6ylc - Revision history

OCA at 13:29, 24 January 2024

OCA — Wed, 24 Jan 2024 13:29:47 GMT

←Older revision		Revision as of 13:29, 24 January 2024
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	<StructureSection load='6ylc' size='340' side='right'caption='[[6ylc]], [[Resolution\|resolution]] 2.43Å' scene=''>		<StructureSection load='6ylc' size='340' side='right'caption='[[6ylc]], [[Resolution\|resolution]] 2.43Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6ylc]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6YLC OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6YLC FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6ylc]] is a 4 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=6YLC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6YLC FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=OXW:5-fluoranyl-2~~-[5-[~~[1-(1-methylpiperidin-4-yl)pyrazol-4-yl~~]~~amino~~]~~-[1,~~2~~,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile'>OXW</scene>~~</td></tr>	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 2.43Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"~~>[[6yky\|6yky]]</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=OXW:5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile'>OXW</scene></td></tr>
-	~~<tr~~ id~~='gene'><td class~~="~~sblockLbl~~"><b>[[~~Gene\|Gene:~~]]~~</b></td><td class="sblockDat">MAPK6~~, ~~ERK3~~, ~~PRKM6 (~~[~~http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=~~5~~&id=9606 HUMAN~~]~~)</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=6ylc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ylc OCA], [https://pdbe.org/6ylc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6ylc RCSB], [https://www.ebi.ac.uk/pdbsum/6ylc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6ylc ProSAT]</span></td></tr>
-	~~<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Mitogen~~-~~activated_protein_kinase Mitogen~~-~~activated protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.24 2.7.11.24~~] </~~span~~></td></tr>	+
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=6ylc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ylc OCA], [~~http~~://pdbe.org/6ylc PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6ylc RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6ylc PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6ylc ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://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).	+	[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;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 6ylc" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6ylc" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Mitogen-activated protein kinase 3D structures\|Mitogen-activated protein kinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Mitogen-activated protein kinase]]~~	+	[[Category: Graedler U]]
-	[[Category: Graedler, U]]	+
-	~~[[Category: Erk3]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 07:50, 30 September 2020

OCA — Wed, 30 Sep 2020 07:50:29 GMT

←Older revision		Revision as of 07:50, 30 September 2020
Line 1:		Line 1:

	==Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhibitors==		==Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhibitors==
-	<StructureSection load='6ylc' size='340' side='right'caption='[[6ylc]]' scene=''>	+	<StructureSection load='6ylc' size='340' side='right'caption='[[6ylc]], [[Resolution\|resolution]] 2.43Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6YLC OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6YLC FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6ylc]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6YLC OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6YLC FirstGlance]. <br>
-	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6ylc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ylc OCA], [http://pdbe.org/6ylc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ylc RCSB], [http://www.ebi.ac.uk/pdbsum/6ylc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ylc ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=OXW:5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile'>OXW</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6yky\|6yky]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">MAPK6, ERK3, PRKM6 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Mitogen-activated_protein_kinase Mitogen-activated protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.24 2.7.11.24] </span></td></tr>
		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6ylc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ylc OCA], [http://pdbe.org/6ylc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ylc RCSB], [http://www.ebi.ac.uk/pdbsum/6ylc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ylc ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://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.
		+
		+	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>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6ylc" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Graedler U]]	+	[[Category: Mitogen-activated protein kinase]]
		+	[[Category: Graedler, U]]
		+	[[Category: Erk3]]
		+	[[Category: Inhibitor]]
		+	[[Category: Transferase]]

OCA at 11:14, 23 September 2020

OCA — Wed, 23 Sep 2020 11:14:04 GMT

←Older revision		Revision as of 11:14, 23 September 2020
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry 6ylc is ON HOLD until Paper Publication~~	+	==Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhibitors==
-		+	<StructureSection load='6ylc' size='340' side='right'caption='[[6ylc]]' scene=''>
-	~~Authors: Graedler, U.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6YLC OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6YLC FirstGlance]. <br>
-	~~Description:~~ Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhibitors	+	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6ylc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ylc OCA], [http://pdbe.org/6ylc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ylc RCSB], [http://www.ebi.ac.uk/pdbsum/6ylc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ylc ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: Graedler, U]]	+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Graedler U]]

OCA: Protected "6ylc" [edit=sysop:move=sysop]

OCA — Wed, 15 Apr 2020 05:35:23 GMT

Protected "6ylc" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:35, 15 April 2020

OCA: New page: '''Unreleased structure''' The entry 6ylc is ON HOLD until Paper Publication Authors: Graedler, U. Description: Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhi...

OCA — Wed, 15 Apr 2020 05:35:22 GMT

New page: '''Unreleased structure''' The entry 6ylc is ON HOLD until Paper Publication Authors: Graedler, U. Description: Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhi...

New page

'''Unreleased structure'''

The entry 6ylc is ON HOLD until Paper Publication

Authors: Graedler, U.

Description: Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhibitors
[[Category: Unreleased Structures]]
[[Category: Graedler, U]]