2bb9 | pdb_00002bb9
Structure of HIV1 protease and AKC4p_133a complex.
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| 2bb9, resolution 1.35Å | |||||||||||||
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| Ligands: | AKC | ||||||||||||
| Gene: | GAG (Human immunodeficiency virus 1) | ||||||||||||
| Activity: | HIV-1 retropepsin, with EC number 3.4.23.16 | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
Overview
A series of monopyrrolinone-based HIV-1 protease inhibitors possessing rationally designed P2' side chains have been synthesized and evaluated for activity against wild-type HIV-1 protease. The most potent inhibitor displays subnanomolar potency in vitro for the wild-type HIV-1 protease. Additionally, the monopyrrolinone inhibitors retain potency in cellular assays against clinically significant mutant forms of the virus. X-ray structures of these inhibitors bound in the wild-type enzyme reveal important insights into the observed biological activity.
About this Structure
2BB9 is a Single protein structure of sequence from Human immunodeficiency virus 1. Full crystallographic information is available from OCA.
Reference
Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors possessing augmented P2' side chains., Smith AB 3rd, Charnley AK, Harada H, Beiger JJ, Cantin LD, Kenesky CS, Hirschmann R, Munshi S, Olsen DB, Stahlhut MW, Schleif WA, Kuo LC, Bioorg Med Chem Lett. 2006 Feb 15;16(4):859-63. Epub 2005 Nov 18. PMID:16298527
Page seeded by OCA on Thu Mar 20 15:59:39 2008
