5C42

Crystal Structure of HIV-1 Reverse Transcriptase (K101P) Variant in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor

Summary for 5C42

• Entry DOI: 10.2210/pdb5c42/pdb
• Related: 1FK9 2ZD1 4MFB 5C24 5C25
• Descriptor: HIV-1 Reverse Transcriptase, p66 subunit, HIV-1 Reverse Transcriptase, p51 subunit, 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile (3 entities in total)
• Functional Keywords: hiv, reverse transcriptase, polymerase, non-nucleoside inhibitor, resistance, transferase, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Human immunodeficiency virus type 1 group M subtype B (isolate BH10) (HIV-1); More
• Total number of polymer chains: 2
• Total formula weight: 114385.04

Authors

Frey, K.M.,Gray, W.T.,Anderson, K.S. (deposition date: 2015-06-17, release date: 2015-11-11, Last modification date: 2024-03-06)

• Primary citation: Gray, W.T.,Frey, K.M.,Laskey, S.B.,Mislak, A.C.,Spasov, K.A.,Lee, W.G.,Bollini, M.,Siliciano, R.F.,Jorgensen, W.L.,Anderson, K.S.; Potent Inhibitors Active against HIV Reverse Transcriptase with K101P, a Mutation Conferring Rilpivirine Resistance.; Acs Med.Chem.Lett., 6:1075-1079, 2015; PubMed: 26487915; DOI: 10.1021/acsmedchemlett.5b00254

Experimental method

X-RAY DIFFRACTION (3.5 Å)