2FDD

Crystal structure of HIV protease D545701 bound with GW0385

2FDD の概要

• エントリーDOI: 10.2210/pdb2fdd/pdb
• 関連するPDBエントリー: 2FDE
• 分子名称: Gag-Pol polyprotein, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(ISOBUTYL)AMINO]-2-HYDROXY-1-{4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]BENZYL}PROPYL]CARBAMATE (3 entities in total)
• 機能のキーワード: hiv protease, inhibitor, hydrolase
• 由来する生物種: Human immunodeficiency virus 1
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 22533.37

構造登録者

Xu, R.X. (登録日: 2005-12-13, 公開日: 2006-02-21, 最終更新日: 2024-02-14)

主引用文献

Miller, J.F.,Andrews, C.W.,Brieger, M.,Furfine, E.S.,Hale, M.R.,Hanlon, M.H.,Hazen, R.J.,Kaldor, I.,McLean, E.W.,Reynolds, D.,Sammond, D.M.,Spaltenstein, A.,Tung, R.,Turner, E.M.,Xu, R.X.,Sherrill, R.G.
Ultra-potent P1 modified arylsulfonamide HIV protease inhibitors: The discovery of GW0385.
Bioorg.Med.Chem.Lett., 16:1788-1794, 2006

PubMed Abstract: A novel series of P1 modified HIV protease inhibitors was synthesized and evaluated for in vitro antiviral activity against wild-type virus and protease inhibitor-resistant viruses. Optimization of the P1 moiety resulted in compounds with femtomolar enzyme activities and cellular antiviral activities in the low nanomolar range culminating in the identification of clinical candidate GW0385.

PubMed: 16458505
DOI: 10.1016/j.bmcl.2006.01.035

実験手法

X-RAY DIFFRACTION (1.58 Å)