6hdo - Revision history

OCA at 08:41, 10 October 2018

OCA — Wed, 10 Oct 2018 08:41:19 GMT

←Older revision		Revision as of 08:41, 10 October 2018
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	<StructureSection load='6hdo' size='340' side='right' caption='[[6hdo]], [[Resolution\|resolution]] 2.61Å' scene=''>		<StructureSection load='6hdo' size='340' side='right' caption='[[6hdo]], [[Resolution\|resolution]] 2.61Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6hdo]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6HDO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6HDO FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6hdo]] 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=6HDO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6HDO 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=FZH:8-[[(1~{S},2~{R},3~{R},5~{R})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-quinolin-2-one'>FZH</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>		</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=FZH:8-[[(1~{S},2~{R},3~{R},5~{R})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-quinolin-2-one'>FZH</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ATAD2, L16, PRO2000 ([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/Adenosinetriphosphatase Adenosinetriphosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.3 3.6.1.3] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Adenosinetriphosphatase Adenosinetriphosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.3 3.6.1.3] </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=6hdo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hdo OCA], [http://pdbe.org/6hdo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6hdo RCSB], [http://www.ebi.ac.uk/pdbsum/6hdo PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6hdo ProSAT]</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=6hdo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hdo OCA], [http://pdbe.org/6hdo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6hdo RCSB], [http://www.ebi.ac.uk/pdbsum/6hdo PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6hdo ProSAT]</span></td></tr>
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	</StructureSection>		</StructureSection>
	[[Category: Adenosinetriphosphatase]]		[[Category: Adenosinetriphosphatase]]
		+	[[Category: Human]]
	[[Category: Chung, C]]		[[Category: Chung, C]]
	[[Category: Atad2]]		[[Category: Atad2]]

OCA at 08:17, 26 September 2018

OCA — Wed, 26 Sep 2018 08:17:39 GMT

←Older revision		Revision as of 08:17, 26 September 2018
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-	'''Unreleased structure'''

-	~~The entry~~ 6hdo is ~~ON HOLD~~	+	==Crystal structure of human ATAD2 bromodomain in complex with 8-(((1R,2R,3R,5S)-2-(2-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)quinolin-2(1H)-one==
		+	<StructureSection load='6hdo' size='340' side='right' caption='[[6hdo]], [[Resolution\|resolution]] 2.61Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6hdo]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6HDO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6HDO 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=FZH:8-[[(1~{S},2~{R},3~{R},5~{R})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-quinolin-2-one'>FZH</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Adenosinetriphosphatase Adenosinetriphosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.3 3.6.1.3] </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=6hdo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hdo OCA], [http://pdbe.org/6hdo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6hdo RCSB], [http://www.ebi.ac.uk/pdbsum/6hdo PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6hdo ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/ATAD2_HUMAN ATAD2_HUMAN]] May be a transcriptional coactivator of the nuclear receptor ESR1 required to induce the expression of a subset of estradiol target genes, such as CCND1, MYC and E2F1. May play a role in the recruitment or occupancy of CREBBP at some ESR1 target gene promoters. May be required for histone hyperacetylation. Involved in the estrogen-induced cell proliferation and cell cycle progression of breast cancer cells.<ref>PMID:17998543</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	ATAD2 is a cancer-associated protein whose bromodomain has been described as among the least druggable of its class. In our recent disclosure of the first chemical probe against this bromodomain, GSK8814 (6), we described the use of a conformationally constrained methoxy piperidine to gain selectivity over the BET bromodomains. Here we describe an orthogonal conformational restriction strategy of the piperidine ring to give potent and selective tropane inhibitors and show structural insights into why this was more challenging than expected. Greater understanding of why different rational approaches succeeded or failed should help in the future design of selectivity in the bromodomain family.

-	~~Authors~~: Chung, C.	+	Aiming to Miss a Moving Target: Bromo and Extra Terminal Domain (BET) Selectivity in Constrained ATAD2 Inhibitors.,Bamborough P, Chung CW, Furze RC, Grandi P, Michon AM, Watson RJ, Mitchell DJ, Barnett H, Prinjha RK, Rau C, Sheppard RJ, Werner T, Demont EH J Med Chem. 2018 Sep 18. doi: 10.1021/acs.jmedchem.8b00862. PMID:30226378<ref>PMID:30226378</ref>

-	~~Description: Crystal structure~~ of ~~human ATAD2 bromodomain in complex with 8-(((1R,2R,3R,5S)-2-(2-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)ethyl)-8-azabicyclo[3~~.2.~~1]octan~~-3-~~yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)quinolin-2(1H)-one~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 6hdo" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Adenosinetriphosphatase]]
	[[Category: Chung, C]]		[[Category: Chung, C]]
		+	[[Category: Atad2]]
		+	[[Category: Atpase family aaa domain-containing protein 2]]
		+	[[Category: Bromodomain]]
		+	[[Category: Epigenetic]]
		+	[[Category: Inhibitor]]
		+	[[Category: Transcription]]

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

OCA — Wed, 29 Aug 2018 05:51:54 GMT

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

←Older revision

Revision as of 05:51, 29 August 2018

OCA: New page: '''Unreleased structure''' The entry 6hdo is ON HOLD Authors: Chung, C. Description: Crystal structure of human ATAD2 bromodomain in complex with 8-(((1R,2R,3R,5S)-2-(2-(1,1-dioxidotet...

OCA — Wed, 29 Aug 2018 05:51:53 GMT

New page: '''Unreleased structure''' The entry 6hdo is ON HOLD Authors: Chung, C. Description: Crystal structure of human ATAD2 bromodomain in complex with 8-(((1R,2R,3R,5S)-2-(2-(1,1-dioxidotet...

New page

'''Unreleased structure'''

The entry 6hdo is ON HOLD

Authors: Chung, C.

Description: Crystal structure of human ATAD2 bromodomain in complex with 8-(((1R,2R,3R,5S)-2-(2-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)quinolin-2(1H)-one
[[Category: Unreleased Structures]]
[[Category: Chung, C]]