5VP9

Crystal structure of HCV NS3/4A protease in complex with AM-07, an analogue of 5172-mcP1P3

5VP9 の概要

• エントリーDOI: 10.2210/pdb5vp9/pdb
• 関連するPDBエントリー: 5VOJ
• 分子名称: NS4A cofactor -- NS3 protein chimera, tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-2-{[3-(thiophen-2-yl)quinoxalin-2-yl]oxy}-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, SULFATE ION, ... (5 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: Hepatitis C virus subtype 1a; 詳細
• 細胞内の位置: Virion : A8DG50
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 22443.74

構造登録者

Matthew, A.N.,Schiffer, C.A. (登録日: 2017-05-04, 公開日: 2017-06-21, 最終更新日: 2023-10-04)

• 主引用文献: Matthew, A.N.,Zephyr, J.,Hill, C.J.,Jahangir, M.,Newton, A.,Petropoulos, C.J.,Huang, W.,Kurt-Yilmaz, N.,Schiffer, C.A.,Ali, A.; Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants.; J. Med. Chem., 60:5699-5716, 2017; PubMed: 28594175; DOI: 10.1021/acs.jmedchem.7b00426

実験手法

X-RAY DIFFRACTION (1.859 Å)