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7z4v
From Proteopedia
(Difference between revisions)
(New page: '''Unreleased structure''' The entry 7z4v is ON HOLD Authors: Nawrotek, A., Vuillard, L., Miallau, L. Description: Structure of Serine-Threonine kinase STK25 in complex with compound [...) |
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| - | '''Unreleased structure''' | ||
| - | + | ==Structure of Serine-Threonine kinase STK25 in complex with compound== | |
| + | <StructureSection load='7z4v' size='340' side='right'caption='[[7z4v]], [[Resolution|resolution]] 1.64Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[7z4v]] 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=7Z4V OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7Z4V 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]] 1.644Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=IB5:~{N}-(5-~{tert}-butyl-1~{H}-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide'>IB5</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</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=7z4v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7z4v OCA], [https://pdbe.org/7z4v PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7z4v RCSB], [https://www.ebi.ac.uk/pdbsum/7z4v PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7z4v ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/STK25_HUMAN STK25_HUMAN] Oxidant stress-activated serine/threonine kinase that may play a role in the response to environmental stress. Targets to the Golgi apparatus where it appears to regulate protein transport events, cell adhesion, and polarity complexes important for cell migration.<ref>PMID:15037601</ref> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | We describe the synthesis of a series of 3-t-butyl 5-aminopyrazole p-substituted arylamides as inhibitors of serine-threonine25 (STK25), an enzyme implicated in the progression of non-alcoholic fatty liver disease (NAFLD). Appending a p-N-pyrrolidinosulphonamide group to the arylamide group led to a 'first-in kind' inhibitor with IC50 = 228 nM. A co-crystal structure with STK 25 revealed productive interactions which were also reproduced using molecular docking. A new series of triazolo dihydro oxazine carboxamides of 3-t-butyl 5-aminopyrazole was not active against STK25. | ||
| - | + | Targeting non-alcoholic fatty liver disease: Design, X-ray co-crystal structure and synthesis of 'first-in-kind' inhibitors of serine/threonine kinase25.,Kiyeleko S, Hocine S, Mautino G, Kuenemann M, Nawrotek A, Miallau L, Vuillard LM, Mirguet O, Kotschy A, Hanessian S Bioorg Med Chem Lett. 2022 Aug 24;75:128950. doi: 10.1016/j.bmcl.2022.128950. PMID:36030002<ref>PMID:36030002</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| - | [[Category: | + | <div class="pdbe-citations 7z4v" style="background-color:#fffaf0;"></div> |
| - | [[Category: Miallau | + | |
| - | [[Category: Vuillard | + | ==See Also== |
| + | *[[Serine/threonine protein kinase 3D structures|Serine/threonine protein kinase 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Homo sapiens]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Miallau L]] | ||
| + | [[Category: Nawrotek A]] | ||
| + | [[Category: Vuillard L]] | ||
Current revision
Structure of Serine-Threonine kinase STK25 in complex with compound
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