5nai: Difference between revisions

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'''Unreleased structure'''


The entry 5nai is ON HOLD  until Paper Publication
==mono-Zinc VIM-5 metallo-beta-lactamase in complex with (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-D-tryptophan (Compound 1)==
<StructureSection load='5nai' size='340' side='right' caption='[[5nai]], [[Resolution|resolution]] 1.15&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5nai]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5NAI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5NAI FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=93W:(2~{R})-2-[(1-CHLORANYL-4-OXIDANYL-ISOQUINOLIN-3-YL)CARBONYLAMINO]-3-(1~{H}-INDOL-3-YL)PROPANOIC+ACID'>93W</scene>, <scene name='pdbligand=F:FLUORIDE+ION'>F</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSD:3-SULFINOALANINE'>CSD</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=5nai FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5nai OCA], [http://pdbe.org/5nai PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5nai RCSB], [http://www.ebi.ac.uk/pdbsum/5nai PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5nai ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Crystallographic analyses of the VIM-5 metallo-beta-lactamase (MBL) with isoquinoline inhibitors reveal non zinc ion binding modes. Comparison with other MBL-inhibitor structures directed addition of a zinc-binding thiol enabling identification of potent B1 MBL inhibitors. The inhibitors potentiate meropenem activity against clinical isolates harboring MBLs.


Authors: Li, G.-B., Brem, J., McDonough, M.A., Schofield, C.J.
Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.,Li GB, Brem J, Lesniak R, Abboud MI, Lohans CT, Clifton IJ, Yang SY, Jimenez-Castellanos JC, Avison MB, Spencer J, McDonough MA, Schofield CJ Chem Commun (Camb). 2017 May 4. doi: 10.1039/c7cc02394d. PMID:28470248<ref>PMID:28470248</ref>


Description: mono-Zinc VIM-5 metallo-beta-lactamase in complex with (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-D-tryptophan (Compound 1)
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
[[Category: Li, G.-B]]
<div class="pdbe-citations 5nai" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Brem, J]]
[[Category: Brem, J]]
[[Category: Mcdonough, M.A]]
[[Category: Li, G B]]
[[Category: Schofield, C.J]]
[[Category: McDonough, M A]]
[[Category: Schofield, C J]]
[[Category: Antibiotic resistance]]
[[Category: Complex]]
[[Category: Hydrolase]]
[[Category: Inhibitor]]
[[Category: Metallo-beta-lactamase]]
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