4mjv
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==Influenza Neuraminidase in complex with a novel antiviral compound== | |
| + | <StructureSection load='4mjv' size='340' side='right'caption='[[4mjv]], [[Resolution|resolution]] 2.65Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4mjv]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Influenza_A_virus_(A/duck/Ukraine/1/1963(H3N8)) Influenza A virus (A/duck/Ukraine/1/1963(H3N8))]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MJV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4MJV FirstGlance]. <br> | ||
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.65Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=27V:(2E,5S,9R,10S)-10-(ACETYLAMINO)-2-IMINO-4-OXO-9-(PENTAN-3-YLOXY)-1-THIA-3-AZASPIRO[4.5]DEC-6-ENE-7-CARBOXYLIC+ACID'>27V</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene></td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4mjv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4mjv OCA], [https://pdbe.org/4mjv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4mjv RCSB], [https://www.ebi.ac.uk/pdbsum/4mjv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4mjv ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | We have previously reported a potent neuraminidase inhibitor that comprises a carbocyclic analogue of zanamivir in which the hydrophilic glycerol side chain is replaced by the hydrophobic 3-pentyloxy group of oseltamivir. This hybrid inhibitor showed excellent inhibitory properties in the neuraminidase inhibition assay (Ki =0.46 nM; Ki (zanamivir) =0.16 nM) and in the viral replication inhibition assay in cell culture at 10-8 M. As part of this lead optimization, we now report a novel spirolactam that shows comparable inhibitory activity in the cell culture assay to that of our lead compound at 10-7 M. The compound was discovered serendipitously during the attempted synthesis of the isothiourea derivative of the original candidate. The X-ray crystal structure of the spirolactam in complex with the N8 subtype neuraminidase offers insight into the mode of inhibition. | ||
| - | + | Serendipitous Discovery of a Potent Influenza Virus A Neuraminidase Inhibitor.,Mohan S, Kerry PS, Bance N, Niikura M, Pinto BM Angew Chem Int Ed Engl. 2013 Dec 11. doi: 10.1002/anie.201308142. PMID:24339250<ref>PMID:24339250</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| + | <div class="pdbe-citations 4mjv" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[Neuraminidase 3D structures|Neuraminidase 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Kerry PS]] | ||
Current revision
Influenza Neuraminidase in complex with a novel antiviral compound
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