2ynf

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[[Image:2ynf.jpg|left|200px]]
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==HIV-1 Reverse Transcriptase Y188L mutant in complex with inhibitor GSK560==
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<StructureSection load='2ynf' size='340' side='right' caption='[[2ynf]], [[Resolution|resolution]] 2.36&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2ynf]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Hiv-1_m:b_hxb2r Hiv-1 m:b_hxb2r]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YNF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2YNF FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TAR:D(-)-TARTARIC+ACID'>TAR</scene>, <scene name='pdbligand=WHU:2-AZANYL-N-[[4-BROMANYL-3-(3-CHLORANYL-5-CYANO-PHENOXY)-2-FLUORANYL-PHENYL]METHYL]-4-CHLORANYL-1H-IMIDAZOLE-5-CARBOXAMIDE'>WHU</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1a30|1a30]], [[1bv7|1bv7]], [[1bv9|1bv9]], [[1bve|1bve]], [[1bvg|1bvg]], [[1bwa|1bwa]], [[1bwb|1bwb]], [[1c0t|1c0t]], [[1c0u|1c0u]], [[1c1b|1c1b]], [[1c1c|1c1c]], [[1dmp|1dmp]], [[1dtq|1dtq]], [[1dtt|1dtt]], [[1e6j|1e6j]], [[1ep4|1ep4]], [[1esk|1esk]], [[1ex4|1ex4]], [[1exq|1exq]], [[1fb7|1fb7]], [[1fk9|1fk9]], [[1fko|1fko]], [[1fkp|1fkp]], [[1g6l|1g6l]], [[1hiv|1hiv]], [[1hvh|1hvh]], [[1hvr|1hvr]], [[1hwr|1hwr]], [[1hxb|1hxb]], [[1jkh|1jkh]], [[1jla|1jla]], [[1jlb|1jlb]], [[1jlc|1jlc]], [[1jle|1jle]], [[1jlf|1jlf]], [[1jlg|1jlg]], [[1jlq|1jlq]], [[1klm|1klm]], [[1lv1|1lv1]], [[1lw0|1lw0]], [[1lw2|1lw2]], [[1lwc|1lwc]], [[1lwe|1lwe]], [[1lwf|1lwf]], [[1ncp|1ncp]], [[1o1w|1o1w]], [[1odw|1odw]], [[1ody|1ody]], [[1qbr|1qbr]], [[1qbs|1qbs]], [[1qbt|1qbt]], [[1qbu|1qbu]], [[1rev|1rev]], [[1rt1|1rt1]], [[1rt2|1rt2]], [[1rt3|1rt3]], [[1rt4|1rt4]], [[1rt5|1rt5]], [[1rt6|1rt6]], [[1rt7|1rt7]], [[1rtd|1rtd]], [[1rth|1rth]], [[1rti|1rti]], [[1rtj|1rtj]], [[1s1t|1s1t]], [[1s1u|1s1u]], [[1s1v|1s1v]], [[1s1w|1s1w]], [[1s1x|1s1x]], [[1t05|1t05]], [[1tam|1tam]], [[1tkt|1tkt]], [[1tkx|1tkx]], [[1tkz|1tkz]], [[1tl1|1tl1]], [[1tl3|1tl3]], [[1vrt|1vrt]], [[1vru|1vru]], [[2whh|2whh]], [[2wom|2wom]], [[2won|2won]], [[3phv|3phv]], [[4b3o|4b3o]], [[4b3p|4b3p]], [[4b3q|4b3q]], [[2yng|2yng]], [[2ynh|2ynh]], [[2yni|2yni]]</td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ynf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ynf OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2ynf RCSB], [http://www.ebi.ac.uk/pdbsum/2ynf PDBsum]</span></td></tr>
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</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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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) &lt; 1 nM) against a wide range of NNRTI-resistant viruses and a favorable pharmacokinetic profile across multiple species.
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{{STRUCTURE_2ynf| PDB=2ynf | SCENE= }}
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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<ref>PMID:23137340</ref>
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===HIV-1 Reverse Transcriptase Y188L mutant in complex with inhibitor GSK560===
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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{{ABSTRACT_PUBMED_23137340}}
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== References ==
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<references/>
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==About this Structure==
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__TOC__
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[[2ynf]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Hiv-1_m:b_hxb2r Hiv-1 m:b_hxb2r]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YNF OCA].
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</StructureSection>
[[Category: Hiv-1 m:b_hxb2r]]
[[Category: Hiv-1 m:b_hxb2r]]
[[Category: Chong, P.]]
[[Category: Chong, P.]]

Revision as of 11:55, 29 October 2014

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

2ynf, resolution 2.36Å

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