6MCS

X-ray crystal structure of wild type HIV-1 protease in complex with GRL-003

6MCS の概要

• エントリーDOI: 10.2210/pdb6mcs/pdb
• 分子名称: Protease, (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate (3 entities in total)
• 機能のキーワード: hiv-1, inhibitor, viral protein
• 由来する生物種: Human immunodeficiency virus 1
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 11519.61

構造登録者

Bulut, H.,Hayashi, H.,Hattori, S.I.,Aoki, M.,Das, D.,Ghosh, A.K.,Mitsuya, H. (登録日: 2018-09-02, 公開日: 2019-04-24, 最終更新日: 2023-10-11)

• 主引用文献: Hattori, S.I.,Hayashi, H.,Bulut, H.,Rao, K.V.,Nyalapatla, P.R.,Hasegawa, K.,Aoki, M.,Ghosh, A.K.,Mitsuya, H.; Halogen Bond Interactions of Novel HIV-1 Protease Inhibitors (PI) (GRL-001-15 and GRL-003-15) with the Flap of Protease Are Critical for Their Potent Activity against Wild-Type HIV-1 and Multi-PI-Resistant Variants.; Antimicrob.Agents Chemother., 63:-, 2019; PubMed: 30962341; DOI: 10.1128/AAC.02635-18

実験手法

X-RAY DIFFRACTION (1.52 Å)