6M07
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![BU of 6m07 by Molmil](/molmil-images/mine/6m07) | Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor | 分子名称: | (2S)-2-[(E)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase | 著者 | Hu, H.C, Xu, Y.C. | 登録日 | 2020-02-20 | 公開日 | 2020-12-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach. J.Med.Chem., 63, 2020
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6M08
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![BU of 6m08 by Molmil](/molmil-images/mine/6m08) | Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor. | 分子名称: | (2S)-2-[(Z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase | 著者 | Hu, H.C, Xu, Y.C. | 登録日 | 2020-02-20 | 公開日 | 2020-12-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach. J.Med.Chem., 63, 2020
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6M06
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![BU of 6m06 by Molmil](/molmil-images/mine/6m06) | Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor | 分子名称: | (2S)-2-[(Z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase | 著者 | Hu, H.C, Xu, Y.C. | 登録日 | 2020-02-20 | 公開日 | 2020-12-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach. J.Med.Chem., 63, 2020
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7VXX
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![BU of 7vxx by Molmil](/molmil-images/mine/7vxx) | Zika virus NS2B/NS3 protease bZipro(C143S) in complex with 4-amino benzamidine | 分子名称: | P-AMINO BENZAMIDINE, Serine protease NS3, Serine protease subunit NS2B | 著者 | Xiong, Y.C, Cheng, F, Zhang, J.Y, Su, H.X, Hu, H.C, Zou, Y, Li, M.J, Xu, Y.C. | 登録日 | 2021-11-13 | 公開日 | 2022-09-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease. Bioorg.Chem., 128, 2022
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7VXY
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![BU of 7vxy by Molmil](/molmil-images/mine/7vxy) | Zika virus NS2B/NS3 protease bZipro(C143S) in complex with D-RKOR | 分子名称: | Peptide inhibitor, Serine protease NS3, Serine protease subunit NS2B | 著者 | Xiong, Y.C, Cheng, F, Zhang, J.Y, Su, H.X, Hu, H.C, Zou, Y, Li, M.J, Xu, Y.C. | 登録日 | 2021-11-13 | 公開日 | 2022-09-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | 主引用文献 | Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease. Bioorg.Chem., 128, 2022
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6M2N
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![BU of 6m2n by Molmil](/molmil-images/mine/6m2n) | SARS-CoV-2 3CL protease (3CL pro) in complex with a novel inhibitor | 分子名称: | 3C-like proteinase, 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one | 著者 | Su, H.X, Zhao, W.F, Li, M.J, Xie, H, Xu, Y.C. | 登録日 | 2020-02-28 | 公開日 | 2020-04-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | 主引用文献 | Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients. Acta Pharmacol.Sin., 41, 2020
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6M2Q
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![BU of 6m2q by Molmil](/molmil-images/mine/6m2q) | SARS-CoV-2 3CL protease (3CL pro) apo structure (space group C21) | 分子名称: | 3C-like proteinase | 著者 | Su, H.X, Zhao, W.F, Li, M.J, Xie, H, Xu, Y.C. | 登録日 | 2020-02-28 | 公開日 | 2020-04-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients. Acta Pharmacol.Sin., 41, 2020
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