2b07

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[[Image:2b07.gif|left|200px]]
 
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{{Structure
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==Crystal structure of PTP1B with Tricyclic Thiophene inhibitor.==
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|PDB= 2b07 |SIZE=350|CAPTION= <scene name='initialview01'>2b07</scene>, resolution 2.1&Aring;
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<StructureSection load='2b07' size='340' side='right'caption='[[2b07]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=598:6-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}-3-(CARBOXYMETHOXY)THIENO[3,2-B][1]BENZOTHIOPHENE-2-CARBOXYLIC ACID'>598</scene>
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<table><tr><td colspan='2'>[[2b07]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2B07 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2B07 FirstGlance]. <br>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Protein-tyrosine-phosphatase Protein-tyrosine-phosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.3.48 3.1.3.48]
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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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|GENE= PTPN1, PTP1B ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=598:6-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}-3-(CARBOXYMETHOXY)THIENO[3,2-B][1]BENZOTHIOPHENE-2-CARBOXYLIC+ACID'>598</scene></td></tr>
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}}
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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=2b07 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2b07 OCA], [https://pdbe.org/2b07 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2b07 RCSB], [https://www.ebi.ac.uk/pdbsum/2b07 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2b07 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/PTN1_HUMAN PTN1_HUMAN] Tyrosine-protein phosphatase which acts as a regulator of endoplasmic reticulum unfolded protein response. Mediates dephosphorylation of EIF2AK3/PERK; inactivating the protein kinase activity of EIF2AK3/PERK. May play an important role in CKII- and p60c-src-induced signal transduction cascades. May regulate the EFNA5-EPHA3 signaling pathway which modulates cell reorganization and cell-cell repulsion.<ref>PMID:21135139</ref> <ref>PMID:22169477</ref>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/b0/2b07_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2b07 ConSurf].
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<div style="clear:both"></div>
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'''Crystal structure of PTP1B with Tricyclic Thiophene inhibitor.'''
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==See Also==
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*[[Tyrosine phosphatase 3D structures|Tyrosine phosphatase 3D structures]]
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== References ==
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==Overview==
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<references/>
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A novel pyridothiophene inhibitor of PTP1B was discovered by rational screening of phosphotyrosine mimics at high micromolar concentrations. The potency of this lead compound has been improved significantly by medicinal chemistry guided by X-ray crystallography and molecular modeling. Excellent consistency has been observed between structure-activity relationships and structural information from PTP1B-inhibitor complexes.
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__TOC__
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</StructureSection>
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==Disease==
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Known diseases associated with this structure: Abdominal body fat distribution, modifier of OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=176885 176885]], Insulin resistance, susceptibility to OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=176885 176885]]
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==About this Structure==
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2B07 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2B07 OCA].
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==Reference==
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Bicyclic and tricyclic thiophenes as protein tyrosine phosphatase 1B inhibitors., Moretto AF, Kirincich SJ, Xu WX, Smith MJ, Wan ZK, Wilson DP, Follows BC, Binnun E, Joseph-McCarthy D, Foreman K, Erbe DV, Zhang YL, Tam SK, Tam SY, Lee J, Bioorg Med Chem. 2006 Apr 1;14(7):2162-77. Epub 2005 Nov 21. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16303309 16303309]
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Protein-tyrosine-phosphatase]]
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[[Category: Large Structures]]
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[[Category: Single protein]]
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[[Category: Binnun E]]
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[[Category: Binnun, E.]]
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[[Category: Erbe DV]]
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[[Category: Erbe, D V.]]
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[[Category: Follows BC]]
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[[Category: Follows, B C.]]
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[[Category: Foreman K]]
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[[Category: Foreman, K.]]
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[[Category: Joseph-McCarthy D]]
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[[Category: Joseph-McCarthy, D.]]
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[[Category: Kirincich SJ]]
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[[Category: Kirincich, S J.]]
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[[Category: Lee J]]
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[[Category: Lee, J.]]
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[[Category: Moretto AF]]
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[[Category: Moretto, A F.]]
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[[Category: Smith MJ]]
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[[Category: Smith, M J.]]
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[[Category: Tam SK]]
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[[Category: Tam, S K.]]
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[[Category: Tam SY]]
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[[Category: Tam, S Y.]]
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[[Category: Wan ZK]]
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[[Category: Wan, Z K.]]
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[[Category: Wilson DP]]
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[[Category: Wilson, D P.]]
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[[Category: Xu WX]]
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[[Category: Xu, W X.]]
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[[Category: Zhang YL]]
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[[Category: Zhang, Y L.]]
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[[Category: 598]]
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[[Category: hydrolyase]]
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[[Category: protein tyrosine phosphatase]]
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[[Category: tricyclic thiophene]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:56:01 2008''
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Current revision

Crystal structure of PTP1B with Tricyclic Thiophene inhibitor.

PDB ID 2b07

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