5kx9: Difference between revisions

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-'''Unreleased structure'''
-The entry 5kx9 is ON HOLD
+==Selective Small Molecule Inhibition of the FMN Riboswitch==
+<StructureSection load='5kx9' size='340' side='right' caption='[[5kx9]], [[Resolution|resolution]] 2.90&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[5kx9]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5KX9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5KX9 FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6YG:2-[(3~{S})-1-[(2-METHOXYPYRIMIDIN-5-YL)METHYL]PIPERIDIN-3-YL]-6-THIOPHEN-2-YL-1~{H}-PYRIMIDIN-4-ONE'>6YG</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5kx9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5kx9 OCA], [http://pdbe.org/5kx9 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5kx9 RCSB], [http://www.ebi.ac.uk/pdbsum/5kx9 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5kx9 ProSAT]</span></td></tr>
+</table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Bacterial riboswitches are non-coding RNA structural elements that direct gene expression in numerous metabolic pathways. The key regulatory roles of riboswitches, and the urgent need for new classes of antibiotics to treat multi-drug resistant bacteria, has led to efforts to develop small-molecules that mimic natural riboswitch ligands to inhibit metabolic pathways and bacterial growth. Recently, we reported the results of a phenotypic screen targeting the riboflavin biosynthesis pathway in the Gram-negative bacteria Escherichia coli that led to the identification of ribocil, a small molecule inhibitor of the flavin mononucleotide (FMN) riboswitch controlling expression of this biosynthetic pathway. Although ribocil is structurally distinct from FMN, ribocil functions as a potent and highly selective synthetic mimic of the natural ligand to repress riboswitch-mediated ribB gene expression and inhibit bacterial growth both in vitro and in vivo. Herein, we expand our analysis of ribocil; including mode of binding in the FMN binding pocket of the riboswitch, mechanisms of resistance and structure-activity relationship guided efforts to generate more potent analogs.
-Authors: Fischmann, T.O.
+Atomic resolution mechanistic studies of ribocil: A highly selective unnatural ligand mimic of the E. coli FMN riboswitch.,Howe JA, Xiao L, Fischmann TO, Wang H, Tang H, Villafania A, Zhang R, Barbieri CM, Roemer T RNA Biol. 2016 Aug 2:1-9. PMID:27485612<ref>PMID:27485612</ref>
-Description: Selective Small Molecule Inhibition of the FMN Riboswitch
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
-[[Category: Fischmann, T.O]]
+<div class="pdbe-citations 5kx9" style="background-color:#fffaf0;"></div>
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Fischmann, T O]]
+[[Category: Rna]]
+[[Category: Rna-inhibitor complex]]
+[[Category: Translation]]