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4nru
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==Murine Norovirus RNA-dependent-RNA-polymerase in complex with Compound 6, a suramin derivative== | |
| + | <StructureSection load='4nru' size='340' side='right'caption='[[4nru]], [[Resolution|resolution]] 2.30Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4nru]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Murine_norovirus_1 Murine norovirus 1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NRU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4NRU FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2NG:4-({4-METHYL-3-[(3-NITROBENZOYL)AMINO]BENZOYL}AMINO)NAPHTHALENE-1,5-DISULFONIC+ACID'>2NG</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=4nru FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4nru OCA], [https://pdbe.org/4nru PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4nru RCSB], [https://www.ebi.ac.uk/pdbsum/4nru PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4nru ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/Q80J95_9CALI Q80J95_9CALI] | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Noroviruses (NV) are +ssRNA viruses responsible for severe gastroenteritis; no effective vaccines/antivirals are currently available. We previously identified Suramin (9) as a potent inhibitor of NV-RNA dependent RNA polymerase (NV-RdRp). Despite significant in vitro activities versus several pharmacological targets, Suramin clinical use is hampered by pharmacokinetics/toxicity problems. To improve Suramin access to NV-RdRp in vivo, a Suramin-derivative, 8, devoid of two sulphonate groups, was synthesized, achieving significant anti-human-NV-RdRp activity (IC50 = 28 nM); the compound inhibits also murine NV (mNV) RdRp. The synthesis process led to the isolation/characterization of lower molecular weight intermediates (3-7) hosting only one sulphonate head. The crystal structures of both hNV/mNV-RdRps in complex with 6, were analyzed, providing new knowledge on the interactions that a small fragment can establish with NV-RdRps, and establishing a platform for structure-guided optimization of potency, selectivity and drugability. | ||
| - | + | Structural bases of norovirus RNA dependent RNA polymerase inhibition by novel suramin-related compounds.,Croci R, Pezzullo M, Tarantino D, Milani M, Tsay SC, Sureshbabu R, Tsai YJ, Mastrangelo E, Rohayem J, Bolognesi M, Hwu JR PLoS One. 2014 Mar 12;9(3):e91765. doi: 10.1371/journal.pone.0091765. eCollection, 2014. PMID:24622391<ref>PMID:24622391</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| + | <div class="pdbe-citations 4nru" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[RNA polymerase 3D structures|RNA polymerase 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Murine norovirus 1]] | ||
| + | [[Category: Bolognesi M]] | ||
| + | [[Category: Croci R]] | ||
| + | [[Category: Mastrangelo E]] | ||
| + | [[Category: Milani M]] | ||
| + | [[Category: Pezzullo M]] | ||
| + | [[Category: Tarantino D]] | ||
Current revision
Murine Norovirus RNA-dependent-RNA-polymerase in complex with Compound 6, a suramin derivative
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