5a82 - Revision history

OCA at 11:38, 9 May 2024

OCA — Thu, 09 May 2024 11:38:24 GMT

←Older revision		Revision as of 11:38, 9 May 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5a82]] 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=5A82 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5A82 FirstGlance]. <br>		<table><tr><td colspan='2'>[[5a82]] 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=5A82 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5A82 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=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=YEJ:8-[[(3R,4R)-3-[[1,1-BIS(OXIDANYLIDENE)THIAN-4-YL]METHOXY]PIPERIDIN-4-YL]AMINO]-3-METHYL-1H-1,7-NAPHTHYRIDIN-2-ONE'>YEJ</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]] 1.86Å</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=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=YEJ:8-[[(3R,4R)-3-[[1,1-BIS(OXIDANYLIDENE)THIAN-4-YL]METHOXY]PIPERIDIN-4-YL]AMINO]-3-METHYL-1H-1,7-NAPHTHYRIDIN-2-ONE'>YEJ</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=5a82 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5a82 OCA], [https://pdbe.org/5a82 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5a82 RCSB], [https://www.ebi.ac.uk/pdbsum/5a82 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5a82 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=5a82 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5a82 OCA], [https://pdbe.org/5a82 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5a82 RCSB], [https://www.ebi.ac.uk/pdbsum/5a82 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5a82 ProSAT]</span></td></tr>
	</table>		</table>

OCA at 04:44, 25 May 2023

OCA — Thu, 25 May 2023 04:44:37 GMT

←Older revision		Revision as of 04:44, 25 May 2023
Line 3:		Line 3:
	<StructureSection load='5a82' size='340' side='right'caption='[[5a82]], [[Resolution\|resolution]] 1.86Å' scene=''>		<StructureSection load='5a82' size='340' side='right'caption='[[5a82]], [[Resolution\|resolution]] 1.86Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5a82]] 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=5A82 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5A82 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5a82]] 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=5A82 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5A82 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=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=YEJ:8-[[(3R,4R)-3-[[1,1-BIS(OXIDANYLIDENE)THIAN-4-YL]METHOXY]PIPERIDIN-4-YL]AMINO]-3-METHYL-1H-1,7-NAPHTHYRIDIN-2-ONE'>YEJ</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=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=YEJ:8-[[(3R,4R)-3-[[1,1-BIS(OXIDANYLIDENE)THIAN-4-YL]METHOXY]PIPERIDIN-4-YL]AMINO]-3-METHYL-1H-1,7-NAPHTHYRIDIN-2-ONE'>YEJ</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5a81\|5a81]], [[5a83\|5a83]], [[5a85\|5a85]]</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=5a82 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5a82 OCA], [https://pdbe.org/5a82 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5a82 RCSB], [https://www.ebi.ac.uk/pdbsum/5a82 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5a82 ProSAT]</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=5a82 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5a82 OCA], [~~http~~://pdbe.org/5a82 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5a82 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5a82 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5a82 ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== 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>	+	[https://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;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 27:		Line 25:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Adenosinetriphosphatase]]~~	+	[[Category: Homo sapiens]]
-	~~[[Category: Human~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bamborough, P]]	+	[[Category: Bamborough P]]
-	[[Category: Chung, C]]	+	[[Category: Chung C]]
-	[[Category: Demont, E]]	+	[[Category: Demont E]]
-	~~[[Category: Atad2]]~~	+
-	~~[[Category: Atpase family aaa domain-containing protein 2]]~~	+
-	~~[[Category: Bromodomain]]~~	+
-	~~[[Category: Epigenetic]]~~	+
-	~~[[Category: Inhibitor~~]]	+

OCA at 08:31, 26 June 2019

OCA — Wed, 26 Jun 2019 08:31:53 GMT

←Older revision		Revision as of 08:31, 26 June 2019
Line 1:		Line 1:
		+
	==Crystal structure of human ATAD2 bromodomain in complex with 4-(3R,4R) -4-(3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)aminopiperidin-3- yloxymethyl)-1-thiane-1,1-dione==		==Crystal structure of human ATAD2 bromodomain in complex with 4-(3R,4R) -4-(3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)aminopiperidin-3- yloxymethyl)-1-thiane-1,1-dione==
-	<StructureSection load='5a82' size='340' side='right' caption='[[5a82]], [[Resolution\|resolution]] 1.86Å' scene=''>	+	<StructureSection load='5a82' size='340' side='right'caption='[[5a82]], [[Resolution\|resolution]] 1.86Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5a82]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5A82 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5A82 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5a82]] 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=5A82 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5A82 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=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=YEJ:8-[[(3R,4R)-3-[[1,1-BIS(OXIDANYLIDENE)THIAN-4-YL]METHOXY]PIPERIDIN-4-YL]AMINO]-3-METHYL-1H-1,7-NAPHTHYRIDIN-2-ONE'>YEJ</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=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=YEJ:8-[[(3R,4R)-3-[[1,1-BIS(OXIDANYLIDENE)THIAN-4-YL]METHOXY]PIPERIDIN-4-YL]AMINO]-3-METHYL-1H-1,7-NAPHTHYRIDIN-2-ONE'>YEJ</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5a81\|5a81]], [[5a83\|5a83]], [[5a85\|5a85]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5a81\|5a81]], [[5a83\|5a83]], [[5a85\|5a85]]</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=5a82 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5a82 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=5a82 RCSB], [http://www.ebi.ac.uk/pdbsum/5a82 PDBsum]</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=5a82 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5a82 OCA], [http://pdbe.org/5a82 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5a82 RCSB], [http://www.ebi.ac.uk/pdbsum/5a82 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5a82 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 5a82" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[ATPase family AAA domain-containing protein\|ATPase family AAA domain-containing protein]]
	== References ==		== References ==
	<references/>		<references/>
Line 23:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: Adenosinetriphosphatase]]		[[Category: Adenosinetriphosphatase]]
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Bamborough, P]]		[[Category: Bamborough, P]]
	[[Category: Chung, C]]		[[Category: Chung, C]]

