5T6D

2.10 A resolution structure of Norovirus 3CL protease in complex with the dipeptidyl inhibitor 7l (hexagonal form)

5T6D の概要

• エントリーDOI: 10.2210/pdb5t6d/pdb
• 関連するPDBエントリー: 5T6F 5T6G
• 分子名称: Genome polyprotein, 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L- alaninamide (3 entities in total)
• 機能のキーワード: protease, norovirus, norwalk virus, antiviral inhibitors, dipeptidyl 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: 2
• 化学式量合計: 41331.63

構造登録者

Lovell, S.,Battaile, K.P.,Mehzabeen, N.,Kankanamalage, A.C.G.,Kim, Y.,Rathnayake, A.D.,Damalanka, V.C.,Weerawarna, P.M.,Doyle, S.T.,Alsoudi, A.F.,Dissanayake, D.M.P.,Chang, K.-O.,Groutas, W.C. (登録日: 2016-09-01, 公開日: 2016-11-23, 最終更新日: 2023-10-04)

• 主引用文献: Galasiti Kankanamalage, A.C.,Kim, Y.,Rathnayake, A.D.,Damalanka, V.C.,Weerawarna, P.M.,Doyle, S.T.,Alsoudi, A.F.,Dissanayake, D.M.,Lushington, G.H.,Mehzabeen, N.,Battaile, K.P.,Lovell, S.,Chang, K.O.,Groutas, W.C.; Structure-based exploration and exploitation of the S4 subsite of norovirus 3CL protease in the design of potent and permeable inhibitors.; Eur J Med Chem, 126:502-516, 2016; PubMed: 27914364; DOI: 10.1016/j.ejmech.2016.11.027

実験手法

X-RAY DIFFRACTION (2.1 Å)