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2xp6

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==DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION==
==DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION==
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<StructureSection load='2xp6' size='340' side='right' caption='[[2xp6]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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<StructureSection load='2xp6' size='340' side='right'caption='[[2xp6]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[2xp6]] 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=2XP6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2XP6 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[2xp6]] 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=2XP6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2XP6 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=12P:DODECAETHYLENE+GLYCOL'>12P</scene>, <scene name='pdbligand=4G2:2-(3-CHLORO-PHENYL)-5-METHYL-1H-IMIDAZOLE-4-CARBOXYLIC+ACID'>4G2</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]] 1.9&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1f8a|1f8a]], [[1i8g|1i8g]], [[1pin|1pin]], [[2xpb|2xpb]], [[2xp3|2xp3]], [[2xp5|2xp5]], [[1nmw|1nmw]], [[2xp4|2xp4]], [[1zcn|1zcn]], [[2f21|2f21]], [[2xp8|2xp8]], [[1nmv|1nmv]], [[2xp9|2xp9]], [[2xp7|2xp7]], [[1i8h|1i8h]], [[2xpa|2xpa]], [[1i6c|1i6c]]</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=12P:DODECAETHYLENE+GLYCOL'>12P</scene>, <scene name='pdbligand=4G2:2-(3-CHLORO-PHENYL)-5-METHYL-1H-IMIDAZOLE-4-CARBOXYLIC+ACID'>4G2</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/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] </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=2xp6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xp6 OCA], [https://pdbe.org/2xp6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2xp6 RCSB], [https://www.ebi.ac.uk/pdbsum/2xp6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2xp6 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=2xp6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xp6 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2xp6 RCSB], [http://www.ebi.ac.uk/pdbsum/2xp6 PDBsum]</span></td></tr>
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</table>
</table>
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== Function ==
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[https://www.uniprot.org/uniprot/PIN1_HUMAN PIN1_HUMAN] Essential PPIase that regulates mitosis presumably by interacting with NIMA and attenuating its mitosis-promoting activity. Displays a preference for an acidic residue N-terminal to the isomerized proline bond. Catalyzes pSer/Thr-Pro cis/trans isomerizations. Down-regulates kinase activity of BTK. Can transactivate multiple oncogenes and induce centrosome amplification, chromosome instability and cell transformation. Required for the efficient dephosphorylation and recycling of RAF1 after mitogen activation.<ref>PMID:15664191</ref> <ref>PMID:16644721</ref> <ref>PMID:21497122</ref>
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
</div>
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<div class="pdbe-citations 2xp6" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Peptidyl-prolyl cis-trans isomerase 3D structures|Peptidyl-prolyl cis-trans isomerase 3D structures]]
== References ==
== References ==
<references/>
<references/>
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</StructureSection>
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Peptidylprolyl isomerase]]
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[[Category: Large Structures]]
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[[Category: Baker, L.]]
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[[Category: Baker L]]
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[[Category: Bryant, C J.]]
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[[Category: Bryant CJ]]
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[[Category: Davis, B E.]]
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[[Category: Davis BE]]
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[[Category: Dokurno, P.]]
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[[Category: Dokurno P]]
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[[Category: Fromont, C.]]
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[[Category: Fromont C]]
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[[Category: Matossova, N.]]
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[[Category: Matossova N]]
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[[Category: Moore, J D.]]
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[[Category: Moore JD]]
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[[Category: Murray, J B.]]
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[[Category: Murray JB]]
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[[Category: Northfield, C J.]]
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[[Category: Northfield CJ]]
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[[Category: Nunns, C.]]
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[[Category: Nunns C]]
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[[Category: Oldfield, V.]]
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[[Category: Oldfield V]]
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[[Category: Potter, A.]]
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[[Category: Potter A]]
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[[Category: Ray, S.]]
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[[Category: Ray S]]
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[[Category: Richardson, C M.]]
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[[Category: Richardson CM]]
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[[Category: Robinson, D.]]
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[[Category: Robinson D]]
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[[Category: Scrace, S F.]]
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[[Category: Scrace SF]]
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[[Category: Surgenor, A E.]]
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[[Category: Surgenor AE]]
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[[Category: Cell cycle]]
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[[Category: Isomerase]]
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[[Category: Oncogenic transformation]]
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[[Category: Proline directed kinase]]
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Current revision

DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION

PDB ID 2xp6

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