Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalently bound inhibitor FP237 (compound 8p in publication)

Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalently bound inhibitor FP237 (compound 8p in publication) Descriptor: (2S)-2-[2-(3-methoxyphenoxy)ethanoylamino]-4-methyl-N-[(2S)-3-oxidanylidene-1-phenyl-pentan-2-yl]pentanamide, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... Authors: Strater, N, Sylvester, K, Muller, C.E, Flury, P, Kruger, N, Breidenbach, J, Guetschow, M, Laufer, S.A, Pillaiyar, T. Deposit date: 2024-09-20 Release date: 2025-01-29 Last modified: 2025-02-26 Method: X-RAY DIFFRACTION (2.56 Å) Cite: Design, Synthesis, and Unprecedented Interactions of Covalent Dipeptide-Based Inhibitors of SARS-CoV-2 Main Protease and Its Variants Displaying Potent Antiviral Activity. J.Med.Chem., 68, 2025

新型冠状病毒（SARS-CoV-2）主蛋白酶（Main Protease, MPro）与共价结合抑制剂FP237（文献中编号为化合物8p）的共晶结构。
结构组分：(2S)-2-[2-(3-甲氧基苯氧基)乙酰氨基]-4-甲基-N-[(2S)-3-氧代-1-苯基戊-2-基]戊酰胺、1,2-乙二醇、3C样蛋白酶nsp5等。
作者：Strater, N、Sylvester, K、Muller, C.E、Flury, P、Kruger, N、Breidenbach, J、Guetschow, M、Laufer, S.A、Pillaiyar, T。
保藏日期：2024-09-20
发布日期：2025-01-29
最后修改日期：2025-02-26
实验方法：X射线衍射（分辨率2.56埃）
引用文献：《靶向SARS-CoV-2主蛋白酶及其变异株的共价二肽类抑制剂的设计、合成及前所未有的相互作用：展现强效抗病毒活性》，《药物化学杂志》（J.Med.Chem.），第68卷，2025年。