4cqg
From Proteopedia
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| - | ''' | + | ==The crystal structure of MPK38 in complex with OTSSP167, an orally- administrative MELK selective inhibitor== |
| + | <StructureSection load='4cqg' size='340' side='right' caption='[[4cqg]], [[Resolution|resolution]] 2.57Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4cqg]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4CQG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4CQG FirstGlance]. <br> | ||
| + | </td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=OT5:1-[6-(3,5-DICHLORO-4-HYDROXYPHENYL)-4-({TRANS-4-[(DIMETHYLAMINO)METHYL]CYCLOHEXYL}AMINO)-1,5-NAPHTHYRIDIN-3-YL]ETHANONE'>OT5</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br> | ||
| + | <tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4cqg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4cqg OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4cqg RCSB], [http://www.ebi.ac.uk/pdbsum/4cqg PDBsum]</span></td></tr> | ||
| + | <table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Murine protein serine/threonine kinase 38 (MPK38), also known as maternal embryonic leucine zipper kinase (MELK), has been associated with various human cancers and plays an important role in the formation of cancer stem cells. OTSSP167, a MELK selective inhibitor, exhibits a strong in vitro activity, conferring an IC50 of 0.41nM and in vivo effect on various human cancer xenograft models. Here, we report the crystal structure of MPK38 (T167E), an active mutant, in complex with OTSSP167 and describe its detailed protein-inhibitor interactions. Comparison with the previous determined structure of MELK bound to the nanomolar inhibitors shows that OTSSP167 effectively fits into the active site, thus offering an opportunity for structure-based development and optimization of MELK inhibitors. | ||
| - | The | + | The crystal structure of MPK38 in complex with OTSSP167, an orally administrative MELK selective inhibitor.,Cho YS, Kang Y, Kim K, Cha YJ, Cho HS Biochem Biophys Res Commun. 2014 Apr 25;447(1):7-11. doi:, 10.1016/j.bbrc.2014.03.034. Epub 2014 Mar 18. PMID:24657156<ref>PMID:24657156</ref> |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | == References == | |
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Cho, H S.]] | ||
| + | [[Category: Cho, Y S.]] | ||
| + | [[Category: Kang, Y J.]] | ||
| + | [[Category: Transferase]] | ||
Revision as of 07:18, 9 July 2014
The crystal structure of MPK38 in complex with OTSSP167, an orally- administrative MELK selective inhibitor
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