OCA at 14:37, 12 August 2015

OCA — Wed, 12 Aug 2015 14:37:49 GMT

←Older revision		Revision as of 14:37, 12 August 2015
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal structure of human ATAD2 bromodomain in complex with 4-(3R,4R) -4-(3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)aminopiperidin-3- yloxymethyl)-1-thiane-1,1-dione==
		+	<StructureSection load='5a82' size='340' side='right' caption='[[5a82]], [[Resolution\|resolution]] 1.86Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5a82]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5A82 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5A82 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=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=YEJ:8-[[(3R,4R)-3-[[1,1-BIS(OXIDANYLIDENE)THIAN-4-YL]METHOXY]PIPERIDIN-4-YL]AMINO]-3-METHYL-1H-1,7-NAPHTHYRIDIN-2-ONE'>YEJ</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5a81\|5a81]], [[5a83\|5a83]], [[5a85\|5a85]]</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=5a82 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5a82 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=5a82 RCSB], [http://www.ebi.ac.uk/pdbsum/5a82 PDBsum]</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 bromodomain-containing protein whose overexpression is linked to poor outcomes in a number of different cancer types. To date, no potent and selective inhibitors of the bromodomain have been reported. This article describes the structure-based optimization of a series of naphthyridones from micromolar leads with no selectivity over the BET bromodomains to inhibitors with sub-100 nM ATAD2 potency and 100-fold BET selectivity.

-	~~The entry 5a82 is ON HOLD~~	+	Structure-Based Optimization of Naphthyridones into Potent ATAD2 Bromodomain Inhibitors.,Bamborough P, Chung CW, Furze RC, Grandi P, Michon AM, Sheppard RJ, Barnett H, Diallo H, Dixon DP, Douault C, Jones EJ, Karamshi B, Mitchell DJ, Prinjha RK, Rau C, Watson RJ, Werner T, Demont EH J Med Chem. 2015 Jul 31. PMID:26230603<ref>PMID:26230603</ref>

-	~~Authors: Chung~~, C.~~, Bamborough, P~~.~~, Demont, E~~.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Crystal structure of human ATAD2 bromodomain in complex with 4-(3R,4R) -4-(3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)aminopiperidin-3-yloxymethyl)-1-thiane-1,1-dione~~	+	== References ==
-	[[Category: ~~Unreleased Structures~~]]	+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Adenosinetriphosphatase]]
		+	[[Category: Bamborough, P]]
	[[Category: Chung, C]]		[[Category: Chung, C]]
	[[Category: Demont, E]]		[[Category: Demont, E]]
-	[[Category: ~~Bamborough, P~~]]	+	[[Category: Atad2]]
		+	[[Category: Atpase family aaa domain-containing protein 2]]
		+	[[Category: Bromodomain]]
		+	[[Category: Epigenetic]]
		+	[[Category: Inhibitor]]

OCA: Protected "5a82" [edit=sysop:move=sysop]

OCA — Wed, 22 Jul 2015 12:09:17 GMT

Protected "5a82" [edit=sysop:move=sysop]

←Older revision

Revision as of 12:09, 22 July 2015

OCA: New page: '''Unreleased structure''' The entry 5a82 is ON HOLD Authors: Chung, C., Bamborough, P., Demont, E. Description: Crystal structure of human ATAD2 bromodomain in complex with 4-(3R,4R) ...

OCA — Wed, 22 Jul 2015 12:09:16 GMT

New page: '''Unreleased structure''' The entry 5a82 is ON HOLD Authors: Chung, C., Bamborough, P., Demont, E. Description: Crystal structure of human ATAD2 bromodomain in complex with 4-(3R,4R) ...

New page

'''Unreleased structure'''

The entry 5a82 is ON HOLD

Authors: Chung, C., Bamborough, P., Demont, E.

Description: Crystal structure of human ATAD2 bromodomain in complex with 4-(3R,4R) -4-(3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)aminopiperidin-3-yloxymethyl)-1-thiane-1,1-dione
[[Category: Unreleased Structures]]
[[Category: Chung, C]]
[[Category: Demont, E]]
[[Category: Bamborough, P]]