4o4r: Difference between revisions

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-'''Unreleased structure'''
+==Murine Norovirus RdRp in complex with PPNDS==
+<StructureSection load='4o4r' size='340' side='right' caption='[[4o4r]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[4o4r]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4O4R OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4O4R FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=20V:3-[(E)-{4-FORMYL-5-HYDROXY-6-METHYL-3-[(PHOSPHONOOXY)METHYL]PYRIDIN-2-YL}DIAZENYL]-7-NITRONAPHTHALENE-1,5-DISULFONIC+ACID'>20V</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></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=4o4r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4o4r OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4o4r RCSB], [http://www.ebi.ac.uk/pdbsum/4o4r PDBsum]</span></td></tr>
+</table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Norovirus (NV) is a major cause of gastroenteritis worldwide. Antivirals against such important pathogens are on demand. Among the viral proteins that orchestrate viral replication, RNA-dependent-RNA-polymerase (RdRp) is a promising drug development target. From an in silico-docking search focused on the RdRp active site, we selected the compound PPNDS, which showed low micromolar IC50vs. murine NV-RdRp in vitro. We report the crystal structure of the murine NV-RdRp/PPNDS complex showing that two molecules of the inhibitor bind in antiparallel stacking interaction, properly oriented to block exit of the newly synthesized RNA. Such inhibitor-binding mode mimics two stacked nucleotide-bases of the RdRp/ssRNA complex.
-The entry 4o4r is ON HOLD  until Paper Publication
+PPNDS inhibits murine Norovirus RNA-dependent RNA-polymerase mimicking two RNA stacking bases.,Croci R, Tarantino D, Milani M, Pezzullo M, Rohayem J, Bolognesi M, Mastrangelo E FEBS Lett. 2014 May 2;588(9):1720-5. doi: 10.1016/j.febslet.2014.03.021. Epub, 2014 Mar 18. PMID:24657439<ref>PMID:24657439</ref>
-Authors: Croci, R., Tarantino, D., Milani, M., Pezzullo, M., Bolognesi, M., Mastrangelo, E.
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-Description: Murine Norovirus RdRp in complex with PPNDS
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Bolognesi, M.]]
+[[Category: Croci, R.]]
+[[Category: Mastrangelo, E.]]
+[[Category: Milani, M.]]
+[[Category: Pezzullo, M.]]
+[[Category: Tarantino, D.]]
+[[Category: Rna binding]]
+[[Category: Rna-dependent-rna-polymerase]]
+[[Category: Viral protein-replication inhibitor complex]]