5yql - Revision history

OCA at 08:35, 22 November 2023

OCA — Wed, 22 Nov 2023 08:35:27 GMT

←Older revision		Revision as of 08:35, 22 November 2023
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	<StructureSection load='5yql' size='340' side='right'caption='[[5yql]], [[Resolution\|resolution]] 1.60Å' scene=''>		<StructureSection load='5yql' size='340' side='right'caption='[[5yql]], [[Resolution\|resolution]] 1.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5yql]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5YQL OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5YQL FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5yql]] 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=5YQL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5YQL FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=A2I:2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide'>A2I</scene>, <scene name='pdbligand=BME:BETA-MERCAPTOETHANOL'>BME</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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]] 1.601Å</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=5yql FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5yql OCA], [~~http~~://pdbe.org/5yql PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5yql RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5yql PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5yql ProSAT]</span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=A2I:2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide'>A2I</scene>, <scene name='pdbligand=BME:BETA-MERCAPTOETHANOL'>BME</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=5yql FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5yql OCA], [https://pdbe.org/5yql PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5yql RCSB], [https://www.ebi.ac.uk/pdbsum/5yql PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5yql ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/SIR2_HUMAN SIR2_HUMAN]] NAD-dependent protein deacetylase, which deacetylates internal lysines on histone and non-histone proteins. Deacetylates 'Lys-40' of alpha-tubulin. Involved in the control of mitotic exit in the cell cycle, probably via its role in the regulation of cytoskeleton. Deacetylates PCK1, opposing proteasomal degradation. Deacetylates 'Lys-310' of RELA.<ref>PMID:12620231</ref> <ref>PMID:12697818</ref> <ref>PMID:21081649</ref> <ref>PMID:21726808</ref>	+	[https://www.uniprot.org/uniprot/SIR2_HUMAN SIR2_HUMAN] NAD-dependent protein deacetylase, which deacetylates internal lysines on histone and non-histone proteins. Deacetylates 'Lys-40' of alpha-tubulin. Involved in the control of mitotic exit in the cell cycle, probably via its role in the regulation of cytoskeleton. Deacetylates PCK1, opposing proteasomal degradation. Deacetylates 'Lys-310' of RELA.<ref>PMID:12620231</ref> <ref>PMID:12697818</ref> <ref>PMID:21081649</ref> <ref>PMID:21726808</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Chen, Q]]	+	[[Category: Chen Q]]
-	[[Category: Li, G]]	+	[[Category: Li G]]
-	[[Category: Wang, H]]	+	[[Category: Wang H]]
-	[[Category: Yu, Y]]	+	[[Category: Yu Y]]
-	~~[[Category: Complex]]~~	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Nad-dependent deacetylase sirtuin-2~~]]	+

OCA at 09:25, 21 October 2020

OCA — Wed, 21 Oct 2020 09:25:27 GMT

←Older revision		Revision as of 09:25, 21 October 2020
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	==Crystal structure of Sirt2 in complex with selective inhibitor A2I==		==Crystal structure of Sirt2 in complex with selective inhibitor A2I==
-	<StructureSection load='5yql' size='340' side='right' caption='[[5yql]], [[Resolution\|resolution]] 1.60Å' scene=''>	+	<StructureSection load='5yql' size='340' side='right'caption='[[5yql]], [[Resolution\|resolution]] 1.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5yql]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5YQL OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5YQL FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5yql]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5YQL OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5YQL FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=A2I:2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide'>A2I</scene>, <scene name='pdbligand=BME:BETA-MERCAPTOETHANOL'>BME</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=A2I:2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide'>A2I</scene>, <scene name='pdbligand=BME:BETA-MERCAPTOETHANOL'>BME</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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=5yql FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5yql OCA], [http://pdbe.org/5yql PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5yql RCSB], [http://www.ebi.ac.uk/pdbsum/5yql PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5yql 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=5yql FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5yql OCA], [http://pdbe.org/5yql PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5yql RCSB], [http://www.ebi.ac.uk/pdbsum/5yql PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5yql ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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	</div>		</div>
	<div class="pdbe-citations 5yql" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5yql" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Histone deacetylase 3D structures\|Histone deacetylase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Chen, Q]]		[[Category: Chen, Q]]
	[[Category: Li, G]]		[[Category: Li, G]]

