PMID: 7545077May 1, 1995Paper

Structure of HIV-1 RT/TIBO R 86183 complex reveals similarity in the binding of diverse nonnucleoside inhibitors

Nature Structural Biology
J DingE Arnold

Abstract

We report the structure of HIV-1 reverse transcriptase (RT) complexed with the nonnucleoside inhibitor TIBO R 86183 at 3.0 A resolution. Comparing this structure with those of complexes of HIV-1 RT/alpha-APA R 95845 and HIV-1 RT/nevirapine provides a basis for understanding the nature of nonnucleoside inhibitor binding, the structure of the binding site and the interactions between the bound inhibitors and surrounding amino acid residues as well as for understanding mechanisms of inhibition by and resistance to nonnucleoside inhibitors. All three inhibitors considered assume a similar butterfly-like shape and bind to HIV-1 RT in a very similar way. Important differences occur in the conformation of amino acid residues that form the binding pocket.

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Citations

Sep 14, 2006·Journal of Molecular Modeling·Ravindra K RawalSetu B Katti
May 27, 2008·Journal of Molecular Modeling·David T Manallack
Dec 29, 2007·Journal of Computer-aided Molecular Design·Nitin S SapreNeelima Sapre
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Jul 24, 2013·Biochemical Pharmacology·Erik De Clercq
Jan 31, 2004·Il Farmaco·Angela RaoMaria Zappalà
Feb 1, 2003·Journal of Molecular Biology·Gilda TachedjianStephen P Goff
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Jan 30, 2002·Bioorganic & Medicinal Chemistry·Ke LiMichael B Doughty
Jan 23, 2003·Bioorganic & Medicinal Chemistry·Maria T CoccoValentina Onnis
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Oct 24, 2007·Journal of Chemical Information and Modeling·Gabriela BarreiroWilliam L Jorgensen
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Sep 6, 2003·Journal of Biomolecular Structure & Dynamics·Gita Subba Rao, Sonika Bhatnagar

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