4QYF
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![BU of 4qyf by Molmil](/molmil-images/mine/4qyf) | |
4QYE
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4QYH
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![BU of 4qyh by Molmil](/molmil-images/mine/4qyh) | CHK1 kinase domain in complex with diazacarbazole GNE-783 | 分子名称: | 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1 | 著者 | Wiesmann, C, Wu, P. | 登録日 | 2014-07-24 | 公開日 | 2014-12-17 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1. Bioorg.Med.Chem.Lett., 24, 2014
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4QYG
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![BU of 4qyg by Molmil](/molmil-images/mine/4qyg) | CHK1 kinase domain in complex with diazacarbazole compound 14 | 分子名称: | 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid, Serine/threonine-protein kinase Chk1 | 著者 | Wiesmann, C, Wu, P. | 登録日 | 2014-07-24 | 公開日 | 2014-12-17 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1. Bioorg.Med.Chem.Lett., 24, 2014
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6C7D
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![BU of 6c7d by Molmil](/molmil-images/mine/6c7d) | Crystal structure of human phosphodiesterase 2A with N-(1-adamantyl)-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | 分子名称: | 1-(2-chlorophenyl)-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Xu, R, Aertgeerts, K. | 登録日 | 2018-01-22 | 公開日 | 2018-08-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes. J. Med. Chem., 61, 2018
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6C7E
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![BU of 6c7e by Molmil](/molmil-images/mine/6c7e) | Crystal structure of human phosphodiesterase 2A with 1-(2-chlorophenyl)-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | 分子名称: | 1-(2-chlorophenyl)-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Xu, R, Aertgeerts, K. | 登録日 | 2018-01-22 | 公開日 | 2018-08-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes. J. Med. Chem., 61, 2018
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6C7I
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![BU of 6c7i by Molmil](/molmil-images/mine/6c7i) | Crystal structure of human phosphodiesterase 2A with 1-(2-chloro-5-methoxy-phenyl)-N-isobutyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | 分子名称: | 1-(2-chloro-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Xu, R, Aertgeerts, K. | 登録日 | 2018-01-22 | 公開日 | 2018-08-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.713 Å) | 主引用文献 | Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes. J. Med. Chem., 61, 2018
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6C7J
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![BU of 6c7j by Molmil](/molmil-images/mine/6c7j) | Crystal structure of human phosphodiesterase 2A with 1-(5-tert-butoxy-2-chloro-phenyl)-N-isobutyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | 分子名称: | 1-(5-tert-butoxy-2-chlorophenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Xu, R, Aertgeerts, K. | 登録日 | 2018-01-22 | 公開日 | 2018-08-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes. J. Med. Chem., 61, 2018
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6C7G
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![BU of 6c7g by Molmil](/molmil-images/mine/6c7g) | Crystal structure of human phosphodiesterase 2A with N-(1-adamantyl)-1-(2-chloro-5-isobutoxy-phenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | 分子名称: | 1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Xu, R, Aertgeerts, K. | 登録日 | 2018-01-22 | 公開日 | 2018-08-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes. J. Med. Chem., 61, 2018
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6C7F
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![BU of 6c7f by Molmil](/molmil-images/mine/6c7f) | Crystal structure of human phosphodiesterase 2A with 1-(2-chloro-5-isobutoxy-phenyl)-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | 分子名称: | 1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Xu, R, Aertgeerts, K. | 登録日 | 2018-01-22 | 公開日 | 2018-08-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes. J. Med. Chem., 61, 2018
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