3u5j - Revision history

OCA at 13:48, 14 March 2024

2024-03-14T13:48:34Z

←Older revision		Revision as of 13:48, 14 March 2024
Line 3:		Line 3:
	<StructureSection load='3u5j' size='340' side='right'caption='[[3u5j]], [[Resolution\|resolution]] 1.60Å' scene=''>		<StructureSection load='3u5j' size='340' side='right'caption='[[3u5j]], [[Resolution\|resolution]] 1.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3u5j]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U5J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3U5J FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3u5j]] 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=3U5J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3U5J FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=08H:8~~-~~CHLORO-1-METHYL-6-PHENYL-4H-[1~~,~~2,4]TRIAZOLO~~[~~4,3-A~~]~~[1,4~~]~~BENZODIAZEPINE'>08H</scene>, <scene name='pdbligand=EDO:~~1~~,2-ETHANEDIOL'>EDO</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]] 1.6Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><~~div style~~='~~overflow~~: ~~auto; max~~-~~height: 3em;'>~~[~~[3u5k\|3u5k]~~], [~~[3u5l\|3u5l]~~]~~</div~~></td><~~/tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=08H:8-CHLORO-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPINE'>08H</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
-	~~<tr id~~='~~gene'><td class~~=~~"sblockLbl"><b>[[Gene\|Gene~~:~~]]</b~~></td>~~<td class="sblockDat">BRD4, HUNK1 ([https://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'>[https://proteopedia.org/fgij/fg.htm?mol=3u5j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u5j OCA], [https://pdbe.org/3u5j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3u5j RCSB], [https://www.ebi.ac.uk/pdbsum/3u5j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3u5j 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=3u5j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u5j OCA], [https://pdbe.org/3u5j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3u5j RCSB], [https://www.ebi.ac.uk/pdbsum/3u5j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3u5j 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 ==~~	+
-	Benzodiazepines are psychoactive drugs with anxiolytic, sedative, skeletal muscle relaxant and amnestic properties. Recently triazolo-benzodiazepines have been also described as potent and highly selective protein interaction inhibitors of bromodomain and extra-terminal (BET) proteins, a family of transcriptional co-regulators that play a key role in cancer cell survival and proliferation, but the requirements for high affinity interaction of this compound class with bromodomains has not been described. Here we provide insight into the structure-activity relationship (SAR) and selectivity of this versatile scaffold. In addition, using high resolution crystal structures we compared the binding mode of a series of benzodiazepine (BzD) and related triazolo-benzotriazepines (BzT) derivatives including clinically approved drugs such as alprazolam and midazolam. Our analysis revealed the importance of the 1-methyl triazolo ring system for BET binding and suggests modifications for the development of further high affinity bromodomain inhibitors.	+
-		+
-	Benzodiazepines and benzotriazepines as protein interaction inhibitors targeting bromodomains of the BET family.,Filippakopoulos P, Picaud S, Fedorov O, Keller M, Wrobel M, Morgenstern O, Bracher F, Knapp S Bioorg Med Chem. 2011 Nov 4. PMID:22137933<ref>PMID:22137933</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 3u5j" style="background-color:#fffaf0;"></div>~~	+

	==See Also==		==See Also==
Line 29:		Line 19:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Arrowsmith~~, C H~~]]	+	[[Category: Arrowsmith CH]]
-	[[Category: Bountra, C]]	+	[[Category: Bountra C]]
-	~~[[Category: Delft, F von~~]]	+	[[Category: Edwards AM]]
-	[[Category: Edwards~~, A M~~]]	+	[[Category: Fedorov O]]
-	[[Category: Fedorov, O]]	+	[[Category: Felletar I]]
-	[[Category: Felletar, I]]	+	[[Category: Filippakopoulos P]]
-	[[Category: Filippakopoulos, P]]	+	[[Category: Knapp S]]
-	[[Category: Knapp, S]]	+	[[Category: Picaud S]]
-	[[Category: Picaud, S]]	+	[[Category: Weigelt J]]
-	~~[[Category: Structural genomic~~]]	+	[[Category: Von Delft F]]
-	[[Category: Weigelt, J]]	+
-	[[Category: ~~Brd4]]~~	+
-	~~[[Category: Bromodomain containing protein 4]]~~	+
-	~~[[Category: Bromodomain-containing protein 4 isoform long]]~~	+
-	~~[[Category: Cap]]~~	+
-	~~[[Category: Hunk1]]~~	+
-	~~[[Category: Mcap]]~~	+
-	~~[[Category: Mitotic chromosome associated protein]]~~	+
-	~~[[Category: Sgc]]~~	+
-	~~[[Category: Signaling protein-inhibitor complex~~]]	+

