3wxc: Difference between revisions

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'''Unreleased structure'''
==Crystal Structure of IMP-1 metallo-beta-lactamase complexed with a 3-aminophtalic acid inhibitor==
<StructureSection load='3wxc' size='340' side='right' caption='[[3wxc]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[3wxc]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WXC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WXC FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=C93:3-(4-HYDROXYPIPERIDIN-1-YL)BENZENE-1,2-DICARBOXYLIC+ACID'>C93</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
<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>
<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=3wxc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wxc OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3wxc RCSB], [http://www.ebi.ac.uk/pdbsum/3wxc PDBsum]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
3-(4-Hydroxypiperidine-1-yl) phthalic acid 1 shows potent inhibitory activity against metallo-beta-lactamase, which is known to inactivate beta-lactam antibiotics such as carbapenems. Here, the structure of co-crystals of the metallo-beta-lactamase IMP-1 and 1 was first analyzed by X-ray crystallography, and then used for structure-based drug design. Four novel compounds bearing substituents at the 6-position were synthesized to produce 3,6-disubstituted phthalic acid derivatives, and their IMP-1 inhibitory activity and synergistic effect with the carbapenem biapenem (BIPM) were evaluated. 3,6-Disubstituted phthalic acid derivatives showed potent IMP-1 inhibitory activity. In particular, compound 13 showed 10-fold higher IMP-1 inhibitory activity as compared with the parent derivative 1.


The entry 3wxc is ON HOLD  until Paper Publication
X-ray crystallographic analysis of IMP-1 metallo-beta-lactamase complexed with a 3-aminophthalic acid derivative, structure-based drug design, and synthesis of 3,6-disubstituted phthalic acid derivative inhibitors.,Hiraiwa Y, Saito J, Watanabe T, Yamada M, Morinaka A, Fukushima T, Kudo T Bioorg Med Chem Lett. 2014 Oct 15;24(20):4891-4. doi: 10.1016/j.bmcl.2014.08.039., Epub 2014 Sep 6. PMID:25246278<ref>PMID:25246278</ref>


Authors: Saito, J., Watanabe, T., Yamada, M.
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 
</div>
Description: Protein/Inhibitor complex
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Beta-lactamase]]
[[Category: Saito, J.]]
[[Category: Watanabe, T.]]
[[Category: Yamada, M.]]
[[Category: Hydrolase-hydrolase inhibitor complex]]
[[Category: Lactamase]]
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