methoxyphenyl)-N-[trans-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)cyclohexyl]glycinamide] | 分子名称: | N~2~-(5-chloro-2-methoxyphenyl)-N-[trans-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)cyclohexyl]glycinamide, Tankyrase-1, ZINC ION | 著者 | Huang, X. | 登録日 | 2013-04-12 | 公開日 | 2013-06-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors. J.Med.Chem., 56, 2013
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4I9I
| Crystal structure of tankyrase 1 with compound 4 | 分子名称: | N-(2-methoxyphenyl)-4-{[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]amino}benzamide, Tankyrase-1, ZINC ION | 著者 | Huang, X. | 登録日 | 2012-12-05 | 公開日 | 2013-02-06 | 最終更新日 | 2013-05-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of a class of novel tankyrase inhibitors that bind to both the nicotinamide pocket and the induced pocket. J.Med.Chem., 56, 2013
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3Q4C
| Crystal Structure of Wild Type BRAF kinase domain in complex with organometallic inhibitor CNS292 | 分子名称: | Serine/threonine-protein kinase B-raf, [(1,2,3,4,5,6-eta)-(1S,2R,3R,4R,5S,6S)-1-carboxycyclohexane-1,2,3,4,5,6-hexayl](chloro)(3-methyl-5,7-dioxo-6,7-dihydro-5H-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~N~1~,N~12~)ruthenium(1+) | 著者 | Xie, P, Streu, C, Qin, J, Pregman, H, Pagano, N, Meggers, E, Marmorstein, R. | 登録日 | 2010-12-23 | 公開日 | 2011-03-02 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | The crystal structure of BRAF in complex with an organoruthenium inhibitor reveals a mechanism for inhibition of an active form of BRAF kinase. Biochemistry, 48, 2009
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5TIN
| Crystal Structure of Human Glycine Receptor alpha-3 Mutant N38Q Bound to AM-3607 | 分子名称: | (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one, CHLORIDE ION, GLYCINE, ... | 著者 | Shaffer, P.L, Huang, X, Chen, H. | 登録日 | 2016-10-03 | 公開日 | 2017-01-18 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Crystal Structures of Human GlyRa3 Bound to a Novel Class of Potentiators with Efficacy in a Mouse Model of Neuropathic Pain To Be Published
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5TIO
| Crystal Structure of Human Glycine Receptor alpha-3 Bound to AM-3607 | 分子名称: | (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ... | 著者 | Shaffer, P.L, Huang, X, Chen, H. | 登録日 | 2016-10-03 | 公開日 | 2017-01-18 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Crystal Structures of Human GlyRa3 Bound to a Novel Class of Potentiators with Efficacy in a Mouse Model of Neuropathic Pain To Be Published
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2OI4
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5FD2
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2IWI
| CRYSTAL STRUCTURE OF THE HUMAN PIM2 IN COMPLEX WITH A RUTHENIUM ORGANOMETALLIC LIGAND RU1 | 分子名称: | RUTHENIUM-PYRIDOCARBAZOLE-1, SERINE/THREONINE-PROTEIN KINASE PIM-2 | 著者 | Russo, S, Debreczeni, J.E, Amos, A, Bullock, A.N, Fedorov, O, Niesen, F, Sobott, F, Turnbull, A, Pike, A.C.W, Ugochukwu, E, Papagrigoriou, E, Bunkoczi, G, Gorrec, F, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, von Delft, F, Knapp, S. | 登録日 | 2006-06-30 | 公開日 | 2006-08-02 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structure of the PIM2 kinase in complex with an organoruthenium inhibitor. PLoS ONE, 4, 2009
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4HGT
| Crystal structure of ck1d with compound 13 | 分子名称: | 2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform delta | 著者 | Huang, X. | 登録日 | 2012-10-08 | 公開日 | 2012-11-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Based Design of Potent and Selective CK1 gamma Inhibitors. ACS Med Chem Lett, 3, 2012
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4HGL
| Crystal structure of ck1g3 with compound 1 | 分子名称: | 2-[5-methoxy-2-(quinolin-3-yl)pyrimidin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform gamma-3, SULFATE ION | 著者 | Huang, X. | 登録日 | 2012-10-08 | 公開日 | 2012-11-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure-Based Design of Potent and Selective CK1 gamma Inhibitors. ACS Med Chem Lett, 3, 2012
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4G17
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4G16
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4N3R
| Co-crystal structure of tankyrase 1 with compound 2 (5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide) | 分子名称: | 5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide, Tankyrase-1, ZINC ION | 著者 | Huang, X. | 登録日 | 2013-10-07 | 公開日 | 2013-12-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors. ACS Med Chem Lett, 4, 2013
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4N4V
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4N4T
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4MSK
| Co-crystal structure of tankyrase 1 with compound 34 | 分子名称: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide, Tankyrase-1, ZINC ION | 著者 | Huang, X. | 登録日 | 2013-09-18 | 公開日 | 2013-12-25 | 最終更新日 | 2014-02-05 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors. J.Med.Chem., 56, 2013
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4MSG
| Crystal structure of tankyrase 1 with compound 22 | 分子名称: | 3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide, Tankyrase-1, ZINC ION | 著者 | Huang, X. | 登録日 | 2013-09-18 | 公開日 | 2013-12-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors. J.Med.Chem., 56, 2013
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4MT9
| Co-crystal structure of tankyrase 1 with compound 49 | 分子名称: | N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide, Tankyrase-1, ZINC ION | 著者 | Huang, X. | 登録日 | 2013-09-19 | 公開日 | 2013-12-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors. J.Med.Chem., 56, 2013
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