4XBB
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
4XBB の概要
エントリーDOI | 10.2210/pdb4xbb/pdb |
関連するPDBエントリー | 4XBC 4XBD |
分子名称 | 3C-LIKE PROTEASE, 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, SULFATE ION, ... (4 entities in total) |
機能のキーワード | protease, norovirus, norwalk virus, antiviral inhibitors, dipeptidyl inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
由来する生物種 | Norwalk virus (strain GI/Human/United States/Norwalk/1968) (Hu/NV/NV/1968/US) |
細胞内の位置 | Protein p48: Host membrane ; Single-pass membrane protein . NTPase: Host membrane ; Single- pass membrane protein . Protein p22: Host membrane ; Single-pass membrane protein : Q83883 |
タンパク質・核酸の鎖数 | 1 |
化学式量合計 | 20834.24 |
構造登録者 | 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. (登録日: 2014-12-16, 公開日: 2015-03-25, 最終更新日: 2023-09-27) |
主引用文献 | Galasiti Kankanamalage, A.C.,Kim, Y.,Weerawarna, P.M.,Uy, R.A.,Damalanka, V.C.,Mandadapu, S.R.,Alliston, K.R.,Mehzabeen, N.,Battaile, K.P.,Lovell, S.,Chang, K.O.,Groutas, W.C. 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., 58:3144-3155, 2015 Cited by PubMed: 25761614DOI: 10.1021/jm5019934 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (1.85 Å) |
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