2vex: Difference between revisions

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-[[Image:2vex.png|left|200px]]
-{{STRUCTURE_2vex|  PDB=2vex  |  SCENE=  }}
+==CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR==
+<StructureSection load='2vex' size='340' side='right'caption='[[2vex]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[2vex]] 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=2VEX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2VEX FirstGlance]. <br>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.2&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=IZ4:N-{(1S)-2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}-1-[(4R)-4-(2-PHENYLETHYL)-4,5-DIHYDRO-1H-IMIDAZOL-2-YL]ETHYL}-3-FLUOROBENZENESULFONAMIDE'>IZ4</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></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=2vex FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vex OCA], [https://pdbe.org/2vex PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2vex RCSB], [https://www.ebi.ac.uk/pdbsum/2vex PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2vex ProSAT]</span></td></tr>
+</table>
+== 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 ==
+[[Image:Consurf_key_small.gif|200px|right]]
+Check<jmol>
+  <jmolCheckbox>
+    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ve/2vex_consurf.spt"</scriptWhenChecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
+    <text>to colour the structure by Evolutionary Conservation</text>
+  </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/main_output.php?pdb_ID=2vex ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+The structure-based design and synthesis of isothiazolidinone (IZD) inhibitors of PTP1B containing imidazoles and imidazolines and their modification to interact with the B site of PTP1B are described here. The X-ray crystal structures of 3I and 4I complexed with PTP1B were solved and revealed the inhibitors are interacting extensively with the B site of the enzyme.
-===CRYSTAL STRUCUTRE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR===
+Isothiazolidinone inhibitors of PTP1B containing imidazoles and imidazolines.,Douty B, Wayland B, Ala PJ, Bower MJ, Pruitt J, Bostrom L, Wei M, Klabe R, Gonneville L, Wynn R, Burn TC, Liu PC, Combs AP, Yue EW Bioorg Med Chem Lett. 2008 Jan 1;18(1):66-71. Epub 2007 Nov 9. PMID:18037290<ref>PMID:18037290</ref>
-{{ABSTRACT_PUBMED_18037290}}
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-==About this Structure==
+<div class="pdbe-citations 2vex" style="background-color:#fffaf0;"></div>
-[[2vex]] is a 1 chain structure with 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=2VEX OCA].
 ==See Also==
-*[[Tyrosine phosphatase|Tyrosine phosphatase]]
+*[[Tyrosine phosphatase 3D structures|Tyrosine phosphatase 3D structures]]
+== References ==
-==Reference==
+<references/>
-<ref group="xtra">PMID:018037290</ref><references group="xtra"/>
+__TOC__
+</StructureSection>
 [[Category: Homo sapiens]]
-[[Category: Protein-tyrosine-phosphatase]]
+[[Category: Large Structures]]
-[[Category: Ala, P J.]]
+[[Category: Ala PJ]]
-[[Category: Bostrom, L.]]
+[[Category: Bostrom L]]
-[[Category: Bower, M J.]]
+[[Category: Bower MJ]]
-[[Category: Burn, T C.]]
+[[Category: Burn TC]]
-[[Category: Combs, A P.]]
+[[Category: Combs AP]]
-[[Category: Douty, B.]]
+[[Category: Douty B]]
-[[Category: Gonneville, L.]]
+[[Category: Gonneville L]]
-[[Category: Klabe, R.]]
+[[Category: Klabe R]]
-[[Category: Liu, P C.C.]]
+[[Category: Liu PCC]]
-[[Category: Pruitt, J.]]
+[[Category: Pruitt J]]
-[[Category: Wayland, B.]]
+[[Category: Wayland B]]
-[[Category: Wei, M.]]
+[[Category: Wei M]]
-[[Category: Wynn, R.]]
+[[Category: Wynn R]]
-[[Category: Yue, E W.]]
+[[Category: Yue EW]]
-[[Category: Endoplasmic reticulum]]
-[[Category: Hydrolase]]
-[[Category: Membrane]]
-[[Category: Oxidation]]
-[[Category: Phosphatase]]
-[[Category: Phosphorylation]]
-[[Category: Protein phosphatase]]