4e96 - Revision history

OCA at 14:55, 14 March 2024

2024-03-14T14:55:51Z

← Older revision		Revision as of 14:55, 14 March 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4e96]] 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=4E96 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4E96 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4e96]] 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=4E96 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4E96 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0NS:2-METHOXY-N-(3-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINAZOLIN-6-YL)BENZENESULFONAMIDE'>0NS</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</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]] 1.92Å</td></tr>
			<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0NS:2-METHOXY-N-(3-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINAZOLIN-6-YL)BENZENESULFONAMIDE'>0NS</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</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=4e96 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4e96 OCA], [https://pdbe.org/4e96 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4e96 RCSB], [https://www.ebi.ac.uk/pdbsum/4e96 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4e96 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=4e96 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4e96 OCA], [https://pdbe.org/4e96 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4e96 RCSB], [https://www.ebi.ac.uk/pdbsum/4e96 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4e96 ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
	[[https://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN]] Note=A chromosomal aberration involving BRD4 is found in a rare, aggressive, and lethal carcinoma arising in midline organs of young people. Translocation t(15;19)(q14;p13) with NUT which produces a BRD4-NUT fusion protein.<ref>PMID:12543779</ref> <ref>PMID:11733348</ref>		[https://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN] Note=A chromosomal aberration involving BRD4 is found in a rare, aggressive, and lethal carcinoma arising in midline organs of young people. Translocation t(15;19)(q14;p13) with NUT which produces a BRD4-NUT fusion protein.<ref>PMID:12543779</ref> <ref>PMID:11733348</ref>
	== Function ==		== Function ==
	[[https://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN]] Plays a role in a process governing chromosomal dynamics during mitosis (By similarity).		[https://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN] Plays a role in a process governing chromosomal dynamics during mitosis (By similarity).
	~~<div style="background-color:#fffaf0;">~~
	~~== Publication Abstract from PubMed ==~~
	The posttranslational modification of chromatin through acetylation at selected histone lysine residues is governed by histone acetyltransferases (HATs) and histone deacetylases (HDACs). The significance of this subset of the epigenetic code is interrogated and interpreted by an acetyllysine-specific protein-protein interaction with bromodomain reader modules. Selective inhibition of the bromo and extra C-terminal domain (BET) family of bromodomains with a small molecule is feasible, and this may represent an opportunity for disease intervention through the recently disclosed antiproliferative and anti-inflammatory properties of such inhibitors. Herein, we describe the discovery and structure-activity relationship (SAR) of a novel, small-molecule chemical probe for BET family inhibition that was identified through the application of structure-based fragment assessment and optimization techniques. This has yielded a potent, selective compound with cell-based activity (PFI-1) that may further add to the understanding of BET family function within the bromodomains.

	Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit.,Fish PV, Filippakopoulos P, Bish G, Brennan PE, Bunnage ME, Cook AS, Federov O, Gerstenberger BS, Jones H, Knapp S, Marsden B, Nocka K, Owen DR, Philpott M, Picaud S, Primiano MJ, Ralph MJ, Sciammetta N, Trzupek JD J Med Chem. 2012 Nov 8. PMID:23095041<ref>PMID:23095041</ref>

	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~
	~~</div>~~
	~~<div class="pdbe-citations 4e96" style="background-color:#fffaf0;"></div>~~

	==See Also==		==See Also==

OCA at 06:58, 28 September 2022

2022-09-28T06:58:16Z

← Older revision		Revision as of 06:58, 28 September 2022
Line 1:		Line 1:

	==Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1==		==Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1==
	<StructureSection load='4e96' size='340' side='right' caption='[[4e96]], [[Resolution\|resolution]] 1.92Å' scene=''>		<StructureSection load='4e96' size='340' side='right'caption='[[4e96]], [[Resolution\|resolution]] 1.92Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4e96]] 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=4E96 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4E96 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4e96]] 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=4E96 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4E96 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0NS:2-METHOXY-N-(3-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINAZOLIN-6-YL)BENZENESULFONAMIDE'>0NS</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>~~</td></tr>~~		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0NS:2-METHOXY-N-(3-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINAZOLIN-6-YL)BENZENESULFONAMIDE'>0NS</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr>
	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2oss\|2oss]]</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=4e96 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4e96 OCA], [https://pdbe.org/4e96 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4e96 RCSB], [https://www.ebi.ac.uk/pdbsum/4e96 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4e96 ProSAT]</span></td></tr>
	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BRD4, HUNK1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])~~</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=4e96 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4e96 OCA], [~~http~~://pdbe.org/4e96 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4e96 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4e96 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4e96 ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
	[[~~http~~://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN]] Note=A chromosomal aberration involving BRD4 is found in a rare, aggressive, and lethal carcinoma arising in midline organs of young people. Translocation t(15;19)(q14;p13) with NUT which produces a BRD4-NUT fusion protein.<ref>PMID:12543779</ref> <ref>PMID:11733348</ref>		[[https://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN]] Note=A chromosomal aberration involving BRD4 is found in a rare, aggressive, and lethal carcinoma arising in midline organs of young people. Translocation t(15;19)(q14;p13) with NUT which produces a BRD4-NUT fusion protein.<ref>PMID:12543779</ref> <ref>PMID:11733348</ref>
	== Function ==		== Function ==
	[[~~http~~://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN]] Plays a role in a process governing chromosomal dynamics during mitosis (By similarity).		[[https://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN]] Plays a role in a process governing chromosomal dynamics during mitosis (By similarity).
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 24:		Line 22:

	==See Also==		==See Also==
	*[[Bromodomain-containing protein\|Bromodomain-containing protein]]		*[[Bromodomain-containing protein 3D structures\|Bromodomain-containing protein 3D structures]]
	*[[Multiple sclerosis\|Multiple sclerosis]]		*[[Multiple sclerosis\|Multiple sclerosis]]
	== References ==		== References ==
Line 30:		Line 28:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Human~~]]		[[Category: Homo sapiens]]
	[[Category: ~~Arrowsmith, C H~~]]		[[Category: Large Structures]]
	[[Category: ~~Bunnage, M~~]]		[[Category: Arrowsmith CH]]
	[[Category: ~~Cook, A~~]]		[[Category: Bunnage M]]
	[[Category: ~~Delft, F von~~]]		[[Category: Cook A]]
	[[Category: Edwards~~, A M~~]]		[[Category: Edwards AM]]
	[[Category: Fedorov, O]]		[[Category: Fedorov O]]
	[[Category: Felletar, I]]		[[Category: Felletar I]]
	[[Category: Filippakopoulos, P]]		[[Category: Filippakopoulos P]]
	[[Category: Fish, P]]		[[Category: Fish P]]
	[[Category: Knapp, S]]		[[Category: Knapp S]]
	[[Category: Owen, D]]		[[Category: Owen D]]
	[[Category: Picaud, S]]		[[Category: Picaud S]]
	~~[[Category: Structural genomic~~]]		[[Category: Weigelt J]]
	[[Category: Weigelt, J]]		[[Category: Von Delft F]]
	[[Category: ~~Betsoff1]]~~
	~~[[Category: Bromodomain]]~~
	~~[[Category: Cap]]~~
	~~[[Category: Cell cycle]]~~
	~~[[Category: Hunk1]]~~
	~~[[Category: Jq1]]~~
	~~[[Category: Mcap]]~~
	~~[[Category: Mitotic chromosome associated protein]]~~
	~~[[Category: Protein binding-inhibitor complex]]~~
	~~[[Category: Sgc~~]]

OCA at 15:07, 11 August 2016

2016-08-11T15:07:58Z

← Older revision		Revision as of 15:07, 11 August 2016
Line 1:		Line 1:

