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6br6

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'''Unreleased structure'''
 
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The entry 6br6 is ON HOLD
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==N2 neuraminidase in complex with a novel antiviral compound==
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<StructureSection load='6br6' size='340' side='right'caption='[[6br6]], [[Resolution|resolution]] 2.04&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[6br6]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Influenza_a_virus_(a/perth/16/2009(h3n2)) Influenza a virus (a/perth/16/2009(h3n2))]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6BR6 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6BR6 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=E3M:(1R)-4-(acetylamino)-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol'>E3M</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[6br5|6br5]]</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">NA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=654811 Influenza A virus (A/Perth/16/2009(H3N2))])</td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Exo-alpha-sialidase Exo-alpha-sialidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.18 3.2.1.18] </span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6br6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6br6 OCA], [http://pdbe.org/6br6 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6br6 RCSB], [http://www.ebi.ac.uk/pdbsum/6br6 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6br6 ProSAT]</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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Influenza virus infection continues to cause significant, often severe, respiratory illness worldwide. A validated target for development of anti-influenza agents is the viral surface protein sialidase. In the current study, we have discovered a highly potent inhibitor of influenza virus sialidase, based on a novel sialosyl sulfonate template. The synthesised 3-guanidino sialosyl alpha-sulfonate, a sulfonozanamivir analogue, inhibits virus replication in vitro at a nanomolar level, comparable to that of anti-influenza drug zanamivir. Using protein X-ray crystallography we show that the sialosyl alpha-sulfonate template orients within the sialidase active site in a (1)C(4) chair conformation. The C1-sulfonate moiety forms crucial and strong-binding interactions with the active site's triarginyl cluster, while the 3-guanidino moiety significantly interacts with conserved active site residues. This sulfonozanamivir analogue provides a new direction in anti-influenza virus drug development.
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Authors:
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A Sulfonozanamivir Analogue has Potent Anti-influenza Virus Activity.,Hadhazi A, Li L, Bailly B, Maggioni A, Martin G, Dirr L, Dyason J, Thomson R, Gao G, Borbas A, Ve T, Pascolutti M, von Itzstein M ChemMedChem. 2018 Feb 17. doi: 10.1002/cmdc.201800092. PMID:29453852<ref>PMID:29453852</ref>
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Description:
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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<div class="pdbe-citations 6br6" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Neuraminidase 3D structures|Neuraminidase 3D structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Exo-alpha-sialidase]]
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[[Category: Large Structures]]
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[[Category: Bailly, B]]
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[[Category: Gao, G F]]
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[[Category: Hadhazi, A]]
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[[Category: Itzstein, M von]]
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[[Category: Li, L H]]
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[[Category: Pascolutti, M]]
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[[Category: Thomson, R J]]
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[[Category: Ve, T]]
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[[Category: Complex]]
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[[Category: Hydrolase]]

Current revision

N2 neuraminidase in complex with a novel antiviral compound

PDB ID 6br6

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