6yll: Difference between revisions

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
-The entry 6yll is ON HOLD
+==Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhibitors==
+<StructureSection load='6yll' size='340' side='right'caption='[[6yll]], [[Resolution|resolution]] 2.89&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[6yll]] is a 2 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=6YLL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6YLL 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]] 2.89&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=OYB:~{N}4-[3-(4-methoxyphenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]cyclohexane-1,4-diamine'>OYB</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=6yll FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yll OCA], [https://pdbe.org/6yll PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6yll RCSB], [https://www.ebi.ac.uk/pdbsum/6yll PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6yll ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/MK06_HUMAN MK06_HUMAN] Atypical MAPK protein. Phosphorylates microtubule-associated protein 2 (MAP2) and MAPKAPK5. The precise role of the complex formed with MAPKAPK5 is still unclear, but the complex follows a complex set of phosphorylation events: upon interaction with atypical MAPKAPK5, ERK3/MAPK6 is phosphorylated at Ser-189 and then mediates phosphorylation and activation of MAPKAPK5, which in turn phosphorylates ERK3/MAPK6. May promote entry in the cell cycle (By similarity).
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Triazolo[4,5-d]pyrimidin-5-amines were identified from kinase selectivity screening as novel ERK3 inhibitors with sub-100 nanomolar potencies in a biochemical assay using MK5 as substrate and with an attractive kinase selectivity profile. ERK3 crystal structures clarified the inhibitor binding mode in the ATP pocket with impact on A-loop, GC-loop and alphaC-helix conformations suggesting a potential structural link towards MK5 interaction via the FHIEDE motif. The inhibitors also showed sub-100 nM potencies in a cellular ERK3 NanoBRET assay and with excellent correlation to the biochemical IC50s. This novel series provides valuable tool compounds to further investigate the biological function and activation mechanism of ERK3.
-Authors: Graedler, U.
+Biochemical, cellular and structural characterization of novel and selective ERK3 inhibitors.,Gradler U, Busch M, Leuthner B, Raba M, Burgdorf L, Lehmann M, Linde N, Esdar C Bioorg Med Chem Lett. 2020 Sep 11;30(22):127551. doi: 10.1016/j.bmcl.2020.127551. PMID:32927028<ref>PMID:32927028</ref>
-Description: Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhibitors
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
-[[Category: Graedler, U]]
+<div class="pdbe-citations 6yll" style="background-color:#fffaf0;"></div>
+==See Also==
+*[[Mitogen-activated protein kinase 3D structures|Mitogen-activated protein kinase 3D structures]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Homo sapiens]]
+[[Category: Large Structures]]
+[[Category: Graedler U]]