1w5y
HIV-1 PROTEASE IN COMPLEX WITH FLUORO SUBSTITUTED DIOL-BASED C2-SYMMETRIC INHIBITOR
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OverviewOverview
HIV-1 protease is a pivotal enzyme in the later stages of the viral life, cycle which is responsible for the processing and maturation of the virus, particle into an infectious virion. As such, HIV-1 protease has become an, important target for the treatment of AIDS, and efficient drugs have been, developed. However, negative side effects and fast emerging resistance to, the current drugs have necessitated the development of novel chemical, entities in order to exploit different pharmacokinetic properties as well, as new interaction patterns. We have used X-ray crystallography to, decipher the structure-activity relationship of fluoro-substitution as a, strategy to improve the antiviral activity and the protease inhibition of, C2-symmetric diol-based inhibitors. In total we present six, ... [(full description)]
About this StructureAbout this Structure
1W5Y is a [Single protein] structure of sequence from [Human immunodeficiency virus] with BE6 as [ligand]. Active as [HIV-1 retropepsin], with EC number [3.4.23.16]. Structure known Active Site: AC1. Full crystallographic information is available from [OCA].
ReferenceReference
Symmetric fluoro-substituted diol-based HIV protease inhibitors. Ortho-fluorinated and meta-fluorinated P1/P1'-benzyloxy side groups significantly improve the antiviral activity and preserve binding efficacy., Lindberg J, Pyring D, Lowgren S, Rosenquist A, Zuccarello G, Kvarnstrom I, Zhang H, Vrang L, Classon B, Hallberg A, Samuelsson B, Unge T, Eur J Biochem. 2004 Nov;271(22):4594-602. PMID:15560801
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