6vix - Revision history

OCA at 08:13, 11 October 2023

OCA — Wed, 11 Oct 2023 08:13:31 GMT

←Older revision		Revision as of 08:13, 11 October 2023
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	<StructureSection load='6vix' size='340' side='right'caption='[[6vix]], [[Resolution\|resolution]] 2.12Å' scene=''>		<StructureSection load='6vix' size='340' side='right'caption='[[6vix]], [[Resolution\|resolution]] 2.12Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6vix]] is a 4 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=6VIX OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6VIX FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6vix]] is a 4 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=6VIX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6VIX FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=QYV:4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide'>QYV</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]] 2.116Å</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='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=QYV:4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide'>QYV</scene></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=6vix FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vix OCA], [~~http~~://pdbe.org/6vix PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6vix RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6vix PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6vix 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=6vix FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vix OCA], [https://pdbe.org/6vix PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6vix RCSB], [https://www.ebi.ac.uk/pdbsum/6vix PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6vix 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 ==
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	</div>		</div>
	<div class="pdbe-citations 6vix" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6vix" 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: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Longenecker~~, K L~~]]	+	[[Category: Longenecker KL]]
-	[[Category: Park~~, C H~~]]	+	[[Category: Park CH]]
-	[[Category: Qiu, W]]	+	[[Category: Qiu W]]
-	~~[[Category: Bromodomain]]~~	+
-	~~[[Category: Signaling protein~~]]	+

OCA at 06:46, 10 June 2020

OCA — Wed, 10 Jun 2020 06:46:56 GMT

←Older revision		Revision as of 06:46, 10 June 2020
Line 1:		Line 1:

	==BRD4_Bromodomain2 complex with pyrrolopyridone compound 18==		==BRD4_Bromodomain2 complex with pyrrolopyridone compound 18==
-	<StructureSection load='6vix' size='340' side='right'caption='[[6vix]]' scene=''>	+	<StructureSection load='6vix' size='340' side='right'caption='[[6vix]], [[Resolution\|resolution]] 2.12Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VIX OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6VIX FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6vix]] is a 4 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=6VIX OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6VIX FirstGlance]. <br>
-	</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=6vix FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vix OCA], [http://pdbe.org/6vix PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6vix RCSB], [http://www.ebi.ac.uk/pdbsum/6vix PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6vix ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=QYV:4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide'>QYV</scene></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://proteopedia.org/fgij/fg.htm?mol=6vix FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vix OCA], [http://pdbe.org/6vix PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6vix RCSB], [http://www.ebi.ac.uk/pdbsum/6vix PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6vix ProSAT]</span></td></tr>
	</table>		</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 BET family of proteins consists of BRD2, BRD3, BRD4, and BRDt. Each protein contains two distinct bromodomains (BD1 and BD2). BET family bromodomain inhibitors under clinical development for oncology bind to each of the eight bromodomains with similar affinities. We hypothesized that it may be possible to achieve an improved therapeutic index by selectively targeting subsets of the BET bromodomains. Both BD1 and BD2 are highly conserved across family members (>70% identity), whereas BD1 and BD2 from the same protein exhibit a larger degree of divergence (~40% identity), suggesting selectivity between BD1 and BD2 of all family members would be more straightforward to achieve. Exploiting the Asp144/His437 and Ile146/Val439 sequence differences (BRD4 BD1/BD2 numbering) allowed the identification of compound 27 demonstrating greater than 100-fold selectivity for BRD4 BD2 over BRD4 BD1. Further optimization to improve BD2 selectivity and oral bioavailability resulted in the clinical development compound 46 (ABBV-744).
		+
		+	Discovery of N-ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]- 6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET bromodomain inhibitor with selectivity for the second bromodomain.,Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker KL, Qiu W, Torrent M, Kovar P, Bui M, Faivre EJ, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF J Med Chem. 2020 Apr 23. doi: 10.1021/acs.jmedchem.0c00628. PMID:32324999<ref>PMID:32324999</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6vix" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Longenecker KL]]	+	[[Category: Longenecker, K L]]
-	[[Category: Park CH]]	+	[[Category: Park, C H]]
-	[[Category: Qiu W]]	+	[[Category: Qiu, W]]
		+	[[Category: Bromodomain]]
		+	[[Category: Signaling protein]]

OCA at 06:06, 6 May 2020

OCA — Wed, 06 May 2020 06:06:42 GMT

←Older revision		Revision as of 06:06, 6 May 2020
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-	'''Unreleased structure'''

-	~~The entry~~ 6vix is ~~ON HOLD~~	+	==BRD4_Bromodomain2 complex with pyrrolopyridone compound 18==
-		+	<StructureSection load='6vix' size='340' side='right'caption='[[6vix]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VIX OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6VIX FirstGlance]. <br>
-	~~Description~~:	+	</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=6vix FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vix OCA], [http://pdbe.org/6vix PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6vix RCSB], [http://www.ebi.ac.uk/pdbsum/6vix PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6vix ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Longenecker KL]]
		+	[[Category: Park CH]]
		+	[[Category: Qiu W]]

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

OCA — Wed, 22 Jan 2020 14:33:18 GMT

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

←Older revision

Revision as of 14:33, 22 January 2020

OCA: New page: '''Unreleased structure''' The entry 6vix is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 22 Jan 2020 14:33:16 GMT

New page: '''Unreleased structure''' The entry 6vix is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6vix is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]