4l1a

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==Crystallographic study of multi-drug resistant HIV-1 protease Lopinavir complex: mechanism of drug recognition and resistance==
==Crystallographic study of multi-drug resistant HIV-1 protease Lopinavir complex: mechanism of drug recognition and resistance==
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<StructureSection load='4l1a' size='340' side='right' caption='[[4l1a]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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<StructureSection load='4l1a' size='340' side='right'caption='[[4l1a]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4l1a]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/9hiv1 9hiv1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4L1A OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4L1A FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4l1a]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4L1A OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4L1A 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=AB1:N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE'>AB1</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.9&#8491;</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">pol ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11676 9HIV1])</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AB1:N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE'>AB1</scene></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=4l1a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4l1a OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4l1a RCSB], [http://www.ebi.ac.uk/pdbsum/4l1a PDBsum]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4l1a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4l1a OCA], [https://pdbe.org/4l1a PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4l1a RCSB], [https://www.ebi.ac.uk/pdbsum/4l1a PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4l1a ProSAT]</span></td></tr>
</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/Q000H7_9HIV1 Q000H7_9HIV1]
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Lopinavir (LPV) is a second generation HIV-1 protease inhibitor. Drug resistance has rapidly emerged against LPV since its US FDA approval on September 15, 2000. Mutations at residues 32I, L33F, 46I, 47A, I54V, V82A, I84V, and L90M render the protease drug resistant against LPV. We report the crystal structure of a clinical isolate multi-drug resistant (MDR) 769 HIV-1 protease (resistant mutations at residues 10, 36, 46, 54, 62, 63, 71, 82, 84, and 90) complexed with LPV and the in vitro enzymatic IC50 of LPV against MDR 769. The structural and functional studies demonstrate significant drug resistance of MDR 769 against LPV, arising from reduced interactions between LPV and the protease target.
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Crystallographic study of multi-drug resistant HIV-1 protease lopinavir complex: mechanism of drug recognition and resistance.,Liu Z, Yedidi RS, Wang Y, Dewdney TG, Reiter SJ, Brunzelle JS, Kovari IA, Kovari LC Biochem Biophys Res Commun. 2013 Jul 26;437(2):199-204. doi:, 10.1016/j.bbrc.2013.06.027. Epub 2013 Jun 18. PMID:23792096<ref>PMID:23792096</ref>
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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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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Brunzelle, J]]
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[[Category: Human immunodeficiency virus 1]]
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[[Category: Dewdney, T]]
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[[Category: Large Structures]]
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[[Category: Kovari, I]]
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[[Category: Brunzelle J]]
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[[Category: Kovari, L]]
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[[Category: Dewdney T]]
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[[Category: Liu, Z]]
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[[Category: Kovari I]]
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[[Category: Reiter, S]]
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[[Category: Kovari L]]
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[[Category: Wang, Y]]
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[[Category: Liu Z]]
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[[Category: Yedidi, R S]]
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[[Category: Reiter S]]
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[[Category: Hiv-1 protease]]
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[[Category: Wang Y]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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[[Category: Yedidi RS]]
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[[Category: Ic50]]
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[[Category: Lopinavir]]
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[[Category: Multi-drug resistance]]
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[[Category: Protease]]
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Current revision

Crystallographic study of multi-drug resistant HIV-1 protease Lopinavir complex: mechanism of drug recognition and resistance

PDB ID 4l1a

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