1.85 A resolution structure of MERS 3CL protease in complex with piperidine-based peptidomimetic inhibitor 17

1.85 A resolution structure of MERS 3CL protease in complex with piperidine-based peptidomimetic inhibitor 17 Descriptor: (1R,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Orf1a protein Authors: Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C. Deposit date: 2017-07-25 Release date: 2018-04-04 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element. Eur J Med Chem, 150, 2018

1.85 Å分辨率的中东呼吸综合征冠状病毒（MERS）3CL蛋白酶与哌啶类肽模拟抑制剂17的复合物晶体结构
描述符：(1R,2S)-2-{[N-({[4-苄基-1-(叔丁氧羰基)哌啶-4-基]氧基}羰基)-L-亮氨酰]氨基}-1-羟基-3-[(3S)-2-氧代吡咯烷-3-基]丙烷-1-磺酸；(1S,2S)-2-{[N-({[4-苄基-1-(叔丁氧羰基)哌啶-4-基]氧基}羰基)-L-亮氨酰]氨基}-1-羟基-3-[(3S)-2-氧代吡咯烷-3-基]丙烷-1-磺酸；Orf1a蛋白
作者：Lovell S、Battaile K.P、Mehzabeen N、Kankanamalage A.C.G、Kim Y、Rathnayake A.D、Chang K.O、Groutas W.C.
存档日期：2017-07-25
发布日期：2018-04-04
最后修改日期：2024-11-20
实验方法：X射线衍射（1.85 Å）
引用文献：《以哌啶基团作为全新设计元件的MERS冠状病毒3CL蛋白酶强效可透膜抑制剂的结构导向设计》，《欧洲药物化学杂志（Eur J Med Chem）》，2018年，第150卷