OCA at 05:58, 13 July 2022

2022-07-13T05:58:40Z

←Older revision		Revision as of 05:58, 13 July 2022
Line 1:		Line 1:

	==Crystal Structure of the first bromodomain of human BRD4 in complex with Alprazolam==		==Crystal Structure of the first bromodomain of human BRD4 in complex with Alprazolam==
-	<StructureSection load='3u5j' size='340' side='right' caption='[[3u5j]], [[Resolution\|resolution]] 1.60Å' scene=''>	+	<StructureSection load='3u5j' size='340' side='right'caption='[[3u5j]], [[Resolution\|resolution]] 1.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3u5j]] 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=3U5J OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3U5J FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3u5j]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U5J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3U5J FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=08H:8-CHLORO-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPINE'>08H</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=08H:8-CHLORO-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPINE'>08H</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3u5k\|3u5k]], [[3u5l\|3u5l]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3u5k\|3u5k]], [[3u5l\|3u5l]]</div></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='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BRD4, HUNK1 ([https://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=3u5j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u5j OCA], [~~http~~://pdbe.org/3u5j PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3u5j RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3u5j PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3u5j 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=3u5j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u5j OCA], [https://pdbe.org/3u5j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3u5j RCSB], [https://www.ebi.ac.uk/pdbsum/3u5j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3u5j 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 24:

	==See Also==		==See Also==
-	*[[Bromodomain-containing protein\|Bromodomain-containing protein]]	+	*[[Bromodomain-containing protein 3D structures\|Bromodomain-containing protein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 30:		Line 30:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Arrowsmith, C H]]		[[Category: Arrowsmith, C H]]
	[[Category: Bountra, C]]		[[Category: Bountra, C]]

OCA at 11:30, 5 August 2016

2016-08-05T11:30:33Z

←Older revision		Revision as of 11:30, 5 August 2016
Line 1:		Line 1:
		+
	==Crystal Structure of the first bromodomain of human BRD4 in complex with Alprazolam==		==Crystal Structure of the first bromodomain of human BRD4 in complex with Alprazolam==
	<StructureSection load='3u5j' size='340' side='right' caption='[[3u5j]], [[Resolution\|resolution]] 1.60Å' scene=''>		<StructureSection load='3u5j' size='340' side='right' caption='[[3u5j]], [[Resolution\|resolution]] 1.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3u5j]] 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=3U5J OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3U5J FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3u5j]] 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=3U5J OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3U5J FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=08H:8-CHLORO-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPINE'>08H</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=08H:8-CHLORO-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPINE'>08H</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3u5k\|3u5k]], [[3u5l\|3u5l]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3u5k\|3u5k]], [[3u5l\|3u5l]]</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=3u5j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u5j OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3u5j RCSB], [http://www.ebi.ac.uk/pdbsum/3u5j 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=3u5j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u5j OCA], [http://pdbe.org/3u5j PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3u5j RCSB], [http://www.ebi.ac.uk/pdbsum/3u5j PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3u5j 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 3u5j" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Bromodomain-containing protein\|Bromodomain-containing protein]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Arrowsmith, C H]]		[[Category: Arrowsmith, C H]]
	[[Category: Bountra, C]]		[[Category: Bountra, C]]