OCA at 07:50, 17 October 2018

OCA — Wed, 17 Oct 2018 07:50:25 GMT

←Older revision		Revision as of 07:50, 17 October 2018
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5yql is ~~ON HOLD~~ ~~until Paper~~ Publication	+	==Crystal structure of Sirt2 in complex with selective inhibitor A2I==
		+	<StructureSection load='5yql' size='340' side='right' caption='[[5yql]], [[Resolution\|resolution]] 1.60Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5yql]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5YQL OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5YQL FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=A2I:2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide'>A2I</scene>, <scene name='pdbligand=BME:BETA-MERCAPTOETHANOL'>BME</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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=5yql FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5yql OCA], [http://pdbe.org/5yql PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5yql RCSB], [http://www.ebi.ac.uk/pdbsum/5yql PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5yql ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/SIR2_HUMAN SIR2_HUMAN]] NAD-dependent protein deacetylase, which deacetylates internal lysines on histone and non-histone proteins. Deacetylates 'Lys-40' of alpha-tubulin. Involved in the control of mitotic exit in the cell cycle, probably via its role in the regulation of cytoskeleton. Deacetylates PCK1, opposing proteasomal degradation. Deacetylates 'Lys-310' of RELA.<ref>PMID:12620231</ref> <ref>PMID:12697818</ref> <ref>PMID:21081649</ref> <ref>PMID:21726808</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Human sirtuin 2 (SIRT2) is a nicotinamide adenine dinucleotide (NAD(+))-dependent deacylase, and is implicated in human diseases including cancer. Selective small-molecule inhibitors for SIRT2 are sought as chemical tools and potential therapeutics. Here we report the X-ray crystal structure guided structure-activity relationship studies of new N-(3-(phenoxymethyl)phenyl)acetamide derivatives with SIRT2, which led to the identification of potent, selective SIRT2 inhibitors. Crystallographic analyses reveal that the new inhibitors act via inducing the formation of an enlarged hydrophobic pocket and particularly mimicking the interactions made by myristoylated-lysine substrates. The most potent inhibitor 24a could dose-dependently elevate the acetylation level of alpha-tubulin in the non-small cell lung cancer H441cells, which have a high expression level of SIRT2 as determinated by Western blotting analyses. Further cellular assays reveal that 24a restrains cell growth mainly through inhibiting cellular proliferation rather than inducing apoptosis. Moreover, 24a could suppress the migration and invasion of H441cells. These results provide an excellent basis for further development of new potent, selective, and cell active SIRT2 inhibitors as chemical tools and potential therapeutics for SIRT2-driven non-small cell lung cancers.

-	~~Authors~~:	+	X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.,Yang LL, Wang HL, Zhong L, Yuan C, Liu SY, Yu ZJ, Liu S, Yan YH, Wu C, Wang Y, Wang Z, Yu Y, Chen Q, Li GB Eur J Med Chem. 2018 Jul 15;155:806-823. doi: 10.1016/j.ejmech.2018.06.041. Epub , 2018 Jun 19. PMID:29957526<ref>PMID:29957526</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 5yql" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Chen, Q]]
		+	[[Category: Li, G]]
		+	[[Category: Wang, H]]
		+	[[Category: Yu, Y]]
		+	[[Category: Complex]]
		+	[[Category: Hydrolase-hydrolase inhibitor complex]]
		+	[[Category: Inhibitor]]
		+	[[Category: Nad-dependent deacetylase sirtuin-2]]

OCA at 06:25, 22 November 2017

OCA — Wed, 22 Nov 2017 06:25:27 GMT

←Older revision		Revision as of 06:25, 22 November 2017
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5yql is ON HOLD	+	The entry 5yql is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "5yql" [edit=sysop:move=sysop]

OCA — Wed, 15 Nov 2017 06:16:19 GMT

Protected "5yql" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:16, 15 November 2017

OCA: New page: '''Unreleased structure''' The entry 5yql is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 15 Nov 2017 06:16:18 GMT

New page: '''Unreleased structure''' The entry 5yql is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 5yql is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]