6hie - Revision history

OCA at 07:29, 4 November 2020

2020-11-04T07:29:22Z

←Older revision		Revision as of 07:29, 4 November 2020
Line 1:		Line 1:

	==The ATAD2 bromodomain in complex with compound 17==		==The ATAD2 bromodomain in complex with compound 17==
-	<StructureSection load='6hie' size='340' side='right' caption='[[6hie]], [[Resolution\|resolution]] 2.05Å' scene=''>	+	<StructureSection load='6hie' size='340' side='right'caption='[[6hie]], [[Resolution\|resolution]] 2.05Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6hie]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6HIE OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6HIE FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6hie]] 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=6HIE OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6HIE FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=G7Q:(2~{R})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide'>G7Q</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" id="ligandDat"><scene name='pdbligand=G7Q:(2~{R})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide'>G7Q</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=6hie FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hie OCA], [http://pdbe.org/6hie PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6hie RCSB], [http://www.ebi.ac.uk/pdbsum/6hie PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6hie 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=6hie FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hie OCA], [http://pdbe.org/6hie PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6hie RCSB], [http://www.ebi.ac.uk/pdbsum/6hie PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6hie 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>		[[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 ==
		+	Small molecule ligand binding to the ATAD2 bromodomain is investigated here through the synergistic combination of molecular dynamics and protein crystallography. A previously unexplored conformation of the binding pocket upon rearrangement of the gatekeeper residue Ile1074 has been found. Further, our investigations reveal how minor structural differences in the ligands result in binding with different plasticity of the ZA loop for this difficult-to-drug bromodomain.
		+
		+	Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.,Dolbois A, Batiste L, Wiedmer L, Dong J, Brutsch M, Huang D, Deerain NM, Spiliotopoulos D, Cheng-Sanchez I, Laul E, Nevado C, Sledz P, Caflisch A ACS Med Chem Lett. 2020 Jun 30;11(8):1573-1580. doi:, 10.1021/acsmedchemlett.0c00080. eCollection 2020 Aug 13. PMID:32832026<ref>PMID:32832026</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6hie" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[ATPase family AAA domain-containing protein\|ATPase family AAA domain-containing protein]]
	== References ==		== References ==
	<references/>		<references/>
Line 15:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: Adenosinetriphosphatase]]		[[Category: Adenosinetriphosphatase]]
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Caflisch, A]]		[[Category: Caflisch, A]]
	[[Category: Sledz, P]]		[[Category: Sledz, P]]

OCA at 06:45, 21 February 2019

2019-02-21T06:45:11Z

←Older revision		Revision as of 06:45, 21 February 2019
Line 1:		Line 1:
-	'''Unreleased structure'''

-	The ~~entry~~ 6hie is ~~ON HOLD~~	+	==The ATAD2 bromodomain in complex with compound 17==
-		+	<StructureSection load='6hie' size='340' side='right' caption='[[6hie]], [[Resolution\|resolution]] 2.05Å' scene=''>
-	~~Authors~~: ~~Sledz~~, P., ~~Caflisch~~, A.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6hie]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6HIE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6HIE FirstGlance]. <br>
-	~~Description~~: ~~The ATAD2 bromodomain~~ in ~~complex with compound 17~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=G7Q:(2~{R})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide'>G7Q</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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/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=6hie FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hie OCA], [http://pdbe.org/6hie PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6hie RCSB], [http://www.ebi.ac.uk/pdbsum/6hie PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6hie 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>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Adenosinetriphosphatase]]
		+	[[Category: Caflisch, A]]
	[[Category: Sledz, P]]		[[Category: Sledz, P]]
-	[[Category: ~~Caflisch, A~~]]	+	[[Category: Atad2]]
		+	[[Category: Bromodomain]]
		+	[[Category: Complex]]
		+	[[Category: Cytosolic protein]]
		+	[[Category: Inhibitor]]

OCA at 06:02, 12 September 2018

2018-09-12T06:02:00Z

←Older revision		Revision as of 06:02, 12 September 2018
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6hie is ON HOLD ~~until sometime in the future~~	+	The entry 6hie is ON HOLD

	Authors: Sledz, P., Caflisch, A.		Authors: Sledz, P., Caflisch, A.
Line 7:		Line 7:
	Description: The ATAD2 bromodomain in complex with compound 17		Description: The ATAD2 bromodomain in complex with compound 17
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
-	[[Category: Caflisch, A]]
	[[Category: Sledz, P]]		[[Category: Sledz, P]]
		+	[[Category: Caflisch, A]]

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

2018-09-05T08:48:02Z

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

←Older revision

Revision as of 08:48, 5 September 2018

OCA: New page: '''Unreleased structure''' The entry 6hie is ON HOLD until sometime in the future Authors: Sledz, P., Caflisch, A. Description: The ATAD2 bromodomain in complex with compound 17 [[Cate...

2018-09-05T08:48:01Z

New page: '''Unreleased structure''' The entry 6hie is ON HOLD until sometime in the future Authors: Sledz, P., Caflisch, A. Description: The ATAD2 bromodomain in complex with compound 17 [[Cate...

New page

'''Unreleased structure'''

The entry 6hie is ON HOLD until sometime in the future

Authors: Sledz, P., Caflisch, A.

Description: The ATAD2 bromodomain in complex with compound 17
[[Category: Unreleased Structures]]
[[Category: Caflisch, A]]
[[Category: Sledz, P]]