Crystal structures of HIV-1 protease-inhibitor complexes

HIV PR is one of the most popular targets for the development of drugs for treatment of AIDS and in the last few years, a significant effort has been directed towards its structure elucidation in both liganded and unliganded form. In this review, 25 available crystal structures of HIV PR complexes with inhibitors are described. Binding of peptidic inhibitors to the HIV PR active site are analyzed in view of the formation of potential hydrogen bonds and filling of hydrophobic space. A potential impact of the accumulated crystallographic effort on the development of computational methods for structure-based drug design is briefly addressed.

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