2azr
From Proteopedia
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==Crystal structure of PTP1B with Bicyclic Thiophene inhibitor== | ==Crystal structure of PTP1B with Bicyclic Thiophene inhibitor== | ||
| - | <StructureSection load='2azr' size='340' side='right' caption='[[2azr]], [[Resolution|resolution]] 2.00Å' scene=''> | + | <StructureSection load='2azr' size='340' side='right'caption='[[2azr]], [[Resolution|resolution]] 2.00Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>[[2azr]] is a 1 chain structure with sequence from [ | + | <table><tr><td colspan='2'>[[2azr]] 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=2AZR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2AZR FirstGlance]. <br> |
| - | </td></tr><tr id=' | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2Å</td></tr> |
| - | + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=982:3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC+ACID'>982</scene></td></tr> | |
| - | <tr id=' | + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2azr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2azr OCA], [https://pdbe.org/2azr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2azr RCSB], [https://www.ebi.ac.uk/pdbsum/2azr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2azr ProSAT]</span></td></tr> |
| - | + | ||
| - | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | + | |
</table> | </table> | ||
== Function == | == Function == | ||
| - | [ | + | [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> |
== Evolutionary Conservation == | == Evolutionary Conservation == | ||
[[Image:Consurf_key_small.gif|200px|right]] | [[Image:Consurf_key_small.gif|200px|right]] | ||
Check<jmol> | Check<jmol> | ||
<jmolCheckbox> | <jmolCheckbox> | ||
| - | <scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/az/2azr_consurf.spt"</scriptWhenChecked> | + | <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/az/2azr_consurf.spt"</scriptWhenChecked> |
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | ||
<text>to colour the structure by Evolutionary Conservation</text> | <text>to colour the structure by Evolutionary Conservation</text> | ||
</jmolCheckbox> | </jmolCheckbox> | ||
| - | </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/ | + | </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=2azr ConSurf]. |
<div style="clear:both"></div> | <div style="clear:both"></div> | ||
| - | <div style="background-color:#fffaf0;"> | ||
| - | == Publication Abstract from PubMed == | ||
| - | 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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| - | 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:16303309<ref>PMID:16303309</ref> | ||
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| - | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| - | </div> | ||
==See Also== | ==See Also== | ||
| - | *[[Tyrosine phosphatase|Tyrosine phosphatase]] | + | *[[Tyrosine phosphatase 3D structures|Tyrosine phosphatase 3D structures]] |
== References == | == References == | ||
<references/> | <references/> | ||
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</StructureSection> | </StructureSection> | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
| - | [[Category: | + | [[Category: Large Structures]] |
| - | [[Category: Binnun | + | [[Category: Binnun E]] |
| - | [[Category: Erbe | + | [[Category: Erbe DV]] |
| - | [[Category: Follows | + | [[Category: Follows BC]] |
| - | [[Category: Foreman | + | [[Category: Foreman K]] |
| - | [[Category: Joseph-McCarthy | + | [[Category: Joseph-McCarthy D]] |
| - | [[Category: Kirincich | + | [[Category: Kirincich SJ]] |
| - | [[Category: Lee | + | [[Category: Lee J]] |
| - | [[Category: Moretto | + | [[Category: Moretto AF]] |
| - | [[Category: Smith | + | [[Category: Smith MJ]] |
| - | [[Category: Tam | + | [[Category: Tam SK]] |
| - | [[Category: Tam | + | [[Category: Tam SY]] |
| - | [[Category: Wan | + | [[Category: Wan ZK]] |
| - | [[Category: Wilson | + | [[Category: Wilson DP]] |
| - | [[Category: Xu | + | [[Category: Xu WX]] |
| - | [[Category: Zhang | + | [[Category: Zhang YL]] |
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Current revision
Crystal structure of PTP1B with Bicyclic Thiophene inhibitor
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Categories: Homo sapiens | Large Structures | Binnun E | Erbe DV | Follows BC | Foreman K | Joseph-McCarthy D | Kirincich SJ | Lee J | Moretto AF | Smith MJ | Tam SK | Tam SY | Wan ZK | Wilson DP | Xu WX | Zhang YL