OCA at 07:25, 21 December 2014

2014-12-21T07:25:57Z

←Older revision		Revision as of 07:25, 21 December 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_3u5j\| PDB=3u5j \| SCENE= }}~~	+	==Crystal Structure of the first bromodomain of human BRD4 in complex with Alprazolam==
-	===Crystal Structure of the first bromodomain of human BRD4 in complex with Alprazolam===	+	<StructureSection load='3u5j' size='340' side='right' caption='[[3u5j]], [[Resolution\|resolution]] 1.60Å' scene=''>
-	~~{{ABSTRACT_PUBMED_22137933}}~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[3u5j]] 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=3U5J OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3U5J FirstGlance]. <br>
-	==Disease==	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=08H:8-CHLORO-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPINE'>08H</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</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">[[3u5k\|3u5k]], [[3u5l\|3u5l]]</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>
-	==Function==	+	<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=3u5j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u5j OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3u5j RCSB], [http://www.ebi.ac.uk/pdbsum/3u5j 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).		[[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 ==
		+	Benzodiazepines are psychoactive drugs with anxiolytic, sedative, skeletal muscle relaxant and amnestic properties. Recently triazolo-benzodiazepines have been also described as potent and highly selective protein interaction inhibitors of bromodomain and extra-terminal (BET) proteins, a family of transcriptional co-regulators that play a key role in cancer cell survival and proliferation, but the requirements for high affinity interaction of this compound class with bromodomains has not been described. Here we provide insight into the structure-activity relationship (SAR) and selectivity of this versatile scaffold. In addition, using high resolution crystal structures we compared the binding mode of a series of benzodiazepine (BzD) and related triazolo-benzotriazepines (BzT) derivatives including clinically approved drugs such as alprazolam and midazolam. Our analysis revealed the importance of the 1-methyl triazolo ring system for BET binding and suggests modifications for the development of further high affinity bromodomain inhibitors.

-	~~==About this Structure==~~	+	Benzodiazepines and benzotriazepines as protein interaction inhibitors targeting bromodomains of the BET family.,Filippakopoulos P, Picaud S, Fedorov O, Keller M, Wrobel M, Morgenstern O, Bracher F, Knapp S Bioorg Med Chem. 2011 Nov 4. PMID:22137933<ref>PMID:22137933</ref>
-	~~[[3u5j]] 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=3U5J OCA].~~	+

-	==~~Reference~~==	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~<ref group="xtra">PMID:022137933</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	</div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
-	[[Category: Arrowsmith, C H.]]	+	[[Category: Arrowsmith, C H]]
-	[[Category: Bountra, C.]]	+	[[Category: Bountra, C]]
-	[[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: Knapp, S.]]	+	[[Category: Knapp, S]]
-	[[Category: Picaud, S.]]	+	[[Category: Picaud, S]]
-	[[Category: ~~SGC,~~ Structural ~~Genomics Consortium.~~]]	+	[[Category: Structural genomic]]
-	[[Category: Weigelt, J.]]	+	[[Category: Weigelt, J]]
	[[Category: Brd4]]		[[Category: Brd4]]
	[[Category: Bromodomain containing protein 4]]		[[Category: Bromodomain containing protein 4]]
Line 35:		Line 45:
	[[Category: Sgc]]		[[Category: Sgc]]
	[[Category: Signaling protein-inhibitor complex]]		[[Category: Signaling protein-inhibitor complex]]
-	[[Category: Structural genomics consortium]]

OCA at 21:22, 24 March 2013

2013-03-24T21:22:13Z

←Older revision		Revision as of 21:22, 24 March 2013
Line 1:		Line 1:
-	[[Image:3u5j.png\|left\|200px]]
-
-	<!--
-	The line below this paragraph, containing "STRUCTURE_3u5j", 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_3u5j\| PDB=3u5j \| SCENE= }}		{{STRUCTURE_3u5j\| PDB=3u5j \| SCENE= }}
-
	===Crystal Structure of the first bromodomain of human BRD4 in complex with Alprazolam===		===Crystal Structure of the first bromodomain of human BRD4 in complex with Alprazolam===
		+	{{ABSTRACT_PUBMED_22137933}}

		+	==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==
-	~~The line below this paragraph, {{ABSTRACT_PUBMED_22137933}}, adds the Publication Abstract to the page~~	+	[[http://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN]] Plays a role in a process governing chromosomal dynamics during mitosis (By similarity).
-	~~(as it appears on PubMed at~~ http://www.~~pubmed~~.~~gov~~)~~, where 22137933 is the PubMed ID number~~.	+
-	~~-->~~	+
-	~~{{ABSTRACT_PUBMED_22137933}}~~	+

	==About this Structure==		==About this Structure==
Line 22:		Line 13:

	==Reference==		==Reference==
-	<ref group="xtra">PMID:022137933</ref><references group="xtra"/>	+	<ref group="xtra">PMID:022137933</ref><references group="xtra"/><references/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Arrowsmith, C H.]]		[[Category: Arrowsmith, C H.]]

