1.85A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate

1.85A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate Descriptor: 3C-LIKE PROTEASE, SULFATE ION, diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate Authors: Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Weerawarna, P.M, Uy, R.A.Z, Damalanka, V.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O. Deposit date: 2014-12-16 Release date: 2015-03-25 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies. J.Med.Chem., 58, 2015

1.85埃分辨率的诺如病毒3CL蛋白酶共价结合二肽基抑制剂二乙基[(1R,2S)-2-[(N-{[(3-氯苄基)氧基]羰基}-3-环己基-L-丙氨酰)氨基]-1-羟基-3-(2-氧代-2H-吡咯-3-基)丙基]膦酸酯的晶体复合物。
描述项：3C样蛋白酶、硫酸根离子、二乙基[(1R,2S)-2-[(N-{[(3-氯苄基)氧基]羰基}-3-环己基-L-丙氨酰)氨基]-1-羟基-3-(2-氧代-2H-吡咯-3-基)丙基]膦酸酯
作者：Lovell, S.、Battaile, K.P.、Mehzabeen, N.、Kankanamalage, A.C.G.、Kim, Y.、Weerawarna, P.M.、Uy, R.A.Z.、Damalanka, V.C.、Mandadapu, S.R.、Alliston, K.R.、Groutas, W.C.、Chang, K.-O.
提交日期：2014-12-16
发布日期：2015-03-25
最后修改日期：2024-10-16
实验方法：X射线衍射（分辨率1.85埃）
引用文献：《诺如病毒3CL蛋白酶二肽基抑制剂的结构导向设计与优化：构效关系及生化、X射线晶体学、细胞实验与体内研究》，《药物化学杂志》（J.Med.Chem.），2015年，第58卷