6CVX

Crystal structure of HCV NS3/4A WT protease in complex with AJ-50 (MK-5172 linear analogue)

6CVX の概要

• エントリーDOI: 10.2210/pdb6cvx/pdb
• 分子名称: NS3 protease, N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-{[7-methoxy-3-(propan-2-yl)quinoxalin-2-yl]oxy}-L-prolinamide, SULFATE ION, ... (6 entities in total)
• 機能のキーワード: ns3/4a protease, hepatitis c virus, drug resistance, protease inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Hepacivirus C
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 22467.78

構造登録者

Matthew, A.N.,Schiffer, C.A. (登録日: 2018-03-29, 公開日: 2018-08-08, 最終更新日: 2023-10-04)

• 主引用文献: Rusere, L.N.,Matthew, A.N.,Lockbaum, G.J.,Jahangir, M.,Newton, A.,Petropoulos, C.J.,Huang, W.,Kurt Yilmaz, N.,Schiffer, C.A.,Ali, A.; Quinoxaline-Based Linear HCV NS3/4A Protease Inhibitors Exhibit Potent Activity against Drug Resistant Variants.; ACS Med Chem Lett, 9:691-696, 2018; PubMed: 30034602; DOI: 10.1021/acsmedchemlett.8b00150

実験手法

X-RAY DIFFRACTION (1.779 Å)