4pce - Revision history

OCA at 00:42, 28 December 2023

OCA — Thu, 28 Dec 2023 00:42:35 GMT

←Older revision		Revision as of 00:42, 28 December 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4pce]] 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=4PCE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4PCE FirstGlance]. <br>		<table><tr><td colspan='2'>[[4pce]] 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=4PCE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4PCE FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2N0:1-BENZYL-2-ETHYL-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE'>2N0</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]] 1.293Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2N0:1-BENZYL-2-ETHYL-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE'>2N0</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</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=4pce FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pce OCA], [https://pdbe.org/4pce PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4pce RCSB], [https://www.ebi.ac.uk/pdbsum/4pce PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4pce 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=4pce FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pce OCA], [https://pdbe.org/4pce PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4pce RCSB], [https://www.ebi.ac.uk/pdbsum/4pce PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4pce ProSAT]</span></td></tr>
	</table>		</table>

OCA at 12:52, 1 February 2023

OCA — Wed, 01 Feb 2023 12:52:08 GMT

←Older revision		Revision as of 12:52, 1 February 2023
Line 1:		Line 1:

	==Crystal Structure of the first bromodomain of human BRD4 in complex with compound B13==		==Crystal Structure of the first bromodomain of human BRD4 in complex with compound B13==
-	<StructureSection load='4pce' size='340' side='right' caption='[[4pce]], [[Resolution\|resolution]] 1.29Å' scene=''>	+	<StructureSection load='4pce' size='340' side='right'caption='[[4pce]], [[Resolution\|resolution]] 1.29Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4pce]] 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=4PCE OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4PCE FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4pce]] 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=4PCE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4PCE FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2N0:1-BENZYL-2-ETHYL-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE'>2N0</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=2N0:1-BENZYL-2-ETHYL-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE'>2N0</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">[[4pci\|4pci]]</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=4pce FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pce OCA], [https://pdbe.org/4pce PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4pce RCSB], [https://www.ebi.ac.uk/pdbsum/4pce PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4pce 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=4pce FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pce OCA], [~~http~~://pdbe.org/4pce PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4pce RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4pce PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4pce 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 22:		Line 20:
	</div>		</div>
	<div class="pdbe-citations 4pce" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4pce" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Bromodomain-containing protein 3D structures\|Bromodomain-containing protein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
-	[[Category: ~~Caflisch, A~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Dong, J~~]]	+	[[Category: Caflisch A]]
-	[[Category: ~~Transcription-transcription inhibitor complex~~]]	+	[[Category: Dong J]]

OCA at 08:37, 22 November 2017

OCA — Wed, 22 Nov 2017 08:37:35 GMT

←Older revision		Revision as of 08:37, 22 November 2017
Line 3:		Line 3:
	<StructureSection load='4pce' size='340' side='right' caption='[[4pce]], [[Resolution\|resolution]] 1.29Å' scene=''>		<StructureSection load='4pce' size='340' side='right' caption='[[4pce]], [[Resolution\|resolution]] 1.29Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4pce]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4PCE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4PCE FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4pce]] 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=4PCE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4PCE FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2N0:1-BENZYL-2-ETHYL-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE'>2N0</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=2N0:1-BENZYL-2-ETHYL-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE'>2N0</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">[[4pci\|4pci]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4pci\|4pci]]</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=4pce FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pce OCA], [http://pdbe.org/4pce PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4pce RCSB], [http://www.ebi.ac.uk/pdbsum/4pce PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4pce ProSAT]</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=4pce FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pce OCA], [http://pdbe.org/4pce PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4pce RCSB], [http://www.ebi.ac.uk/pdbsum/4pce PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4pce ProSAT]</span></td></tr>
	</table>		</table>
Line 21:		Line 22:
	</div>		</div>
	<div class="pdbe-citations 4pce" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4pce" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Bromodomain-containing protein\|Bromodomain-containing protein]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Caflisch, A]]		[[Category: Caflisch, A]]
	[[Category: Dong, J]]		[[Category: Dong, J]]
	[[Category: Transcription-transcription inhibitor complex]]		[[Category: Transcription-transcription inhibitor complex]]

OCA at 19:31, 11 August 2016

OCA — Thu, 11 Aug 2016 19:31:45 GMT

←Older revision		Revision as of 19:31, 11 August 2016
Line 1:		Line 1:
		+
	==Crystal Structure of the first bromodomain of human BRD4 in complex with compound B13==		==Crystal Structure of the first bromodomain of human BRD4 in complex with compound B13==
	<StructureSection load='4pce' size='340' side='right' caption='[[4pce]], [[Resolution\|resolution]] 1.29Å' scene=''>		<StructureSection load='4pce' size='340' side='right' caption='[[4pce]], [[Resolution\|resolution]] 1.29Å' scene=''>
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2N0:1-BENZYL-2-ETHYL-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE'>2N0</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=2N0:1-BENZYL-2-ETHYL-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE'>2N0</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">[[4pci\|4pci]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4pci\|4pci]]</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=4pce FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pce OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4pce RCSB], [http://www.ebi.ac.uk/pdbsum/4pce 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=4pce FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pce OCA], [http://pdbe.org/4pce PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4pce RCSB], [http://www.ebi.ac.uk/pdbsum/4pce PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4pce ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
Line 19:		Line 20:
	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 4pce" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Bromodomain-containing protein\|Bromodomain-containing protein]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 09:52, 5 January 2015

