5TG1

1.40 A resolution structure of Norovirus 3CL protease in complex with the a m-chlorophenyl substituted macrocyclic inhibitor (17-mer)

5TG1 の概要

• エントリーDOI: 10.2210/pdb5tg1/pdb
• 関連するPDBエントリー: 5TG2
• 関連するBIRD辞書のPRD_ID: PRD_002249
• 分子名称: 3C-LIKE PROTEASE, CHLORIDE ION, (4S,7S,17S)-17-(3-chlorophenyl)-7-(hydroxymethyl)-4-(2-methylpropyl)-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione, ... (4 entities in total)
• 機能のキーワード: protease, norovirus, norwalk virus, antiviral inhibitors, macrocyclic inhibitor, 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: 20679.05

構造登録者

Lovell, S.,Battaile, K.P.,Mehzabeen, N.,Damalanka, V.C.,Kim, Y.,Kankanamalage, A.C.G.,Chang, K.-O.,Groutas, W.C. (登録日: 2016-09-27, 公開日: 2017-01-11, 最終更新日: 2023-10-04)

• 主引用文献: Damalanka, V.C.,Kim, Y.,Galasiti Kankanamalage, A.C.,Lushington, G.H.,Mehzabeen, N.,Battaile, K.P.,Lovell, S.,Chang, K.O.,Groutas, W.C.; Design, synthesis, and evaluation of a novel series of macrocyclic inhibitors of norovirus 3CL protease.; Eur J Med Chem, 127:41-61, 2016; PubMed: 28038326; DOI: 10.1016/j.ejmech.2016.12.033

実験手法

X-RAY DIFFRACTION (1.4 Å)