Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 13d

Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 13d Descriptor: (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 3C-like proteinase, ... Authors: Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. Deposit date: 2022-01-26 Release date: 2022-02-09 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023

本数据集收录严重急性呼吸综合征冠状病毒2型（SARS-CoV-2）3CL蛋白酶与环丙烷类抑制剂13d的复合物结构。数据集描述：(1R,2S)-1-羟基-3-[(3S)-2-氧代吡咯烷-3-基]-2-{[N-({[(1R,2R)-2-丙基环丙基]甲氧基}羰基)-L-亮氨酰]氨基}丙烷-1-磺酸、(1S,2S)-1-羟基-3-[(3S)-2-氧代吡咯烷-3-基]-2-{[N-({[(1R,2R)-2-丙基环丙基]甲氧基}羰基)-L-亮氨酰]氨基}丙烷-1-磺酸及3C样蛋白酶(3C-like proteinase)。作者：Lovell, S、Liu, L、Battaile, K.P、Nguyen, H.N、Chamandi, S.D、Picard, H.R、Madden, T.K、Thruman, H.A、Kim, Y、Groutas, W.C、Chang, K.O。提交日期：2022-01-26；发布日期：2022-02-09；最后修改日期：2024-11-06。实验方法：X射线衍射（分辨率1.55 Å）。引用文献：《广谱抗冠状病毒3C样蛋白酶的环丙烷类抑制剂：生化、结构与病毒学研究》，发表于ACS药理学转化科学(Acs Pharmacol Transl Sci)，第6卷，2023年。