4AUA
| Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6) | 分子名称: | 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone, CYCLIN-DEPENDENT KINASE 6 | 著者 | Cho, Y.S, Angove, H, Brain, C, Chen, C.H.T, Cheng, R, Chopra, R, Chung, K, Congreve, M, Dagostin, C, Davis, D, Feltell, R, Giraldes, J, Hiscock, S, Kim, S, Kovats, S, Lagu, B, Lewry, K, Loo, A, Lu, Y, Luzzio, M, Maniara, W, Mcmenamin, R, Mortenson, P, Benning, R, O'Reilly, M, Rees, D, Shen, J, Smith, T, Wang, Y, Williams, G, Woolford, A, Wrona, W, Xu, M, Yang, F, Howard, S. | 登録日 | 2012-05-15 | 公開日 | 2013-02-06 | 最終更新日 | 2019-04-03 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors. ACS Med Chem Lett, 3, 2012
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4EZ5
| CDK6 (monomeric) in complex with inhibitor | 分子名称: | Cyclin-dependent kinase 6, {5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone | 著者 | Chopra, R, Xu, M. | 登録日 | 2012-05-02 | 公開日 | 2013-02-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors. ACS Med Chem Lett, 3, 2012
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7JVN
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7JVM
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5TQH
| IDH1 R132H mutant in complex with IDH889 | 分子名称: | (4S)-3-[2-({(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl}amino)pyrimidin-4-yl]-4-(propan-2-yl)-1,3-oxazolidin-2-one, CITRATE ANION, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | 著者 | Xie, X, Kulathila, R. | 登録日 | 2016-10-24 | 公開日 | 2017-01-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Optimization of 3-Pyrimidin-4-yl-oxazolidin-2-ones as Allosteric and Mutant Specific Inhibitors of IDH1. ACS Med Chem Lett, 8, 2017
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5K00
| MELK in complex with NVS-MELK5 | 分子名称: | 4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-N-[2-oxo-2-(phenylamino)ethyl]benzamide, Maternal embryonic leucine zipper kinase | 著者 | Sprague, E.R. | 登録日 | 2016-05-17 | 公開日 | 2017-03-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | "Addition" and "Subtraction": Selectivity Design for Type II Maternal Embryonic Leucine Zipper Kinase Inhibitors. J. Med. Chem., 60, 2017
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5IHC
| MELK in complex with NVS-MELK12B | 分子名称: | 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine, Maternal embryonic leucine zipper kinase | 著者 | Sprague, E.R, Brazell, T. | 登録日 | 2016-02-29 | 公開日 | 2016-06-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
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5IHA
| MELK in complex with NVS-MELK8F | 分子名称: | 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine, Maternal embryonic leucine zipper kinase | 著者 | Sprague, E.R, Brazell, T. | 登録日 | 2016-02-29 | 公開日 | 2016-06-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
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5IH8
| MELK in complex with NVS-MELK1 | 分子名称: | Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide | 著者 | Sprague, E.R, Puleo, D.E. | 登録日 | 2016-02-29 | 公開日 | 2016-06-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
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5IH9
| MELK in complex with NVS-MELK8A | 分子名称: | 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine, Maternal embryonic leucine zipper kinase | 著者 | Sprague, E.R, Puleo, D.E. | 登録日 | 2016-02-29 | 公開日 | 2016-06-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
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