6y6h - Revision history

OCA at 13:20, 24 January 2024

OCA — Wed, 24 Jan 2024 13:20:24 GMT

←Older revision		Revision as of 13:20, 24 January 2024
Line 3:		Line 3:
	<StructureSection load='6y6h' size='340' side='right'caption='[[6y6h]], [[Resolution\|resolution]] 1.95Å' scene=''>		<StructureSection load='6y6h' size='340' side='right'caption='[[6y6h]], [[Resolution\|resolution]] 1.95Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6y6h]] is a 1 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=6Y6H OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6Y6H FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6y6h]] 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=6Y6H OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6Y6H 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=OBW:2-~~[~~6-(1-benzothiophen-2-yl)thieno~~[~~3,2-d~~]~~pyrimidin-4-yl~~]~~sulfanylethanoic+acid'>OBW</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"~~>STK17B, DRAK2 ([http://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=OBW:2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic+acid'>OBW</scene></td></tr>
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b~~></td><~~td class~~=~~"sblockDat"><span class~~=~~'plainlinks'>[http~~:~~//en.wikipedia.org/wiki/Non~~-~~specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number~~ [~~http://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=6y6h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6y6h OCA], [https://pdbe.org/6y6h PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6y6h RCSB], [https://www.ebi.ac.uk/pdbsum/6y6h PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6y6h ProSAT]</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=6y6h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6y6h OCA], [~~http~~://pdbe.org/6y6h PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6y6h RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6y6h PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6y6h ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/ST17B_HUMAN ST17B_HUMAN]] Phosphorylates myosin light chains (By similarity). Acts as a positive regulator of apoptosis.<ref>PMID:9786912</ref>	+	[https://www.uniprot.org/uniprot/ST17B_HUMAN ST17B_HUMAN] Phosphorylates myosin light chains (By similarity). Acts as a positive regulator of apoptosis.<ref>PMID:9786912</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 27:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Non-specific serine/threonine protein kinase]]~~	+	[[Category: Arrowsmith CH]]
-	[[Category: Arrowsmith~~, C H~~]]	+	[[Category: Bountra C]]
-	[[Category: Bountra, C]]	+	[[Category: Chaikuad A]]
-	[[Category: Chaikuad, A]]	+	[[Category: Drewry D]]
-	[[Category: Drewry, D]]	+	[[Category: Edwards AM]]
-	[[Category: Edwards~~, A M~~]]	+	[[Category: Knapp S]]
-	[[Category: Knapp, S]]	+
-	~~[[Category: Structural genomic]]~~	+
-	~~[[Category: Chemical probe]]~~	+
-	~~[[Category: Drak2]]~~	+
-	~~[[Category: Kinase]]~~	+
-	~~[[Category: Kinase inhibitor]]~~	+
-	~~[[Category: Pki]]~~	+
-	~~[[Category: Sgc]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 06:02, 20 January 2021

OCA — Wed, 20 Jan 2021 06:02:21 GMT

←Older revision		Revision as of 06:02, 20 January 2021
Line 3:		Line 3:
	<StructureSection load='6y6h' size='340' side='right'caption='[[6y6h]], [[Resolution\|resolution]] 1.95Å' scene=''>		<StructureSection load='6y6h' size='340' side='right'caption='[[6y6h]], [[Resolution\|resolution]] 1.95Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6y6h]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Y6H OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6Y6H FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6y6h]] is a 1 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=6Y6H OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6Y6H FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=OBW:2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic+acid'>OBW</scene></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=OBW:2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic+acid'>OBW</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">STK17B, DRAK2 ([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/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://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'>[http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6y6h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6y6h OCA], [http://pdbe.org/6y6h PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6y6h RCSB], [http://www.ebi.ac.uk/pdbsum/6y6h PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6y6h ProSAT]</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=6y6h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6y6h OCA], [http://pdbe.org/6y6h PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6y6h RCSB], [http://www.ebi.ac.uk/pdbsum/6y6h PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6y6h ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/ST17B_HUMAN ST17B_HUMAN]] Phosphorylates myosin light chains (By similarity). Acts as a positive regulator of apoptosis.<ref>PMID:9786912</ref>		[[http://www.uniprot.org/uniprot/ST17B_HUMAN ST17B_HUMAN]] Phosphorylates myosin light chains (By similarity). Acts as a positive regulator of apoptosis.<ref>PMID:9786912</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	STK17B is a member of the death-associated protein kinase family and has been genetically linked to the development of diverse diseases. However, the role of STK17B in normal and disease pathology is poorly defined. Here, we present the discovery of thieno[3,2-d] pyrimidine SGC-STK17B-1 (11s), a high-quality chemical probe for this understudied "dark" kinase. 11s is an ATP-competitive inhibitor that showed remarkable selectivity over other kinases including the closely related STK17A. X-ray crystallography of 11s and related thieno[3,2-d]pyrimidines bound to STK17B revealed a unique P-loop conformation characterized by a salt bridge between R41 and the carboxylic acid of the inhibitor. Molecular dynamic simulations of STK17B revealed the flexibility of the P-loop and a wide range of R41 conformations available to the apo-protein. The isomeric thieno[2,3-d]pyrimidine SGC-STK17B-1N (19g) was identified as a negative control compound. The >100-fold lower activity of 19g on STK17B was attributed to the reduced basicity of its pyrimidine N1.
		+
		+	A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.,Picado A, Chaikuad A, Wells CI, Shrestha S, Zuercher WJ, Pickett JE, Kwarcinski FE, Sinha P, de Silva CS, Zutshi R, Liu S, Kannan N, Knapp S, Drewry DH, Willson TM J Med Chem. 2020 Dec 10;63(23):14626-14646. doi: 10.1021/acs.jmedchem.0c01174., Epub 2020 Nov 20. PMID:33215924<ref>PMID:33215924</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6y6h" 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: Large Structures]]		[[Category: Large Structures]]
	[[Category: Non-specific serine/threonine protein kinase]]		[[Category: Non-specific serine/threonine protein kinase]]