	==Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1==		==Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1==
	<StructureSection load='4e96' size='340' side='right' caption='[[4e96]], [[Resolution\|resolution]] 1.92Å' scene=''>		<StructureSection load='4e96' size='340' side='right' caption='[[4e96]], [[Resolution\|resolution]] 1.92Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4e96]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Homo_sapiens Homo sapiens~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4E96 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4E96 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4e96]] 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=4E96 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4E96 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0NS:2-METHOXY-N-(3-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINAZOLIN-6-YL)BENZENESULFONAMIDE'>0NS</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0NS:2-METHOXY-N-(3-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINAZOLIN-6-YL)BENZENESULFONAMIDE'>0NS</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2oss\|2oss]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2oss\|2oss]]</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BRD4, HUNK1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 ~~Homo sapiens~~])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BRD4, HUNK1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=4e96 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4e96 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4e96 RCSB], [http://www.ebi.ac.uk/pdbsum/4e96 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=4e96 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4e96 OCA], [http://pdbe.org/4e96 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4e96 RCSB], [http://www.ebi.ac.uk/pdbsum/4e96 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4e96 ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
Line 20:		Line 21:
	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 4e96" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
			*[[Bromodomain-containing protein\|Bromodomain-containing protein]]
	*[[Multiple sclerosis\|Multiple sclerosis]]		*[[Multiple sclerosis\|Multiple sclerosis]]
	== References ==		== References ==
Line 27:		Line 30:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Homo sapiens~~]]		[[Category: Human]]
	[[Category: Arrowsmith, C H]]		[[Category: Arrowsmith, C H]]
	[[Category: Bunnage, M]]		[[Category: Bunnage, M]]

OCA at 13:41, 4 January 2015

2015-01-04T13:41:16Z

← Older revision		Revision as of 13:41, 4 January 2015
Line 1:		Line 1:
	~~{{STRUCTURE_4e96\| PDB=4e96 \| SCENE= }}~~		==Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1==
	===Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1===		<StructureSection load='4e96' size='340' side='right' caption='[[4e96]], [[Resolution\|resolution]] 1.92Å' scene=''>
	~~{{ABSTRACT_PUBMED_23095041}}~~		== Structural highlights ==
			<table><tr><td colspan='2'>[[4e96]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4E96 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4E96 FirstGlance]. <br>
	==Disease==		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0NS:2-METHOXY-N-(3-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINAZOLIN-6-YL)BENZENESULFONAMIDE'>0NS</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr>
	[[http://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN]] Note=A chromosomal aberration involving BRD4 is found in a rare, aggressive, and lethal carcinoma arising in midline organs of young people. Translocation t(15;19)(q14;p13) with NUT which produces a BRD4-NUT fusion protein.<ref>PMID:12543779</ref><ref>PMID:11733348</ref>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2oss\|2oss]]</td></tr>
			<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BRD4, HUNK1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</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=4e96 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4e96 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4e96 RCSB], [http://www.ebi.ac.uk/pdbsum/4e96 PDBsum]</span></td></tr>
			</table>
			== Disease ==
			[[http://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN]] Note=A chromosomal aberration involving BRD4 is found in a rare, aggressive, and lethal carcinoma arising in midline organs of young people. Translocation t(15;19)(q14;p13) with NUT which produces a BRD4-NUT fusion protein.<ref>PMID:12543779</ref> <ref>PMID:11733348</ref>
			== Function ==
			[[http://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN]] Plays a role in a process governing chromosomal dynamics during mitosis (By similarity).
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			The posttranslational modification of chromatin through acetylation at selected histone lysine residues is governed by histone acetyltransferases (HATs) and histone deacetylases (HDACs). The significance of this subset of the epigenetic code is interrogated and interpreted by an acetyllysine-specific protein-protein interaction with bromodomain reader modules. Selective inhibition of the bromo and extra C-terminal domain (BET) family of bromodomains with a small molecule is feasible, and this may represent an opportunity for disease intervention through the recently disclosed antiproliferative and anti-inflammatory properties of such inhibitors. Herein, we describe the discovery and structure-activity relationship (SAR) of a novel, small-molecule chemical probe for BET family inhibition that was identified through the application of structure-based fragment assessment and optimization techniques. This has yielded a potent, selective compound with cell-based activity (PFI-1) that may further add to the understanding of BET family function within the bromodomains.

