The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023030

The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023030 Descriptor: (2P)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... Authors: Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. Deposit date: 2022-07-15 Release date: 2022-09-14 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023本数据集包含2009/H1N1/加利福尼亚株野生型PA核酸内切酶与化合物SJ001023030的复合物晶体结构，该化合物的结构表征为：(2P)-5-羟基-N-[2-(2-甲氧基吡啶-4-基)乙基]-6-氧代-2-[3-(三氟甲基)苯基]-1,6-二氢嘧啶-4-甲酰胺。复合物体系还包含六乙烯基吡咯烷酮K15、锰(II)离子等组分。 作者：Cuypers, M.G.、Slavish, J.P.、Rankovic, Z.、White, S.W. 提交日期：2022-07-15 发布日期：2022-09-14 最后修改日期：2023-10-25 解析方法：X射线衍射（分辨率2.45埃） 引用文献：《化学骨架再利用：基于结构导向将HIV整合酶抑制剂转化为可最小化耐药性的强效流感病毒RNA依赖性RNA聚合酶抑制剂》，《欧洲医药化学杂志》，247卷，2023年