OCA — Mon, 05 Jan 2015 09:52:32 GMT

←Older revision		Revision as of 09:52, 5 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4pce]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4PCE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4PCE FirstGlance]. <br>		<table><tr><td colspan='2'>[[4pce]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4PCE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4PCE FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2N0:1-BENZYL-2-ETHYL-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE'>2N0</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2N0:1-BENZYL-2-ETHYL-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE'>2N0</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4pci\|4pci]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4pci\|4pci]]</td></tr>
-	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4pce FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pce OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4pce RCSB], [http://www.ebi.ac.uk/pdbsum/4pce 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=4pce FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pce OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4pce RCSB], [http://www.ebi.ac.uk/pdbsum/4pce PDBsum]</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>		[[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>
Line 23:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Caflisch, A.]]	+	[[Category: Caflisch, A]]
-	[[Category: Dong, J.]]	+	[[Category: Dong, J]]
	[[Category: Transcription-transcription inhibitor complex]]		[[Category: Transcription-transcription inhibitor complex]]

OCA at 07:22, 11 June 2014

OCA — Wed, 11 Jun 2014 07:22:32 GMT

←Older revision		Revision as of 07:22, 11 June 2014
Line 17:		Line 17:
	Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.,Zhao H, Gartenmann L, Dong J, Spiliotopoulos D, Caflisch A Bioorg Med Chem Lett. 2014 Jun 1;24(11):2493-6. doi: 10.1016/j.bmcl.2014.04.017. , Epub 2014 Apr 13. PMID:24767840<ref>PMID:24767840</ref>		Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.,Zhao H, Gartenmann L, Dong J, Spiliotopoulos D, Caflisch A Bioorg Med Chem Lett. 2014 Jun 1;24(11):2493-6. doi: 10.1016/j.bmcl.2014.04.017. , Epub 2014 Apr 13. PMID:24767840<ref>PMID:24767840</ref>

-	From ~~MEDLINEÂ®~~/~~PubMedÂ®~~, 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>
	== References ==		== References ==

OCA at 04:45, 4 June 2014

OCA — Wed, 04 Jun 2014 04:45:50 GMT

←Older revision		Revision as of 04:45, 4 June 2014
Line 11:		Line 11:
	== Function ==		== 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 ==
		+	Bromodomains (BRDs) recognize acetyl-lysine modified histone tails mediating epigenetic processes. BRD4, a protein containing two bromodomains, has emerged as an attractive therapeutic target for several types of cancer as well as inflammatory diseases. Using a fragment-based in silico screening approach, we identified two small molecules that bind to the first bromodomain of BRD4 with low-micromolar affinity and favorable ligand efficiency (0.37kcal/mol per non-hydrogen atom), selectively over other families of bromodomains. Notably, the hit rate of the fragment-based in silico approach is about 10% as only 24 putative inhibitors, from an initial library of about 9 million molecules, were tested in vitro.
		+
		+	Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.,Zhao H, Gartenmann L, Dong J, Spiliotopoulos D, Caflisch A Bioorg Med Chem Lett. 2014 Jun 1;24(11):2493-6. doi: 10.1016/j.bmcl.2014.04.017. , Epub 2014 Apr 13. PMID:24767840<ref>PMID:24767840</ref>
		+
		+	From MEDLINEÂ®/PubMedÂ®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 07:08, 21 May 2014

OCA — Wed, 21 May 2014 07:08:27 GMT

←Older revision		Revision as of 07:08, 21 May 2014
Line 2:		Line 2:
	<StructureSection load='4pce' size='340' side='right' caption='[[4pce]], [[Resolution\|resolution]] 1.29Å' scene=''>		<StructureSection load='4pce' size='340' side='right' caption='[[4pce]], [[Resolution\|resolution]] 1.29Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4pce]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4PCE OCA]. <br>	+	<table><tr><td colspan='2'>[[4pce]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4PCE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4PCE FirstGlance]. <br>
	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2N0:1-BENZYL-2-ETHYL-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE'>2N0</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene><br>		</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2N0:1-BENZYL-2-ETHYL-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE'>2N0</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene><br>
	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4pci\|4pci]]</td></tr>		<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4pci\|4pci]]</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span></td></tr>
	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4pce FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pce OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4pce RCSB], [http://www.ebi.ac.uk/pdbsum/4pce PDBsum]</span></td></tr>		<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4pce FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pce OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4pce RCSB], [http://www.ebi.ac.uk/pdbsum/4pce PDBsum]</span></td></tr>
	<table>		<table>

OCA at 08:23, 7 May 2014

OCA — Wed, 07 May 2014 08:23:49 GMT

←Older revision		Revision as of 08:23, 7 May 2014
Line 1:		Line 1:
-	'''~~Unreleased structure~~'''	+	==Crystal Structure of the first bromodomain of human BRD4 in complex with compound B13==
-		+	<StructureSection load='4pce' size='340' side='right' caption='[[4pce]], [[Resolution\|resolution]] 1.29Å' scene=''>
-	~~The entry~~ 4pce is ~~ON HOLD~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[4pce]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4PCE OCA]. <br>
-	~~Authors~~: ~~Dong~~, J., ~~Caflisch~~, A.	+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2N0:1-BENZYL-2-ETHYL-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE'>2N0</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene><br>
-		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4pci\|4pci]]</td></tr>
-	~~Description~~: ~~Crystal Structure~~ of ~~the first bromodomain of human~~ BRD4 in complex ~~with compound B13~~	+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span></td></tr>
		+	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4pce FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pce OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4pce RCSB], [http://www.ebi.ac.uk/pdbsum/4pce 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).
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Caflisch, A.]]
		+	[[Category: Dong, J.]]
		+	[[Category: Transcription-transcription inhibitor complex]]

OCA: Protected "4pce" [edit=sysop:move=sysop]

OCA — Wed, 23 Apr 2014 07:25:43 GMT

Protected "4pce" [edit=sysop:move=sysop]

←Older revision

Revision as of 07:25, 23 April 2014