	~~==Function==~~		Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit.,Fish PV, Filippakopoulos P, Bish G, Brennan PE, Bunnage ME, Cook AS, Federov O, Gerstenberger BS, Jones H, Knapp S, Marsden B, Nocka K, Owen DR, Philpott M, Picaud S, Primiano MJ, Ralph MJ, Sciammetta N, Trzupek JD J Med Chem. 2012 Nov 8. PMID:23095041<ref>PMID:23095041</ref>
	~~[[http://www~~.~~uniprot~~.~~org/uniprot~~/~~BRD4_HUMAN BRD4_HUMAN]] Plays a role in a process governing chromosomal dynamics during mitosis (By similarity).~~

	~~==About this Structure==~~		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	~~[[4e96]] is~~ a ~~1 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Homo_sapiens Homo sapiens]~~. ~~Full crystallographic information is available from [http:/~~/~~oca.weizmann.ac.il/oca-bin/ocashort?id=4E96 OCA].~~		</div>

	==See Also==		==See Also==
	*[[Multiple sclerosis\|Multiple sclerosis]]		*[[Multiple sclerosis\|Multiple sclerosis]]
			== References ==
	==~~Reference~~==		<references/>
	<references ~~group="xtra"~~/><~~references~~/>		__TOC__
			</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Arrowsmith, C H.]]		[[Category: Arrowsmith, C H]]
	[[Category: Bunnage, M.]]		[[Category: Bunnage, M]]
	[[Category: Cook, A.]]		[[Category: Cook, A]]
	[[Category: Delft, F von.]]		[[Category: Delft, F von]]
	[[Category: Edwards, A M.]]		[[Category: Edwards, A M]]
	[[Category: Fedorov, O.]]		[[Category: Fedorov, O]]
	[[Category: Felletar, I.]]		[[Category: Felletar, I]]
	[[Category: Filippakopoulos, P.]]		[[Category: Filippakopoulos, P]]
	[[Category: Fish, P.]]		[[Category: Fish, P]]
	[[Category: Knapp, S.]]		[[Category: Knapp, S]]
	[[Category: Owen, D.]]		[[Category: Owen, D]]
	[[Category: Picaud, S.]]		[[Category: Picaud, S]]
	[[Category: ~~SGC,~~ Structural ~~Genomics Consortium.~~]]		[[Category: Structural genomic]]
	[[Category: Weigelt, J.]]		[[Category: Weigelt, J]]
	[[Category: Betsoff1]]		[[Category: Betsoff1]]
	[[Category: Bromodomain]]		[[Category: Bromodomain]]
Line 42:		Line 52:
	[[Category: Protein binding-inhibitor complex]]		[[Category: Protein binding-inhibitor complex]]
	[[Category: Sgc]]		[[Category: Sgc]]
	~~[[Category: Structural genomics consortium]]~~

OCA at 23:56, 24 March 2013

2013-03-24T23:56:52Z

← Older revision		Revision as of 23:56, 24 March 2013
Line 1:		Line 1:
	~~[[Image:4e96.png\|left\|200px]]~~

	{{STRUCTURE_4e96\| PDB=4e96 \| SCENE= }}		{{STRUCTURE_4e96\| PDB=4e96 \| SCENE= }}
			===Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1===
			{{ABSTRACT_PUBMED_23095041}}

	===~~Crystal Structure of the first bromodomain of human~~ BRD4 in ~~complex~~ with ~~the inhibitor PFi~~-~~1===~~		==Disease==
			[[http://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN]] Note=A chromosomal aberration involving BRD4 is found in a rare, aggressive, and lethal carcinoma arising in midline organs of young people. Translocation t(15;19)(q14;p13) with NUT which produces a BRD4-NUT fusion protein.<ref>PMID:12543779</ref><ref>PMID:11733348</ref>

	~~{{ABSTRACT_PUBMED_23095041}}~~		==Function==
			[[http://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN]] Plays a role in a process governing chromosomal dynamics during mitosis (By similarity).

