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3nbp

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[[Image:3nbp.png|left|200px]]
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==HIV-1 reverse transcriptase with aminopyrimidine inhibitor 2==
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<StructureSection load='3nbp' size='340' side='right' caption='[[3nbp]], [[Resolution|resolution]] 2.95&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3nbp]] 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=3NBP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3NBP 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=JGZ:4-(4-{[4-(4-CYANO-2,6-DIMETHYLPHENOXY)PYRIMIDIN-2-YL]AMINO}PIPERIDIN-1-YL)BENZENESULFONAMIDE'>JGZ</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3m8p|3m8p]], [[3m8q|3m8q]]</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">gag-pol ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11706 HIV-1 M:B_HXB2R])</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=3nbp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3nbp OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3nbp RCSB], [http://www.ebi.ac.uk/pdbsum/3nbp PDBsum]</span></td></tr>
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</table>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/nb/3nbp_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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An analysis of the binding motifs of known HIV-1 non-nucleoside reverse transcriptase inhibitors has led to discovery of novel piperidine-linked aminopyrimidine derivatives with broad activity against wild-type as well as drug-resistant mutant viruses. Notably, the series retains potency against the K103N/Y181C and Y188L mutants, among others. Thus, the N-benzyl compound 5k has a particularly attractive profile. Synthesis and SAR are presented and discussed, as well as crystal structures relating to the binding motifs.
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{{STRUCTURE_3nbp| PDB=3nbp | SCENE= }}
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Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses.,Kertesz DJ, Brotherton-Pleiss C, Yang M, Wang Z, Lin X, Qiu Z, Hirschfeld DR, Gleason S, Mirzadegan T, Dunten PW, Harris SF, Villasenor AG, Hang JQ, Heilek GM, Klumpp K Bioorg Med Chem Lett. 2010 Jul 15;20(14):4215-8. Epub 2010 May 16. PMID:20538456<ref>PMID:20538456</ref>
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===HIV-1 reverse transcriptase with aminopyrimidine inhibitor 2===
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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_20538456}}
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==About this Structure==
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[[3nbp]] 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=3NBP OCA].
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==See Also==
==See Also==
*[[Reverse transcriptase|Reverse transcriptase]]
*[[Reverse transcriptase|Reverse transcriptase]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:020538456</ref><references group="xtra"/>
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__TOC__
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</StructureSection>
[[Category: Hiv-1 m:b_hxb2r]]
[[Category: Hiv-1 m:b_hxb2r]]
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[[Category: Harris, S F.]]
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[[Category: Harris, S F]]
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[[Category: Villasenor, A G.]]
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[[Category: Villasenor, A G]]
[[Category: Hiv]]
[[Category: Hiv]]
[[Category: Nucleotidyltransferase]]
[[Category: Nucleotidyltransferase]]

Revision as of 09:41, 9 December 2014

HIV-1 reverse transcriptase with aminopyrimidine inhibitor 2

3nbp, resolution 2.95Å

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