3wxc

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Current revision (08:47, 20 March 2024) (edit) (undo)
 
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<StructureSection load='3wxc' size='340' side='right'caption='[[3wxc]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
<StructureSection load='3wxc' size='340' side='right'caption='[[3wxc]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3wxc]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/"bacillus_aeruginosus"_(schroeter_1872)_trevisan_1885 "bacillus aeruginosus" (schroeter 1872) trevisan 1885]. 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 [https://proteopedia.org/fgij/fg.htm?mol=3WXC FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3wxc]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa]. 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 [https://proteopedia.org/fgij/fg.htm?mol=3WXC FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.1&#8491;</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">blaIMP-1, bla IMP, bla-imp, blaESP, imp ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=287 "Bacillus aeruginosus" (Schroeter 1872) Trevisan 1885])</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Beta-lactamase Beta-lactamase], with EC number [https://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'>[https://proteopedia.org/fgij/fg.htm?mol=3wxc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wxc OCA], [https://pdbe.org/3wxc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wxc RCSB], [https://www.ebi.ac.uk/pdbsum/3wxc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wxc ProSAT]</span></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3wxc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wxc OCA], [https://pdbe.org/3wxc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wxc RCSB], [https://www.ebi.ac.uk/pdbsum/3wxc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wxc ProSAT]</span></td></tr>
</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/Q79MP6_PSEAI Q79MP6_PSEAI]
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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.
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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>
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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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<div class="pdbe-citations 3wxc" style="background-color:#fffaf0;"></div>
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==See Also==
==See Also==
*[[Beta-lactamase 3D structures|Beta-lactamase 3D structures]]
*[[Beta-lactamase 3D structures|Beta-lactamase 3D structures]]
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== References ==
 
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<references/>
 
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Beta-lactamase]]
 
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Saito, J]]
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[[Category: Pseudomonas aeruginosa]]
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[[Category: Watanabe, T]]
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[[Category: Saito J]]
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[[Category: Yamada, M]]
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[[Category: Watanabe T]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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[[Category: Yamada M]]
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[[Category: Lactamase]]
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Current revision

Crystal Structure of IMP-1 metallo-beta-lactamase complexed with a 3-aminophtalic acid inhibitor

PDB ID 3wxc

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OCA

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