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5a5z

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'''Unreleased structure'''
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==Approved Drugs Containing Thiols as Inhibitors of Metallo-beta- lactamases: Strategy To Combat Multidrug-Resistant Bacteria==
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<StructureSection load='5a5z' size='340' side='right' caption='[[5a5z]], [[Resolution|resolution]] 2.60&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[5a5z]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5A5Z OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5A5Z FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=WJZ:TIOPRONIN'>WJZ</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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/Beta-lactamase Beta-lactamase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6] </span></td></tr>
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<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=5a5z FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5a5z OCA], [http://www.rcsb.org/pdb/explore.do?structureId=5a5z RCSB], [http://www.ebi.ac.uk/pdbsum/5a5z PDBsum]</span></td></tr>
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</table>
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== Function ==
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[[http://www.uniprot.org/uniprot/BLAN1_KLEPN BLAN1_KLEPN]] Confers resistance to many beta-lactam antibiotics, including some carbapenems. Does not confer resistance to the polymixin colistin or the fluoroquinolone ciprofloxacin.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Resistance to beta-lactam antibiotics can be mediated by metallo-beta-lactamase enzymes (MBLs). An MBL inhibitor could restore the effectiveness of beta-lactams. We report on the evaluation of approved thiol-containing drugs as inhibitors of NDM-1, VIM-1, and IMP-7. Drugs were assessed by a novel assay using a purchasable fluorescent substrate and thermal shift. Best compounds were tested in antimicrobial susceptibility assay. Using these orthogonal screening methods, we identified drugs that restored the activity of imipenem.
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The entry 5a5z is ON HOLD
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Approved Drugs Containing Thiols as Inhibitors of Metallo-beta-lactamases: Strategy To Combat Multidrug-Resistant Bacteria.,Klingler FM, Wichelhaus TA, Frank D, Cuesta-Bernal J, El-Delik J, Muller HF, Sjuts H, Gottig S, Koenigs A, Pos KM, Pogoryelov D, Proschak E J Med Chem. 2015 Apr 23;58(8):3626-30. doi: 10.1021/jm501844d. Epub 2015 Apr 13. PMID:25815530<ref>PMID:25815530</ref>
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Authors: Klingler, F.M., Wichelhaus, T.A., Frank, D., Cuesta-Bernal, J., El-Delik, J., Mueller, H.F., Sjuts, H., Goettig, S., Koenigs, A., Pogoryelov, D., Proschak, E.
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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Description: Approved Drugs Containing Thiols as Inhibitors of Metallo-beta-lactamases: Strategy To Combat Multidrug-Resistant Bacteria
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== References ==
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[[Category: Unreleased Structures]]
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<references/>
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[[Category: Proschak, E]]
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__TOC__
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</StructureSection>
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[[Category: Beta-lactamase]]
[[Category: Cuesta-Bernal, J]]
[[Category: Cuesta-Bernal, J]]
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[[Category: El-Delik, J]]
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[[Category: Frank, D]]
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[[Category: Goettig, S]]
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[[Category: Klingler, F M]]
[[Category: Koenigs, A]]
[[Category: Koenigs, A]]
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[[Category: Mueller, H F]]
[[Category: Pogoryelov, D]]
[[Category: Pogoryelov, D]]
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[[Category: Klingler, F.M]]
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[[Category: Proschak, E]]
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[[Category: Goettig, S]]
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[[Category: Sjuts, H]]
[[Category: Sjuts, H]]
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[[Category: Frank, D]]
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[[Category: Wichelhaus, T A]]
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[[Category: El-Delik, J]]
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[[Category: Hydrolase]]
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[[Category: Mueller, H.F]]
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[[Category: Metallo-beta-lactamase]]
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[[Category: Wichelhaus, T.A]]
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[[Category: Ndm-1]]
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[[Category: New delhi metallo- beta-lactamase 1]]
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[[Category: Tiopronin]]

Revision as of 14:43, 8 July 2015

Approved Drugs Containing Thiols as Inhibitors of Metallo-beta- lactamases: Strategy To Combat Multidrug-Resistant Bacteria

5a5z, resolution 2.60Å

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