3odk

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{{STRUCTURE_3odk| PDB=3odk | SCENE= }}
 
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===Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution===
 
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{{ABSTRACT_PUBMED_20932746}}
 
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==Function==
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==Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution==
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[[http://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>
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<StructureSection load='3odk' size='340' side='right'caption='[[3odk]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3odk]] 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=3ODK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3ODK FirstGlance]. <br>
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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]] 2.3&#8491;</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=ODK:3-PYRIDIN-2-YL-1H-PYRAZOLE-5-CARBOXYLIC+ACID'>ODK</scene>, <scene name='pdbligand=PE4:2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL'>PE4</scene></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=3odk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3odk OCA], [https://pdbe.org/3odk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3odk RCSB], [https://www.ebi.ac.uk/pdbsum/3odk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3odk ProSAT]</span></td></tr>
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</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>
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==About this Structure==
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==See Also==
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[[3odk]] 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=3ODK OCA].
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*[[Peptidyl-prolyl cis-trans isomerase 3D structures|Peptidyl-prolyl cis-trans isomerase 3D structures]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:020932746</ref><references group="xtra"/><references/>
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__TOC__
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</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: Nucleus]]
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[[Category: Oncogenic transformation]]
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[[Category: Phosphoprotein]]
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[[Category: Ppiase]]
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[[Category: Proline directed kinase]]
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[[Category: Rotamase]]
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[[Category: Sbdd]]
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[[Category: Small molecule]]
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Current revision

Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution

PDB ID 3odk

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