4WE1

Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ600)

Summary for 4WE1

• Entry DOI: 10.2210/pdb4we1/pdb
• Related: 4H4M 4H4O 4MFB
• Descriptor: Gag-Pol polyprotein, 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, MAGNESIUM ION, ... (6 entities in total)
• Functional Keywords: polymerase, transferase, hydrolase, rnaseh, rnase
• Biological source: Human immunodeficiency virus type 1 group M subtype B (HIV-1); More
• Total number of polymer chains: 2
• Total formula weight: 114860.99

Authors

Frey, K.M.,Anderson, K.S. (deposition date: 2014-09-09, release date: 2014-12-03, Last modification date: 2023-09-27)

• Primary citation: Lee, W.G.,Frey, K.M.,Gallardo-Macias, R.,Spasov, K.A.,Bollini, M.,Anderson, K.S.,Jorgensen, W.L.; Picomolar Inhibitors of HIV-1 Reverse Transcriptase: Design and Crystallography of Naphthyl Phenyl Ethers.; Acs Med.Chem.Lett., 5:1259-1262, 2014; PubMed: 25408842; DOI: 10.1021/ml5003713

Experimental method

X-RAY DIFFRACTION (2.491 Å)