5DGJ

1.0A resolution structure of Norovirus 3CL protease in complex an oxadiazole-based, cell permeable macrocyclic (20-mer) inhibitor

5DGJ の概要

• エントリーDOI: 10.2210/pdb5dgj/pdb
• 関連するPDBエントリー: 5DG6
• 関連するBIRD辞書のPRD_ID: PRD_002189
• 分子名称: 3C-LIKE PROTEASE, tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate (3 entities in total)
• 機能のキーワード: protease, norovirus, norwalk virus, antiviral inhibitors, oxadiazole inhibitor, cell permeable, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Norwalk virus (Hu/NV/NV/1968/US)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 20718.86

構造登録者

Lovell, S.,Battaile, K.P.,Mehzabeen, N.,Damalanka, V.C.,Kim, Y.,Alliston, K.R.,Weerawarna, P.M.,Kankanamalage, A.C.G.,Lushington, G.H.,Chang, K.-O.,Groutas, W.C. (登録日: 2015-08-27, 公開日: 2016-02-10, 最終更新日: 2023-09-27)

• 主引用文献: Damalanka, V.C.,Kim, Y.,Alliston, K.R.,Weerawarna, P.M.,Galasiti Kankanamalage, A.C.,Lushington, G.H.,Mehzabeen, N.,Battaile, K.P.,Lovell, S.,Chang, K.O.,Groutas, W.C.; Oxadiazole-Based Cell Permeable Macrocyclic Transition State Inhibitors of Norovirus 3CL Protease.; J.Med.Chem., 59:1899-1913, 2016; PubMed: 26823007; DOI: 10.1021/acs.jmedchem.5b01464

実験手法

X-RAY DIFFRACTION (1 Å)