2ynf | pdb_00002ynf

HIV-1 Reverse Transcriptase Y188L mutant in complex with inhibitor GSK560

spinqualitylabelsall models 2ynf, resolution 2.36Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 2ynf is a 2 chain structure with sequence from Hiv-1 m:b_hxb2r. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: MG, TAR, WHU Related: 1a30, 1bv7, 1bv9, 1bve, 1bvg, 1bwa, 1bwb, 1c0t, 1c0u, 1c1b, 1c1c, 1dmp, 1dtq, 1dtt, 1e6j, 1ep4, 1esk, 1ex4, 1exq, 1fb7, 1fk9, 1fko, 1fkp, 1g6l, 1hiv, 1hvh, 1hvr, 1hwr, 1hxb, 1jkh, 1jla, 1jlb, 1jlc, 1jle, 1jlf, 1jlg, 1jlq, 1klm, 1lv1, 1lw0, 1lw2, 1lwc, 1lwe, 1lwf, 1ncp, 1o1w, 1odw, 1ody, 1qbr, 1qbs, 1qbt, 1qbu, 1rev, 1rt1, 1rt2, 1rt3, 1rt4, 1rt5, 1rt6, 1rt7, 1rtd, 1rth, 1rti, 1rtj, 1s1t, 1s1u, 1s1v, 1s1w, 1s1x, 1t05, 1tam, 1tkt, 1tkx, 1tkz, 1tl1, 1tl3, 1vrt, 1vru, 2whh, 2wom, 2won, 3phv, 4b3o, 4b3p, 4b3q, 2yng, 2ynh, 2yni Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed A new series of non-nucleoside reverse transcriptase inhibitors based on an imidazole-amide biarylether scaffold has been identified and shown to possess potent antiviral activity against HIV-1, including the NNRTI-resistant Y188L mutated virus. X-ray crystallography of inhibitors bound to reverse transcriptase, including a structure of the Y188L RT protein, was used extensively to help identify and optimize the key hydrogen-bonding motif. This led directly to the design of compound 43 that exhibits remarkable antiviral activity (EC(50) < 1 nM) against a wide range of NNRTI-resistant viruses and a favorable pharmacokinetic profile across multiple species. Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.,Chong P, Sebahar P, Youngman M, Garrido D, Zhang H, Stewart EL, Nolte RT, Wang L, Ferris RG, Edelstein M, Weaver K, Mathis A, Peat A J Med Chem. 2012 Dec 13;55(23):10601-9. doi: 10.1021/jm301294g. Epub 2012 Nov 26. PMID:23137340 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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