OCA at 04:54, 8 March 2012

2012-03-08T04:54:04Z

←Older revision		Revision as of 04:54, 8 March 2012
Line 1:		Line 1:
-	[[Image:3u5j.~~jpg~~\|left\|200px]]	+	[[Image:3u5j.png\|left\|200px]]

	<!--		<!--
Line 11:		Line 11:
	===Crystal Structure of the first bromodomain of human BRD4 in complex with Alprazolam===		===Crystal Structure of the first bromodomain of human BRD4 in complex with Alprazolam===

		+
		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_22137933}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 22137933 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_22137933}}

	==About this Structure==		==About this Structure==
	[[3u5j]] 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=3U5J OCA].		[[3u5j]] 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=3U5J OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:022137933</ref><references group="xtra"/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Arrowsmith, C H.]]		[[Category: Arrowsmith, C H.]]

OCA at 19:18, 23 November 2011

2011-11-23T19:18:51Z

←Older revision		Revision as of 19:18, 23 November 2011
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:3u5j.jpg\|left\|200px]]

-	The ~~entry 3u5j~~ is ~~ON HOLD~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3u5j", 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_3u5j\| PDB=3u5j \| SCENE= }}

-	~~Authors: Filippakopoulos, P., Picaud, S., Felletar, I., Fedorov, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)~~	+	===Crystal Structure of the first bromodomain of human BRD4 in complex with Alprazolam===

-	~~Description: Crystal~~ Structure ~~of the first bromodomain of human BRD4 in complex~~ with ~~Alprazolam~~	+
		+	==About this Structure==
		+	[[3u5j]] 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=3U5J OCA].
		+	[[Category: Homo sapiens]]
		+	[[Category: Arrowsmith, C H.]]
		+	[[Category: Bountra, C.]]
		+	[[Category: Delft, F von.]]
		+	[[Category: Edwards, A M.]]
		+	[[Category: Fedorov, O.]]
		+	[[Category: Felletar, I.]]
		+	[[Category: Filippakopoulos, P.]]
		+	[[Category: Knapp, S.]]
		+	[[Category: Picaud, S.]]
		+	[[Category: SGC, Structural Genomics Consortium.]]
		+	[[Category: Weigelt, J.]]
		+	[[Category: Brd4]]
		+	[[Category: Bromodomain containing protein 4]]
		+	[[Category: Bromodomain-containing protein 4 isoform long]]
		+	[[Category: Cap]]
		+	[[Category: Hunk1]]
		+	[[Category: Mcap]]
		+	[[Category: Mitotic chromosome associated protein]]
		+	[[Category: Sgc]]
		+	[[Category: Signaling protein-inhibitor complex]]
		+	[[Category: Structural genomics consortium]]

OCA: Protected "3u5j" [edit=sysop:move=sysop]

2011-10-30T08:51:52Z

Protected "3u5j" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:51, 30 October 2011

OCA: New page: '''Unreleased structure''' The entry 3u5j is ON HOLD Authors: Filippakopoulos, P., Picaud, S., Felletar, I., Fedorov, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bo...

2011-10-30T08:51:51Z

New page: '''Unreleased structure''' The entry 3u5j is ON HOLD Authors: Filippakopoulos, P., Picaud, S., Felletar, I., Fedorov, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bo...

New page

'''Unreleased structure'''

The entry 3u5j is ON HOLD

Authors: Filippakopoulos, P., Picaud, S., Felletar, I., Fedorov, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)

Description: Crystal Structure of the first bromodomain of human BRD4 in complex with Alprazolam