2ydu

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[[Image:2ydu.jpg|left|200px]]
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==CRYSTAL STRUCTURE OF YOPH IN COMPLEX WITH 3-(1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL)BENZALDEYDE==
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<StructureSection load='2ydu' size='340' side='right' caption='[[2ydu]], [[Resolution|resolution]] 1.79&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2ydu]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Yersinia_pestis Yersinia pestis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YDU OCA]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=79W:3-[(2S)-1,1-DIOXIDO-4-OXOTETRAHYDROTHIOPHEN-2-YL]BENZALDEHYDE'>79W</scene><br>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1qz0|1qz0]], [[2y2f|2y2f]]</td></tr>
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<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span></td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ydu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ydu OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2ydu RCSB], [http://www.ebi.ac.uk/pdbsum/2ydu PDBsum]</span></td></tr>
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<table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Isothiazolidinone (IZD) heterocycles can act as effective components of protein tyrosine phosphatase (PTP) inhibitors by simultaneously replicating the binding interactions of both a phosphoryl group and a highly conserved water molecule, as exemplified by the structures of several PTP1B-inhibitor complexes. In the first unambiguous demonstration of IZD interactions with a PTP other than PTP1B, it is shown by X-ray crystallography that the IZD motif binds within the catalytic site of the Yersinia pestis PTP YopH by similarly displacing a highly conserved water molecule. It is also shown that IZD-based bidentate ligands can inhibit YopH in a nonpromiscuous fashion at low micromolar concentrations. Hence, the IZD moiety may represent a useful starting point for the development of YopH inhibitors.
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Isothiazolidinone (IZD) as a phosphoryl mimetic in inhibitors of the Yersinia pestis protein tyrosine phosphatase YopH.,Kim SE, Bahta M, Lountos GT, Ulrich RG, Burke TR Jr, Waugh DS Acta Crystallogr D Biol Crystallogr. 2011 Jul;67(Pt 7):639-45. doi:, 10.1107/S0907444911018610. Epub 2011 Jun 11. PMID:21697602<ref>PMID:21697602</ref>
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The line below this paragraph, containing "STRUCTURE_2ydu", creates the "Structure Box" on the page.
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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or leave the SCENE parameter empty for the default display.
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{{STRUCTURE_2ydu| PDB=2ydu | SCENE= }}
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===CRYSTAL STRUCTURE OF YOPH IN COMPLEX WITH 3-(1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL)BENZALDEYDE===
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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</div>
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== References ==
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<references/>
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The line below this paragraph, {{ABSTRACT_PUBMED_21697602}}, adds the Publication Abstract to the page
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__TOC__
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(as it appears on PubMed at http://www.pubmed.gov), where 21697602 is the PubMed ID number.
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</StructureSection>
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{{ABSTRACT_PUBMED_21697602}}
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==About this Structure==
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[[2ydu]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Yersinia_pestis Yersinia pestis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YDU OCA].
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==Reference==
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<ref group="xtra">PMID:021697602</ref><references group="xtra"/>
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[[Category: Yersinia pestis]]
[[Category: Yersinia pestis]]
[[Category: Bahta, M.]]
[[Category: Bahta, M.]]

Revision as of 07:52, 14 May 2014

CRYSTAL STRUCTURE OF YOPH IN COMPLEX WITH 3-(1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL)BENZALDEYDE

2ydu, resolution 1.79Å

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