7MMA

Crystal structure of HCV NS3/4A protease in complex with NR01-145

7MMA の概要

• エントリーDOI: 10.2210/pdb7mma/pdb
• 分子名称: NS3 protease, ZINC ION, (2R)-1,1,1-trifluoropropan-2-yl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, ... (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 complex, viral protein, 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: 22404.60

構造登録者

Zephyr, J.,Schiffer, C.A. (登録日: 2021-04-29, 公開日: 2022-03-16, 最終更新日: 2023-10-18)

• 主引用文献: Zephyr, J.,Nageswara Rao, D.,Vo, S.V.,Henes, M.,Kosovrasti, K.,Matthew, A.N.,Hedger, A.K.,Timm, J.,Chan, E.T.,Ali, A.,Kurt Yilmaz, N.,Schiffer, C.A.; Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance.; J.Mol.Biol., 434:167503-167503, 2022; PubMed: 35183560; DOI: 10.1016/j.jmb.2022.167503

実験手法

X-RAY DIFFRACTION (1.65 Å)