2FDD

Crystal structure of HIV protease D545701 bound with GW0385

Summary for 2FDD

• Entry DOI: 10.2210/pdb2fdd/pdb
• Related: 2FDE
• Descriptor: 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)
• Functional Keywords: hiv protease, inhibitor, hydrolase
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 2
• Total formula weight: 22533.37

Authors

Xu, R.X. (deposition date: 2005-12-13, release date: 2006-02-21, Last modification date: 2024-02-14)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (1.58 Å)