5YQM
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![BU of 5yqm by Molmil](/molmil-images/mine/5yqm) | Crystal structure of Sirt2 in complex with selective inhibitor A29 | 分子名称: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ... | 著者 | Wang, H, Yu, Y, Li, G, chen, Q. | 登録日 | 2017-11-07 | 公開日 | 2018-10-17 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.735 Å) | 主引用文献 | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
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5YQL
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![BU of 5yql by Molmil](/molmil-images/mine/5yql) | Crystal structure of Sirt2 in complex with selective inhibitor A2I | 分子名称: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ... | 著者 | Wang, H, Yu, Y, Li, G, Chen, Q. | 登録日 | 2017-11-07 | 公開日 | 2018-10-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.601 Å) | 主引用文献 | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
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5F5M
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![BU of 5f5m by Molmil](/molmil-images/mine/5f5m) | Crystal structure of Marburg virus nucleoprotein core domain | 分子名称: | Nucleoprotein | 著者 | Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J. | 登録日 | 2015-12-04 | 公開日 | 2017-05-31 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.902 Å) | 主引用文献 | Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus J. Virol., 91, 2017
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5F5O
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![BU of 5f5o by Molmil](/molmil-images/mine/5f5o) | Crystal structure of Marburg virus nucleoprotein core domain bound to VP35 regulation peptide | 分子名称: | Nucleoprotein, Peptide from Polymerase cofactor VP35, SULFATE ION | 著者 | Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J. | 登録日 | 2015-12-04 | 公開日 | 2017-05-31 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus J. Virol., 91, 2017
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6J8R
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![BU of 6j8r by Molmil](/molmil-images/mine/6j8r) | |
6J8Q
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![BU of 6j8q by Molmil](/molmil-images/mine/6j8q) | |
6JN4
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![BU of 6jn4 by Molmil](/molmil-images/mine/6jn4) | |
6JN5
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![BU of 6jn5 by Molmil](/molmil-images/mine/6jn5) | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23 | 分子名称: | Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid | 著者 | Li, G.-B, Liu, S. | 登録日 | 2019-03-13 | 公開日 | 2019-07-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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6JN3
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6JN6
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![BU of 6jn6 by Molmil](/molmil-images/mine/6jn6) | |
7DYY
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![BU of 7dyy by Molmil](/molmil-images/mine/7dyy) | |
7DYZ
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![BU of 7dyz by Molmil](/molmil-images/mine/7dyz) | |
7DZ1
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![BU of 7dz1 by Molmil](/molmil-images/mine/7dz1) | |
7DZ0
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![BU of 7dz0 by Molmil](/molmil-images/mine/7dz0) | |
6BR1
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![BU of 6br1 by Molmil](/molmil-images/mine/6br1) | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4a | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine, CALCIUM ION, ... | 著者 | Kumar, G, Wang, Y, Li, W, White, S.W. | 登録日 | 2017-11-29 | 公開日 | 2018-06-27 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.304 Å) | 主引用文献 | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy. J. Med. Chem., 61, 2018
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7DUY
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![BU of 7duy by Molmil](/molmil-images/mine/7duy) | Crystal structure of VIM-2 MBL in complex with 1-(2-(1H-1,2,3-triazol-1-yl)ethyl)-1H-imidazole-2-carboxylic acid | 分子名称: | 1-[2-(1,2,3-triazol-1-yl)ethyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION | 著者 | Li, G.-B, Yan, Y.-H. | 登録日 | 2021-01-12 | 公開日 | 2022-01-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.999 Å) | 主引用文献 | Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 228, 2022
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7DV0
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![BU of 7dv0 by Molmil](/molmil-images/mine/7dv0) | |
7DUX
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![BU of 7dux by Molmil](/molmil-images/mine/7dux) | |
7DV1
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![BU of 7dv1 by Molmil](/molmil-images/mine/7dv1) | |
7DUZ
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![BU of 7duz by Molmil](/molmil-images/mine/7duz) | |
7DU1
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![BU of 7du1 by Molmil](/molmil-images/mine/7du1) | |
7DUE
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![BU of 7due by Molmil](/molmil-images/mine/7due) | |
7DUB
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![BU of 7dub by Molmil](/molmil-images/mine/7dub) | |
6BS2
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![BU of 6bs2 by Molmil](/molmil-images/mine/6bs2) | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 8b | 分子名称: | 1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Kumar, G, Wang, Y, Li, W, White, S.W. | 登録日 | 2017-12-01 | 公開日 | 2018-06-27 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy. J. Med. Chem., 61, 2018
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6BRF
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![BU of 6brf by Molmil](/molmil-images/mine/6brf) | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4b | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine, CALCIUM ION, ... | 著者 | Kumar, G, Wang, Y, Li, W, White, S.W. | 登録日 | 2017-11-30 | 公開日 | 2018-06-27 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy. J. Med. Chem., 61, 2018
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