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New page: left|200px<br /> <applet load="2veu" size="450" color="white" frame="true" align="right" spinBox="true" caption="2veu, resolution 2.4Å" /> '''CRYSTAL STRUCTURE OF...
 
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[[Image:2veu.gif|left|200px]]<br />
<applet load="2veu" size="450" color="white" frame="true" align="right" spinBox="true"
caption="2veu, resolution 2.4&Aring;" />
'''CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR'''<br />


==Disease==
==Crystal structure of protein tyrosine phosphatase 1B in complex with an isothiazolidinone-containing inhibitor==
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]]
<StructureSection load='2veu' size='340' side='right'caption='[[2veu]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[2veu]] 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=2VEU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2VEU 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]] 2.4&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=IZ1:N-[(1S)-2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}-1-(4-PHENYL-1H-IMIDAZOL-2-YL)ETHYL]-3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE'>IZ1</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=2veu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2veu OCA], [https://pdbe.org/2veu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2veu RCSB], [https://www.ebi.ac.uk/pdbsum/2veu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2veu 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/2veu_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=2veu 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.


==About this Structure==
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>
2VEU is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with IZ1 as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Structure known Active Site: AC1. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2VEU OCA].
 
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 2veu" style="background-color:#fffaf0;"></div>
 
==See Also==
*[[Tyrosine phosphatase 3D structures|Tyrosine phosphatase 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Protein-tyrosine-phosphatase]]
[[Category: Large Structures]]
[[Category: Single protein]]
[[Category: Ala PJ]]
[[Category: Ala, P.J.]]
[[Category: Bostrom L]]
[[Category: Bostrom, L.]]
[[Category: Bower MJ]]
[[Category: Bower, M.J.]]
[[Category: Burn TC]]
[[Category: Burn, T.C.]]
[[Category: Combs AP]]
[[Category: Combs, A.P.]]
[[Category: Douty B]]
[[Category: Douty, B.]]
[[Category: Gonneville L]]
[[Category: Gonneville, L.]]
[[Category: Klabe R]]
[[Category: Klabe, R.]]
[[Category: Liu PCC]]
[[Category: Liu, P.C.C.]]
[[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 EW]]
[[Category: Yue, E.W.]]
[[Category: IZ1]]
[[Category: acetylation]]
[[Category: endoplasmic reticulum]]
[[Category: hydrolase]]
[[Category: membrane]]
[[Category: oxidation]]
[[Category: phosphatase]]
[[Category: phosphorylation]]
[[Category: polymorphism]]
[[Category: protein phosphatase]]
 
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