4JEC

Joint neutron and X-ray structure of per-deuterated HIV-1 protease in complex with clinical inhibitor amprenavir

4JEC の概要

• エントリーDOI: 10.2210/pdb4jec/pdb
• 分子名称: HIV-1 protease, CHLORIDE ION, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER, ... (4 entities in total)
• 機能のキーワード: protease, hydrolysis, polypeptides, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Human immunodeficiency virus type 1 (HIV-1)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 22022.43

構造登録者

Kovalevsky, A.Y.,Weber, I.T.,Langan, P. (登録日: 2013-02-26, 公開日: 2013-07-24, 最終更新日: 2024-02-28)

• 主引用文献: Weber, I.T.,Waltman, M.J.,Mustyakimov, M.,Blakeley, M.P.,Keen, D.A.,Ghosh, A.K.,Langan, P.,Kovalevsky, A.Y.; Joint X-ray/Neutron Crystallographic Study of HIV-1 Protease with Clinical Inhibitor Amprenavir: Insights for Drug Design.; J.Med.Chem., 56:5631-5635, 2013; PubMed: 23772563; DOI: 10.1021/jm400684f

実験手法

NEUTRON DIFFRACTION (2 Å)
X-RAY DIFFRACTION (2.01 Å)