6hi5 - Revision history

OCA at 07:28, 4 November 2020

OCA — Wed, 04 Nov 2020 07:28:51 GMT

←Older revision		Revision as of 07:28, 4 November 2020
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	==The ATAD2 bromodomain in complex with compound 8==		==The ATAD2 bromodomain in complex with compound 8==
-	<StructureSection load='6hi5' size='340' side='right' caption='[[6hi5]], [[Resolution\|resolution]] 1.59Å' scene=''>	+	<StructureSection load='6hi5' size='340' side='right'caption='[[6hi5]], [[Resolution\|resolution]] 1.59Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6hi5]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6HI5 OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6HI5 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6hi5]] 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=6HI5 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6HI5 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=G6E:(2~{R})-2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide'>G6E</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=G6E:(2~{R})-2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide'>G6E</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6epu\|6epu]], [[6epx\|6epx]], [[6epv\|6epv]], [[6epj\|6epj]], [[6ept\|6ept]], [[5f36\|5f36]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6epu\|6epu]], [[6epx\|6epx]], [[6epv\|6epv]], [[6epj\|6epj]], [[6ept\|6ept]], [[5f36\|5f36]]</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=6hi5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hi5 OCA], [http://pdbe.org/6hi5 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6hi5 RCSB], [http://www.ebi.ac.uk/pdbsum/6hi5 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6hi5 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=6hi5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hi5 OCA], [http://pdbe.org/6hi5 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6hi5 RCSB], [http://www.ebi.ac.uk/pdbsum/6hi5 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6hi5 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 6hi5" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[ATPase family AAA domain-containing protein\|ATPase family AAA domain-containing protein]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Caflisch, A]]		[[Category: Caflisch, A]]
	[[Category: Sledz, P]]		[[Category: Sledz, P]]

OCA at 06:44, 21 February 2019

OCA — Thu, 21 Feb 2019 06:44:28 GMT

←Older revision		Revision as of 06:44, 21 February 2019
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-	'''Unreleased structure'''

-	The ~~entry~~ 6hi5 is ~~ON HOLD until Paper Publication~~	+	==The ATAD2 bromodomain in complex with compound 8==
-		+	<StructureSection load='6hi5' size='340' side='right' caption='[[6hi5]], [[Resolution\|resolution]] 1.59Å' scene=''>
-	~~Authors~~: ~~Sledz~~, P., ~~Caflisch~~, A.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6hi5]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6HI5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6HI5 FirstGlance]. <br>
-	~~Description: The ATAD2 bromodomain in complex with compound 8~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=G6E:(2~{R})-2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide'>G6E</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	[[~~Category~~: ~~Unreleased Structures~~]]	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6epu\|6epu]], [[6epx\|6epx]], [[6epv\|6epv]], [[6epj\|6epj]], [[6ept\|6ept]], [[5f36\|5f36]]</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=6hi5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hi5 OCA], [http://pdbe.org/6hi5 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6hi5 RCSB], [http://www.ebi.ac.uk/pdbsum/6hi5 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6hi5 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: Caflisch, A]]		[[Category: Caflisch, A]]
	[[Category: Sledz, P]]		[[Category: Sledz, P]]
		+	[[Category: Atad2]]
		+	[[Category: Bromodomain]]
		+	[[Category: Complex]]
		+	[[Category: Cytosolic protein]]
		+	[[Category: Inhibitor]]

OCA: Protected "6hi5" [edit=sysop:move=sysop]

OCA — Wed, 05 Sep 2018 08:47:35 GMT

Protected "6hi5" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:47, 5 September 2018

OCA: New page: '''Unreleased structure''' The entry 6hi5 is ON HOLD until Paper Publication Authors: Sledz, P., Caflisch, A. Description: The ATAD2 bromodomain in complex with compound 8 [[Category: ...

OCA — Wed, 05 Sep 2018 08:47:34 GMT

New page: '''Unreleased structure''' The entry 6hi5 is ON HOLD until Paper Publication Authors: Sledz, P., Caflisch, A. Description: The ATAD2 bromodomain in complex with compound 8 [[Category: ...

New page

'''Unreleased structure'''

The entry 6hi5 is ON HOLD until Paper Publication

Authors: Sledz, P., Caflisch, A.

Description: The ATAD2 bromodomain in complex with compound 8
[[Category: Unreleased Structures]]
[[Category: Caflisch, A]]
[[Category: Sledz, P]]