5E0J

1.20 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic (21-mer) inhibitor

5E0J の概要

• エントリーDOI: 10.2210/pdb5e0j/pdb
• 関連するPDBエントリー: 5E0G 5E0H
• 関連するBIRD辞書のPRD_ID: PRD_002203
• 分子名称: Norovirus 3C-like protease, CHLORIDE ION, (phenylmethyl) ~{N}-[(12~{S},15~{S},18~{S})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate, ... (4 entities in total)
• 機能のキーワード: protease, norovirus, norwalk virus, antiviral inhibitors, triazole macrocyclic inhibitor, cell permeable, protease-protease inhibitor complex, protease/protease 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: 20872.28

構造登録者

Lovell, S.,Battaile, K.P.,Mehzabeen, N.,Weerawarna, P.M.,Kim, Y.,Kankanamalage, A.C.G.,Damalanka, V.C.,Lushington, G.H.,Alliston, K.R.,Chang, K.-O.,Groutas, W.C. (登録日: 2015-09-28, 公開日: 2016-05-04, 最終更新日: 2023-09-27)

• 主引用文献: Weerawarna, P.M.,Kim, Y.,Galasiti Kankanamalage, A.C.,Damalanka, V.C.,Lushington, G.H.,Alliston, K.R.,Mehzabeen, N.,Battaile, K.P.,Lovell, S.,Chang, K.O.,Groutas, W.C.; Structure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studies.; Eur.J.Med.Chem., 119:300-318, 2016; PubMed: 27235842; DOI: 10.1016/j.ejmech.2016.04.013

実験手法

X-RAY DIFFRACTION (1.2 Å)