4FE6

Crystal Structure of HIV-1 Protease in Complex with an enamino-oxindole inhibitor

4FE6 の概要

• エントリーDOI: 10.2210/pdb4fe6/pdb
• 分子名称: HIV protease, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({(3Z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate (3 entities in total)
• 機能のキーワード: hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Human immunodeficiency virus type 1 (HIV-1)
• 細胞内の位置: Matrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential): P03367
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 11446.52

構造登録者

Silva, A.M.,Eissenstat, M.,Guerassina, T.,Gulnik, S.,Afonina, E.,Yu, B.,Erickson, J.,Ludke, D.,Yokoe, H. (登録日: 2012-05-29, 公開日: 2012-07-18, 最終更新日: 2024-02-28)

• 主引用文献: Eissenstat, M.,Guerassina, T.,Gulnik, S.,Afonina, E.,Silva, A.M.,Ludtke, D.,Yokoe, H.,Yu, B.,Erickson, J.; Enamino-oxindole HIV protease inhibitors.; Bioorg.Med.Chem.Lett., 22:5078-5083, 2012; PubMed: 22749283; DOI: 10.1016/j.bmcl.2012.05.120

実験手法

X-RAY DIFFRACTION (2 Å)