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2ydu

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'''Unreleased structure'''
 
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The entry 2ydu is ON HOLD until Paper Publication
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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 [https://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]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2YDU FirstGlance]. <br>
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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]] 1.79&#8491;</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=79W:3-[(2S)-1,1-DIOXIDO-4-OXOTETRAHYDROTHIOPHEN-2-YL]BENZALDEHYDE'>79W</scene></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=2ydu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ydu OCA], [https://pdbe.org/2ydu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2ydu RCSB], [https://www.ebi.ac.uk/pdbsum/2ydu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2ydu ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/O68720_YERPE O68720_YERPE]
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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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Authors: Lountos, G.T., Kim, S.E., Bahta, M., Ulrich, R.G., Waugh, D.S., Burke, T.R.
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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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Description: Crystal structure of YopH in complex with 3-(1,1-dioxido-3-oxoisothiazolidin-5-yl)benzaldeyde
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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 2ydu" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
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[[Category: Yersinia pestis]]
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[[Category: Bahta M]]
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[[Category: Burke TR]]
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[[Category: Kim SE]]
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[[Category: Lountos GT]]
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[[Category: Ulrich RG]]
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[[Category: Waugh DS]]

Current revision

Crystal structure of YopH in complex with 3-(1,1-dioxido-3- oxoisothiazolidin-5-yl)benzaldeyde

PDB ID 2ydu

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