4we1 | pdb_00004we1

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)

spinqualitylabelsall models 4we1, resolution 2.49Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4we1 is a 2 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: 3LQ, MG, SO4 Related: 4h4m, 4h4o, 4mfb Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed Catechol diethers that incorporate a 6-cyano-1-naphthyl substituent have been explored as non-nucleoside inhibitors of HIV-1 reverse transcriptase (NNRTIs). Promising compounds are reported that show midpicomolar activity against the wild-type virus and sub-20 nM activity against viral variants bearing Tyr181Cys and Lys103Asn mutations in HIV-RT. An X-ray crystal structure at 2.49 A resolution is also reported for the key compound 6e with HIV-RT. Picomolar Inhibitors of HIV-1 Reverse Transcriptase: Design and Crystallography of Naphthyl Phenyl Ethers.,Lee WG, Frey KM, Gallardo-Macias R, Spasov KA, Bollini M, Anderson KS, Jorgensen WL ACS Med Chem Lett. 2014 Oct 13;5(11):1259-1262. eCollection 2014 Nov 13. PMID:25408842 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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