| 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: | , , |
| 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[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ 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. Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J Med Chem. 2012 Dec 13;55(23):10601-9. doi: 10.1021/jm301294g. Epub 2012 Nov 26. PMID:23137340 doi:http://dx.doi.org/10.1021/jm301294g
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