OCA at 07:34, 11 March 2020

OCA — Wed, 11 Mar 2020 07:34:46 GMT

←Older revision		Revision as of 07:34, 11 March 2020
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6y6h ~~is ON HOLD~~	+	==Crystal structure of STK17b (DRAK2) in complex with UNC-AP-194 probe==
-		+	<StructureSection load='6y6h' size='340' side='right'caption='[[6y6h]], [[Resolution\|resolution]] 1.95Å' scene=''>
-	~~Authors~~: ~~Chaikuad, A~~., ~~Arrowsmith~~, C.H., ~~Edwards~~, A.M., ~~Bountra, C~~., ~~Drewry, D~~., ~~Knapp, S~~., ~~Structural Genomics Consortium (SGC)~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6y6h]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Y6H OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6Y6H FirstGlance]. <br>
-	~~Description~~: ~~Crystal structure of STK17b~~ (~~DRAK2~~) ~~in complex with UNC-AP-194 probe~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=OBW:2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic+acid'>OBW</scene></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6y6h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6y6h OCA], [http://pdbe.org/6y6h PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6y6h RCSB], [http://www.ebi.ac.uk/pdbsum/6y6h PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6y6h ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/ST17B_HUMAN ST17B_HUMAN]] Phosphorylates myosin light chains (By similarity). Acts as a positive regulator of apoptosis.<ref>PMID:9786912</ref>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Non-specific serine/threonine protein kinase]]
		+	[[Category: Arrowsmith, C H]]
		+	[[Category: Bountra, C]]
	[[Category: Chaikuad, A]]		[[Category: Chaikuad, A]]
-	[[Category: ~~Arrowsmith~~, ~~C.H~~]]	+	[[Category: Drewry, D]]
		+	[[Category: Edwards, A M]]
	[[Category: Knapp, S]]		[[Category: Knapp, S]]
-	[[Category: ~~Drewry, D~~]]	+	[[Category: Structural genomic]]
-	[[Category: ~~Edwards, A.M~~]]	+	[[Category: Chemical probe]]
-	[[Category: ~~Structural Genomics Consortium (~~Sgc)]]	+	[[Category: Drak2]]
-	[[Category: ~~Bountra, C~~]]	+	[[Category: Kinase]]
		+	[[Category: Kinase inhibitor]]
		+	[[Category: Pki]]
		+	[[Category: Sgc]]
		+	[[Category: Transferase]]

OCA: Protected "6y6h" [edit=sysop:move=sysop]

OCA — Wed, 04 Mar 2020 05:46:56 GMT

Protected "6y6h" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:46, 4 March 2020

OCA: New page: '''Unreleased structure''' The entry 6y6h is ON HOLD Authors: Chaikuad, A., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Drewry, D., Knapp, S., Structural Genomics Consortium (SGC) De...

OCA — Wed, 04 Mar 2020 05:46:55 GMT

New page: '''Unreleased structure''' The entry 6y6h is ON HOLD Authors: Chaikuad, A., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Drewry, D., Knapp, S., Structural Genomics Consortium (SGC) De...

New page

'''Unreleased structure'''

The entry 6y6h is ON HOLD

Authors: Chaikuad, A., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Drewry, D., Knapp, S., Structural Genomics Consortium (SGC)

Description: Crystal structure of STK17b (DRAK2) in complex with UNC-AP-194 probe
[[Category: Unreleased Structures]]
[[Category: Chaikuad, A]]
[[Category: Arrowsmith, C.H]]
[[Category: Knapp, S]]
[[Category: Drewry, D]]
[[Category: Edwards, A.M]]
[[Category: Structural Genomics Consortium (Sgc)]]
[[Category: Bountra, C]]