7p1l - Revision history

OCA at 12:59, 1 February 2024

OCA — Thu, 01 Feb 2024 12:59:53 GMT

←Older revision		Revision as of 12:59, 1 February 2024
Line 3:		Line 3:
	<StructureSection load='7p1l' size='340' side='right'caption='[[7p1l]], [[Resolution\|resolution]] 1.95Å' scene=''>		<StructureSection load='7p1l' size='340' side='right'caption='[[7p1l]], [[Resolution\|resolution]] 1.95Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[7p1l]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Human Human~~]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=7o94 7o94]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7P1L OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7P1L FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7p1l]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=7o94 7o94]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7P1L OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7P1L FirstGlance]. <br>
-	</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=V5E:5-Bromo-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine'>V5E</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]] 1.95Å</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">MARK3, CTAK1, EMK2 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=V5E:5-Bromo-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine'>V5E</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span></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=7p1l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7p1l OCA], [https://pdbe.org/7p1l PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7p1l RCSB], [https://www.ebi.ac.uk/pdbsum/7p1l PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7p1l ProSAT]</span></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=7p1l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7p1l OCA], [https://pdbe.org/7p1l PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7p1l RCSB], [https://www.ebi.ac.uk/pdbsum/7p1l PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7p1l ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/MARK3_HUMAN MARK3_HUMAN]] Involved in the specific phosphorylation of microtubule-associated proteins for tau, MAP2 and MAP4. Phosphorylates CDC25C on 'Ser-216'. Regulates localization and activity of some histone deacetylases by mediating phosphorylation of HDAC7, promoting subsequent interaction between HDAC7 and 14-3-3 and export from the nucleus.<ref>PMID:16980613</ref>	+	[https://www.uniprot.org/uniprot/MARK3_HUMAN MARK3_HUMAN] Involved in the specific phosphorylation of microtubule-associated proteins for tau, MAP2 and MAP4. Phosphorylates CDC25C on 'Ser-216'. Regulates localization and activity of some histone deacetylases by mediating phosphorylation of HDAC7, promoting subsequent interaction between HDAC7 and 14-3-3 and export from the nucleus.<ref>PMID:16980613</ref>
	<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 7p1l" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 7p1l" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Serine/threonine protein kinase 3D structures\|Serine/threonine protein kinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Non-specific serine/threonine protein kinase]]~~	+	[[Category: Axtman A]]
-	[[Category: Axtman, A]]	+	[[Category: Chatterjee D]]
-	[[Category: Chatterjee, D]]	+	[[Category: Dederer V]]
-	[[Category: Dederer, V]]	+	[[Category: Knapp S]]
-	[[Category: Knapp, S]]	+	[[Category: Mathea S]]
-	[[Category: Mathea, S]]	+	[[Category: Preuss F]]
-	[[Category: Preuss, F]]	+	[[Category: Vlassova A]]
-	[[Category: Vlassova, A]]	+
-	~~[[Category: Kinase inhibitor active site folded activation loop uba domain]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 06:13, 10 November 2021

OCA — Wed, 10 Nov 2021 06:13:05 GMT

←Older revision		Revision as of 06:13, 10 November 2021
Line 1:		Line 1:

	==The MARK3 Kinase Domain Bound To AA-CS-1-008==		==The MARK3 Kinase Domain Bound To AA-CS-1-008==
-	<StructureSection load='7p1l' size='340' side='right'caption='[[7p1l]]' scene=''>	+	<StructureSection load='7p1l' size='340' side='right'caption='[[7p1l]], [[Resolution\|resolution]] 1.95Å' 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=7P1L OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7P1L FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7p1l]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=7o94 7o94]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7P1L OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7P1L FirstGlance]. <br>
-	</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=7p1l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7p1l OCA], [https://pdbe.org/7p1l PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7p1l RCSB], [https://www.ebi.ac.uk/pdbsum/7p1l PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7p1l 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=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=V5E:5-Bromo-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine'>V5E</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">MARK3, CTAK1, EMK2 ([https://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'>[https://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span></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=7p1l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7p1l OCA], [https://pdbe.org/7p1l PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7p1l RCSB], [https://www.ebi.ac.uk/pdbsum/7p1l PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7p1l ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[https://www.uniprot.org/uniprot/MARK3_HUMAN MARK3_HUMAN]] Involved in the specific phosphorylation of microtubule-associated proteins for tau, MAP2 and MAP4. Phosphorylates CDC25C on 'Ser-216'. Regulates localization and activity of some histone deacetylases by mediating phosphorylation of HDAC7, promoting subsequent interaction between HDAC7 and 14-3-3 and export from the nucleus.<ref>PMID:16980613</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The pyrimidine core has been utilized extensively to construct kinase inhibitors, including eight FDA-approved drugs. Because the pyrimidine hinge-binding motif is accommodated by many human kinases, kinome-wide selectivity of resultant molecules can be poor. This liability was seen as an advantage since it is well tolerated by many understudied kinases. We hypothesized that nonexemplified aminopyrimidines bearing side chains from well-annotated pyrimidine-based inhibitors with off-target activity on understudied kinases would provide us with useful inhibitors of these lesser studied kinases. Our strategy paired mixing and matching the side chains from the 2- and 4-positions of the parent compounds with modifications at the 5-position of the pyrimidine core, which is situated near the gatekeeper residue of the binding pocket. Utilizing this approach, we imparted improved kinome-wide selectivity to most members of the resultant library. Importantly, we also identified potent biochemical and cell-active lead compounds for understudied kinases like DRAK1, BMP2K, and MARK3/4.
		+
		+	Identification of Pyrimidine-Based Lead Compounds for Understudied Kinases Implicated in Driving Neurodegeneration.,Drewry DH, Annor-Gyamfi JK, Wells CI, Pickett JE, Dederer V, Preuss F, Mathea S, Axtman AD J Med Chem. 2021 Aug 1. doi: 10.1021/acs.jmedchem.1c00440. PMID:34333981<ref>PMID:34333981</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7p1l" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Axtman A]]	+	[[Category: Non-specific serine/threonine protein kinase]]
-	[[Category: Chatterjee D]]	+	[[Category: Axtman, A]]
-	[[Category: Dederer V]]	+	[[Category: Chatterjee, D]]
-	[[Category: Knapp S]]	+	[[Category: Dederer, V]]
-	[[Category: Mathea S]]	+	[[Category: Knapp, S]]
-	[[Category: Preuss F]]	+	[[Category: Mathea, S]]
-	[[Category: Vlassova A]]	+	[[Category: Preuss, F]]
		+	[[Category: Vlassova, A]]
		+	[[Category: Kinase inhibitor active site folded activation loop uba domain]]
		+	[[Category: Transferase]]

OCA at 09:56, 14 July 2021

OCA — Wed, 14 Jul 2021 09:56:06 GMT

←Older revision		Revision as of 09:56, 14 July 2021
Line 1:		Line 1:
-	'''Unreleased structure'''

-	The ~~entry~~ 7p1l ~~is ON HOLD~~	+	==The MARK3 Kinase Domain Bound To AA-CS-1-008==
-		+	<StructureSection load='7p1l' size='340' side='right'caption='[[7p1l]]' scene=''>
-	~~Authors~~: ~~Dederer, V~~.~~, Preuss, F~~., ~~Chatterjee, D~~., ~~Vlassova, A~~., ~~Mathea, S~~., ~~Axtman, A~~., ~~Knapp, S~~.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7P1L OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7P1L FirstGlance]. <br>
-	~~Description: The MARK3 Kinase Domain Bound To AA-CS-1-008~~	+	</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=7p1l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7p1l OCA], [https://pdbe.org/7p1l PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7p1l RCSB], [https://www.ebi.ac.uk/pdbsum/7p1l PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7p1l ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: ~~Chatterjee, D~~]]	+	__TOC__
-	[[Category: ~~Axtman, A~~]]	+	</StructureSection>
-	[[Category: ~~Knapp, S~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Preuss, F~~]]	+	[[Category: Axtman A]]
-	[[Category: Mathea, S]]	+	[[Category: Chatterjee D]]
-	[[Category: ~~Vlassova, A~~]]	+	[[Category: Dederer V]]
-	[[Category: ~~Dederer, V~~]]	+	[[Category: Knapp S]]
		+	[[Category: Mathea S]]
		+	[[Category: Preuss F]]
		+	[[Category: Vlassova A]]

OCA: Protected "7p1l" [edit=sysop:move=sysop]

OCA — Wed, 07 Jul 2021 08:56:14 GMT

Protected "7p1l" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:56, 7 July 2021

OCA: New page: '''Unreleased structure''' The entry 7p1l is ON HOLD Authors: Dederer, V., Preuss, F., Chatterjee, D., Vlassova, A., Mathea, S., Axtman, A., Knapp, S. Description: The MARK3 Kinase Dom...

OCA — Wed, 07 Jul 2021 08:56:13 GMT

New page: '''Unreleased structure''' The entry 7p1l is ON HOLD Authors: Dederer, V., Preuss, F., Chatterjee, D., Vlassova, A., Mathea, S., Axtman, A., Knapp, S. Description: The MARK3 Kinase Dom...

New page

'''Unreleased structure'''

The entry 7p1l is ON HOLD

Authors: Dederer, V., Preuss, F., Chatterjee, D., Vlassova, A., Mathea, S., Axtman, A., Knapp, S.

Description: The MARK3 Kinase Domain Bound To AA-CS-1-008
[[Category: Unreleased Structures]]
[[Category: Chatterjee, D]]
[[Category: Axtman, A]]
[[Category: Knapp, S]]
[[Category: Preuss, F]]
[[Category: Mathea, S]]
[[Category: Vlassova, A]]
[[Category: Dederer, V]]