6zjf - Revision history

OCA at 11:53, 1 February 2024

2024-02-01T11:53:27Z

←Older revision		Revision as of 11:53, 1 February 2024
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	<StructureSection load='6zjf' size='340' side='right'caption='[[6zjf]], [[Resolution\|resolution]] 1.75Å' scene=''>		<StructureSection load='6zjf' size='340' side='right'caption='[[6zjf]], [[Resolution\|resolution]] 1.75Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6zjf]] 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=6ZJF OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6ZJF FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6zjf]] 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=6ZJF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6ZJF 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=QM2:2-~~[~~6-(4-cyclopropylphenyl)thieno~~[~~3,2-d~~]~~pyrimidin-4-yl~~]~~sulfanylethanoic+acid'>QM2</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]] 1.75Å</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=QM2:2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic+acid'>QM2</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=6zjf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6zjf OCA], [https://pdbe.org/6zjf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6zjf RCSB], [https://www.ebi.ac.uk/pdbsum/6zjf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6zjf 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=6zjf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6zjf OCA], [~~http~~://pdbe.org/6zjf PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6zjf RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6zjf PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6zjf 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: Chaikuad A]]
-	[[Category: Chaikuad, A]]	+	[[Category: Knapp S]]
-	[[Category: Knapp, S]]	+	[[Category: Picado A]]
-	[[Category: Picado, A]]	+	[[Category: Willson T]]
-	~~[[Category: Structural genomic~~]]	+
-	[[Category: Willson, T]]	+
-	~~[[Category: Drak2]]~~	+
-	~~[[Category: Kinase inhibitor]]~~	+
-	~~[[Category: Sgc]]~~	+
-	~~[[Category: Stk17b]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 06:03, 20 January 2021

2021-01-20T06:03:02Z

←Older revision		Revision as of 06:03, 20 January 2021
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	==Crystal structure of STK17B (DRAK2) in complex with AP-229==		==Crystal structure of STK17B (DRAK2) in complex with AP-229==
-	<StructureSection load='6zjf' size='340' side='right'caption='[[6zjf]]' scene=''>	+	<StructureSection load='6zjf' size='340' side='right'caption='[[6zjf]], [[Resolution\|resolution]] 1.75Å' 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=6ZJF OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6ZJF FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6zjf]] 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=6ZJF OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6ZJF 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=6zjf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6zjf OCA], [http://pdbe.org/6zjf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6zjf RCSB], [http://www.ebi.ac.uk/pdbsum/6zjf PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6zjf 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=QM2:2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic+acid'>QM2</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='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6zjf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6zjf OCA], [http://pdbe.org/6zjf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6zjf RCSB], [http://www.ebi.ac.uk/pdbsum/6zjf PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6zjf ProSAT]</span></td></tr>
	</table>		</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>
		+	<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 6zjf" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Serine/threonine protein kinase 3D structures\|Serine/threonine protein kinase 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Chaikuad A]]	+	[[Category: Non-specific serine/threonine protein kinase]]
-	[[Category: Knapp S]]	+	[[Category: Chaikuad, A]]
-	[[Category: Picado A]]	+	[[Category: Knapp, S]]
-	[[Category: Willson T]]	+	[[Category: Picado, A]]
		+	[[Category: Structural genomic]]
		+	[[Category: Willson, T]]
		+	[[Category: Drak2]]
		+	[[Category: Kinase inhibitor]]
		+	[[Category: Sgc]]
		+	[[Category: Stk17b]]
		+	[[Category: Transferase]]

OCA at 11:13, 29 July 2020

2020-07-29T11:13:09Z

←Older revision		Revision as of 11:13, 29 July 2020
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry 6zjf is ON HOLD~~	+	==Crystal structure of STK17B (DRAK2) in complex with AP-229==
-		+	<StructureSection load='6zjf' size='340' side='right'caption='[[6zjf]]' scene=''>
-	~~Authors: Chaikuad, A., Picado, A., Willson, T., Knapp, S., Structural Genomics Consortium (SGC)~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ZJF OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6ZJF FirstGlance]. <br>
-	~~Description:~~ Crystal structure of STK17B (DRAK2) in complex with AP-229	+	</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=6zjf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6zjf OCA], [http://pdbe.org/6zjf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6zjf RCSB], [http://www.ebi.ac.uk/pdbsum/6zjf PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6zjf ProSAT]</span></td></tr>
-	[[~~Category~~: ~~Unreleased Structures~~]]	+	</table>
-	[[~~Category~~: ~~Chaikuad~~, A]]	+	__TOC__
-	[[Category: ~~Picado, A~~]]	+	</StructureSection>
-	[[Category: ~~Willson, T~~]]	+	[[Category: Large Structures]]
-	[[Category: Knapp, S]]	+	[[Category: Chaikuad A]]
-	[[Category: ~~Structural Genomics Consortium (Sgc)~~]]	+	[[Category: Knapp S]]
		+	[[Category: Picado A]]
		+	[[Category: Willson T]]

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

2020-07-08T11:13:36Z

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

←Older revision

Revision as of 11:13, 8 July 2020

OCA: New page: '''Unreleased structure''' The entry 6zjf is ON HOLD Authors: Chaikuad, A., Picado, A., Willson, T., Knapp, S., Structural Genomics Consortium (SGC) Description: Crystal structure of S...

2020-07-08T11:13:35Z

New page: '''Unreleased structure''' The entry 6zjf is ON HOLD Authors: Chaikuad, A., Picado, A., Willson, T., Knapp, S., Structural Genomics Consortium (SGC) Description: Crystal structure of S...

New page

'''Unreleased structure'''

The entry 6zjf is ON HOLD

Authors: Chaikuad, A., Picado, A., Willson, T., Knapp, S., Structural Genomics Consortium (SGC)

Description: Crystal structure of STK17B (DRAK2) in complex with AP-229
[[Category: Unreleased Structures]]
[[Category: Chaikuad, A]]
[[Category: Picado, A]]
[[Category: Willson, T]]
[[Category: Knapp, S]]
[[Category: Structural Genomics Consortium (Sgc)]]