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2cnf

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==STRUCTURAL INSIGHTS INTO THE DESIGN OF NONPEPTIDIC ISOTHIAZOLIDINONE-CONTAINING INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B==
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<StructureSection load='2cnf' size='340' side='right' caption='[[2cnf]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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==Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B==
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<StructureSection load='2cnf' size='340' side='right'caption='[[2cnf]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[2cnf]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CNF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2CNF FirstGlance]. <br>
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<table><tr><td colspan='2'>[[2cnf]] 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=2CNF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2CNF FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=F32:(5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL-2-YL)-2-(1,3-BENZOTHIAZOL-2-YLAMINO)ETHYL]PHENYL}ISOTHIAZOLIDIN-3-ONE+1,1-DIOXIDE'>F32</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
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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]] 2.2&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1a5y|1a5y]], [[1aax|1aax]], [[1bzc|1bzc]], [[1bzh|1bzh]], [[1bzj|1bzj]], [[1c83|1c83]], [[1c84|1c84]], [[1c85|1c85]], [[1c86|1c86]], [[1c87|1c87]], [[1c88|1c88]], [[1ecv|1ecv]], [[1een|1een]], [[1eeo|1eeo]], [[1g1f|1g1f]], [[1g1g|1g1g]], [[1g1h|1g1h]], [[1g7f|1g7f]], [[1g7g|1g7g]], [[1gfy|1gfy]], [[1i57|1i57]], [[1jf7|1jf7]], [[1kak|1kak]], [[1kav|1kav]], [[1l8g|1l8g]], [[1lqf|1lqf]], [[1nl9|1nl9]], [[1nny|1nny]], [[1no6|1no6]], [[1nwe|1nwe]], [[1nwl|1nwl]], [[1nz7|1nz7]], [[1oem|1oem]], [[1oeo|1oeo]], [[1oes|1oes]], [[1oet|1oet]], [[1oeu|1oeu]], [[1oev|1oev]], [[1ony|1ony]], [[1onz|1onz]], [[1pa1|1pa1]], [[1ph0|1ph0]], [[1ptt|1ptt]], [[1ptu|1ptu]], [[1ptv|1ptv]], [[1pty|1pty]], [[1pxh|1pxh]], [[1pyn|1pyn]], [[1q1m|1q1m]], [[1q6j|1q6j]], [[1q6m|1q6m]], [[1q6n|1q6n]], [[1q6p|1q6p]], [[1q6s|1q6s]], [[1q6t|1q6t]], [[1qxk|1qxk]], [[1sug|1sug]], [[1t48|1t48]], [[1t49|1t49]], [[1t4j|1t4j]], [[1wax|1wax]], [[1xbo|1xbo]], [[2azr|2azr]], [[2b07|2b07]], [[2b4s|2b4s]], [[2bgd|2bgd]], [[2bge|2bge]], [[2cm2|2cm2]], [[2cm3|2cm3]], [[2cm7|2cm7]], [[2cm8|2cm8]], [[2cma|2cma]], [[2cmb|2cmb]], [[2cmc|2cmc]], [[2cne|2cne]], [[2f6f|2f6f]], [[2f6t|2f6t]], [[2f6v|2f6v]], [[2f6w|2f6w]], [[2f6y|2f6y]], [[2f6z|2f6z]], [[2f70|2f70]], [[2f71|2f71]], [[2fjm|2fjm]], [[2fjn|2fjn]], [[2hnp|2hnp]], [[2hnq|2hnq]]</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=F32:(5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL-2-YL)-2-(1,3-BENZOTHIAZOL-2-YLAMINO)ETHYL]PHENYL}ISOTHIAZOLIDIN-3-ONE+1,1-DIOXIDE'>F32</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[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] </span></td></tr>
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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=2cnf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2cnf OCA], [https://pdbe.org/2cnf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2cnf RCSB], [https://www.ebi.ac.uk/pdbsum/2cnf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2cnf ProSAT]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2cnf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2cnf OCA], [http://pdbe.org/2cnf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2cnf RCSB], [http://www.ebi.ac.uk/pdbsum/2cnf PDBsum]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://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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[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>
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<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/cn/2cnf_consurf.spt"</scriptWhenChecked>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/cn/2cnf_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>
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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/chain_selection.php?pdb_ID=2ata ConSurf].
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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=2cnf ConSurf].
<div style="clear:both"></div>
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
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==See Also==
==See Also==
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*[[Tyrosine phosphatase|Tyrosine phosphatase]]
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*[[Tyrosine phosphatase 3D structures|Tyrosine phosphatase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Human]]
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[[Category: Homo sapiens]]
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[[Category: Protein-tyrosine-phosphatase]]
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[[Category: Large Structures]]
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[[Category: Ala, P J]]
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[[Category: Ala PJ]]
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[[Category: Becker-Pasha, M]]
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[[Category: Becker-Pasha M]]
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[[Category: Burn, T C]]
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[[Category: Burn TC]]
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[[Category: Combs, A P]]
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[[Category: Combs AP]]
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[[Category: Crawley, M L]]
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[[Category: Crawley ML]]
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[[Category: Douty, B]]
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[[Category: Douty B]]
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[[Category: Glass, B]]
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[[Category: Glass B]]
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[[Category: Gonneville, L]]
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[[Category: Gonneville L]]
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[[Category: Hillman, M]]
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[[Category: Hillman M]]
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[[Category: Hollis, G F]]
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[[Category: Hollis GF]]
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[[Category: Mclaughlin, E]]
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[[Category: McLaughlin E]]
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[[Category: Polam, P]]
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[[Category: Polam P]]
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[[Category: Sparks, R B]]
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[[Category: Sparks RB]]
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[[Category: Takvorian, A]]
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[[Category: Takvorian A]]
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[[Category: Wayland, B]]
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[[Category: Wayland B]]
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[[Category: Wynn, R]]
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[[Category: Wynn R]]
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[[Category: Yue, E W]]
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[[Category: Yue EW]]
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[[Category: Endoplasmic reticulum]]
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[[Category: Hydrolase]]
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[[Category: Oxidation]]
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[[Category: Phosphatase]]
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[[Category: Phosphorylation]]
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[[Category: Protein phosphatase]]
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Current revision

Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B

PDB ID 2cnf

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