	==About this Structure==		==About this Structure==
Line 12:		Line 14:
	==See Also==		==See Also==
	*[[Multiple sclerosis\|Multiple sclerosis]]		*[[Multiple sclerosis\|Multiple sclerosis]]

			==Reference==
			<references group="xtra"/><references/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Arrowsmith, C H.]]		[[Category: Arrowsmith, C H.]]

OCA at 13:23, 27 February 2013

2013-02-27T13:23:16Z

← Older revision		Revision as of 13:23, 27 February 2013
Line 5:		Line 5:
	===Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1===		===Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1===

			{{ABSTRACT_PUBMED_23095041}}

	==About this Structure==		==About this Structure==

OCA at 16:18, 20 October 2012

2012-10-20T16:18:08Z

← Older revision		Revision as of 16:18, 20 October 2012
Line 7:		Line 7:

	==About this Structure==		==About this Structure==
	[[4e96]] is a 1 chain structure ~~of [[Multiple sclerosis]]~~ with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4E96 OCA].		[[4e96]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4E96 OCA].

	==See Also==		==See Also==

OCA at 21:13, 26 July 2012

2012-07-26T21:13:40Z

← Older revision		Revision as of 21:13, 26 July 2012
Line 1:		Line 1:
	[[Image:4e96.png\|left\|200px]]		[[Image:4e96.png\|left\|200px]]

	~~<!--~~
	~~The line below this paragraph, containing "STRUCTURE_4e96", creates the "Structure Box" on the page.~~
	~~You may change the PDB parameter (which sets the PDB file loaded into the applet)~~
	~~or the SCENE parameter (which sets the initial scene displayed when the page is loaded),~~
	~~or leave the SCENE parameter empty for the default display.~~
	~~-->~~
	{{STRUCTURE_4e96\| PDB=4e96 \| SCENE= }}		{{STRUCTURE_4e96\| PDB=4e96 \| SCENE= }}

OCA at 08:20, 25 April 2012

2012-04-25T08:20:53Z

← Older revision		Revision as of 08:20, 25 April 2012
Line 1:		Line 1:
	[[Image:4e96.~~jpg~~\|left\|200px]]		[[Image:4e96.png\|left\|200px]]

	<!--		<!--
Line 13:		Line 13:

	==About this Structure==		==About this Structure==
	[[4e96]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4E96 OCA].		[[4e96]] is a 1 chain structure of [[Multiple sclerosis]] with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4E96 OCA].

			==See Also==
			*[[Multiple sclerosis\|Multiple sclerosis]]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Arrowsmith, C H.]]		[[Category: Arrowsmith, C H.]]
	[[Category: Bunnage, M.]]		[[Category: Bunnage, M.]]
			[[Category: Cook, A.]]
	[[Category: Delft, F von.]]		[[Category: Delft, F von.]]
	[[Category: Edwards, A M.]]		[[Category: Edwards, A M.]]

OCA at 08:01, 18 April 2012

2012-04-18T08:01:22Z

@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
+[[Image:4e96.jpg|left|200px]]
-The entry 4e96 is ON HOLD
+<!--
-Authors: Filippakopoulos, P., Picaud, S., Felletar, I., Fedorov, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Fish, P., Bunnage, M., Owen, D., Knapp, S., Structural Genomics Consortium (SGC)
+===Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1===
-Description: Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1