6rpn
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==Structure of metallo beta lactamase VIM-2 with cyclic boronate APC308.== | |
| + | <StructureSection load='6rpn' size='340' side='right'caption='[[6rpn]], [[Resolution|resolution]] 1.41Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[6rpn]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6RPN OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6RPN FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=KDZ:(3~{R})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic+acid'>KDZ</scene>, <scene name='pdbligand=KL8:(3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic+acid'>KL8</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5fqc|5fqc]]</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=6rpn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6rpn OCA], [http://pdbe.org/6rpn PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6rpn RCSB], [http://www.ebi.ac.uk/pdbsum/6rpn PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6rpn ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | beta-Lactamases comprise the most widely used mode of resistance to beta-lactam antibiotics. Cyclic boronates have shown promise as a new class of beta-lactamase inhibitor, with pioneering potential to potently inhibit both metallo- and serine-beta-lactamases. We report studies concerning a bicyclic boronate ester with a thioether rather than the more typical beta-lactam antibiotic "C-6/C-7" acylamino type side chain, which is present in the penicillin/cephalosporin antibiotics. The thioether bicyclic boronate ester was tested for activity against representative serine- and metallo-beta-lactamases. The results support the broad inhibition potential of bicyclic boronate based inhibitors with different side chains, including against metallo-beta-lactamases from B1, B2, and B3 subclasses. Combined with previous crystallographic studies, analysis of a crystal structure of the thioether inhibitor with the clinically relevant VIM-2 metallo-beta-lactamase implies that further SAR work will expand the already broad scope of beta-lactamase inhibition by bicyclic boronates. | ||
| - | + | Broad Spectrum beta-Lactamase Inhibition by a Thioether Substituted Bicyclic Boronate.,Parkova A, Lucic A, Krajnc A, Brem J, Calvopina K, Langley GW, McDonough MA, Trapencieris P, Schofield CJ ACS Infect Dis. 2020 Jan 6. doi: 10.1021/acsinfecdis.9b00330. PMID:31841636<ref>PMID:31841636</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| + | <div class="pdbe-citations 6rpn" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Brem, J]] | ||
| + | [[Category: Langley, G W]] | ||
| + | [[Category: Lucic, A]] | ||
| + | [[Category: McDonough, M A]] | ||
| + | [[Category: Parkova, A]] | ||
| + | [[Category: Schofield, C J]] | ||
| + | [[Category: Antimicrobial protein]] | ||
| + | [[Category: Antimicrobial resistance]] | ||
| + | [[Category: Beta lactamase]] | ||
| + | [[Category: Cyclic boronate]] | ||
Revision as of 10:16, 27 March 2020
Structure of metallo beta lactamase VIM-2 with cyclic boronate APC308.
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