4g1q

From Proteopedia

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Template:STRUCTURE 4g1q

Crystal structure of HIV-1 reverse transcriptase (RT) in complex with Rilpivirine (TMC278, Edurant), a non-nucleoside rt-inhibiting drug

Template:ABSTRACT PUBMED 18230722

About this Structure

4g1q is a 2 chain structure with sequence from Human immunodeficiency virus type 1 bh10 and Rhizobium loessense. Full crystallographic information is available from OCA.

Reference

• Das K, Bauman JD, Clark AD Jr, Frenkel YV, Lewi PJ, Shatkin AJ, Hughes SH, Arnold E. High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: strategic flexibility explains potency against resistance mutations. Proc Natl Acad Sci U S A. 2008 Feb 5;105(5):1466-71. Epub 2008 Jan 29. PMID:18230722
• Das K, Martinez SE, Bauman JD, Arnold E. HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism. Nat Struct Mol Biol. 2012 Jan 22;19(2):253-9. doi: 10.1038/nsmb.2223. PMID:22266819 doi:10.1038/nsmb.2223
• Bauman JD, Das K, Ho WC, Baweja M, Himmel DM, Clark AD Jr, Oren DA, Boyer PL, Hughes SH, Shatkin AJ, Arnold E. Crystal engineering of HIV-1 reverse transcriptase for structure-based drug design. Nucleic Acids Res. 2008 Sep;36(15):5083-92. Epub 2008 Aug 1. PMID:18676450 doi:10.1093/nar/gkn464
• Das K, Sarafianos SG, Clark AD Jr, Boyer PL, Hughes SH, Arnold E. Crystal structures of clinically relevant Lys103Asn/Tyr181Cys double mutant HIV-1 reverse transcriptase in complexes with ATP and non-nucleoside inhibitor HBY 097. J Mol Biol. 2007 Jan 5;365(1):77-89. Epub 2006 Sep 15. PMID:17056061 doi:10.1016/j.jmb.2006.08.097
• Das K, Clark AD Jr, Lewi PJ, Heeres J, De Jonge MR, Koymans LM, Vinkers HM, Daeyaert F, Ludovici DW, Kukla MJ, De Corte B, Kavash RW, Ho CY, Ye H, Lichtenstein MA, Andries K, Pauwels R, De Bethune MP, Boyer PL, Clark P, Hughes SH, Janssen PA, Arnold E. Roles of conformational and positional adaptability in structure-based design of TMC125-R165335 (etravirine) and related non-nucleoside reverse transcriptase inhibitors that are highly potent and effective against wild-type and drug-resistant HIV-1 variants. J Med Chem. 2004 May 6;47(10):2550-60. PMID:15115397 doi:http://dx.doi.org/10.1021/jm030558s