2q5k: Difference between revisions
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==Crystal structure of lopinavir bound to wild type HIV-1 protease== | ==Crystal structure of lopinavir bound to wild type HIV-1 protease== | ||
<StructureSection load='2q5k' size='340' side='right' caption='[[2q5k]], [[Resolution|resolution]] 1.95Å' scene=''> | <StructureSection load='2q5k' size='340' side='right' caption='[[2q5k]], [[Resolution|resolution]] 1.95Å' scene=''> | ||
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2q54|2q54]], [[2q55|2q55]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2q54|2q54]], [[2q55|2q55]]</td></tr> | ||
<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> | <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> | ||
<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=2q5k FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2q5k OCA], [http://pdbe.org/2q5k PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2q5k RCSB], [http://www.ebi.ac.uk/pdbsum/2q5k PDBsum]</span></td></tr> | <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=2q5k FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2q5k OCA], [http://pdbe.org/2q5k PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2q5k RCSB], [http://www.ebi.ac.uk/pdbsum/2q5k PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2q5k ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Evolutionary Conservation == | == Evolutionary Conservation == | ||
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==See Also== | ==See Also== | ||
*[[Immunodeficiency virus protease|Immunodeficiency virus protease]] | |||
*[[Lopinavir|Lopinavir]] | *[[Lopinavir|Lopinavir]] | ||
== References == | == References == | ||
Revision as of 12:39, 18 October 2017
Structural highlights
Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMedA series of novel HIV-1 protease inhibitors based on two pseudosymmetric dipeptide isosteres have been synthesized and evaluated. The inhibitors were designed by incorporating N-phenyloxazolidinone-5-carboxamides into the hydroxyethylene and (hydroxyethyl)hydrazine dipeptide isosteres as P2 and P2' ligands. Compounds with (S)-phenyloxazolidinones attached at a position proximal to the central hydroxyl group showed low nM inhibitory activities against wild-type HIV-1 protease. Selected compounds were further evaluated for their inhibitory activities against a panel of multidrug-resistant protease variants and for their antiviral potencies in MT-4 cells. The crystal structures of lopinavir (LPV) and two new inhibitors containing phenyloxazolidinone-based ligands in complex with wild-type HIV-1 protease have been determined. A comparison of the inhibitor-protease structures with the LPV-protease structure provides valuable insight into the binding mode of the new inhibitors to the protease enzyme. Based on the crystal structures and knowledge of structure-activity relationships, new inhibitors can be designed with enhanced enzyme inhibitory and antiviral potencies. Design and synthesis of HIV-1 protease inhibitors incorporating oxazolidinones as P2/P2' ligands in pseudosymmetric dipeptide isosteres.,Reddy GS, Ali A, Nalam MN, Anjum SG, Cao H, Nathans RS, Schiffer CA, Rana TM J Med Chem. 2007 Sep 6;50(18):4316-28. Epub 2007 Aug 16. PMID:17696512[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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