2bgd
From Proteopedia
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| - | [[Image:2bgd.gif|left|200px]]<br /><applet load="2bgd" size="350" color="white" frame="true" align="right" spinBox="true" | ||
| - | caption="2bgd, resolution 2.40Å" /> | ||
| - | '''STRUCTURE-BASED DESIGN OF PROTEIN TYROSINE PHOSPHATASE-1B INHIBITORS'''<br /> | ||
| - | == | + | ==Structure-based design of Protein Tyrosine Phosphatase-1B Inhibitors== |
| - | Using structure-based design, a new class of inhibitors of protein | + | <StructureSection load='2bgd' size='340' side='right'caption='[[2bgd]], [[Resolution|resolution]] 2.40Å' scene=''> |
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[2bgd]] 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=2BGD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2BGD 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]] 2.4Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=T1D:5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE+1,1-DIOXIDE'>T1D</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=2bgd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bgd OCA], [https://pdbe.org/2bgd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2bgd RCSB], [https://www.ebi.ac.uk/pdbsum/2bgd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2bgd 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/bg/2bgd_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=2bgd ConSurf]. | ||
| + | <div style="clear:both"></div> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Using structure-based design, a new class of inhibitors of protein tyrosine phosphatase-1B (PTP1B) has been identified, which incorporate the 1,2,5-thiadiazolidin-3-one-1,1-dioxide template. | ||
| - | + | Structure-based design of protein tyrosine phosphatase-1B inhibitors.,Black E, Breed J, Breeze AL, Embrey K, Garcia R, Gero TW, Godfrey L, Kenny PW, Morley AD, Minshull CA, Pannifer AD, Read J, Rees A, Russell DJ, Toader D, Tucker J Bioorg Med Chem Lett. 2005 May 16;15(10):2503-7. PMID:15863305<ref>PMID:15863305</ref> | |
| - | + | ||
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| + | <div class="pdbe-citations 2bgd" 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: | + | [[Category: Large Structures]] |
| - | + | [[Category: Black E]] | |
| - | [[Category: Black | + | [[Category: Breed J]] |
| - | [[Category: Breed | + | [[Category: Breeze AL]] |
| - | [[Category: Breeze | + | [[Category: Embrey K]] |
| - | [[Category: Embrey | + | [[Category: Garcia R]] |
| - | [[Category: Garcia | + | [[Category: Gero TW]] |
| - | [[Category: Gero | + | [[Category: Godfrey L]] |
| - | [[Category: Godfrey | + | [[Category: Kenny PW]] |
| - | [[Category: Kenny | + | [[Category: Minshull CA]] |
| - | [[Category: Minshull | + | [[Category: Morley AD]] |
| - | [[Category: Morley | + | [[Category: Pannifer AD]] |
| - | [[Category: Pannifer | + | [[Category: Read J]] |
| - | [[Category: Read | + | [[Category: Rees A]] |
| - | [[Category: Rees | + | [[Category: Russell DJ]] |
| - | [[Category: Russell | + | [[Category: Toader D]] |
| - | [[Category: Toader | + | [[Category: Tucker J]] |
| - | [[Category: Tucker | + | |
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Current revision
Structure-based design of Protein Tyrosine Phosphatase-1B Inhibitors
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Categories: Homo sapiens | Large Structures | Black E | Breed J | Breeze AL | Embrey K | Garcia R | Gero TW | Godfrey L | Kenny PW | Minshull CA | Morley AD | Pannifer AD | Read J | Rees A | Russell DJ | Toader D | Tucker J
