7a9u - Revision history

OCA at 07:44, 1 May 2024

OCA — Wed, 01 May 2024 07:44:00 GMT

←Older revision		Revision as of 07:44, 1 May 2024
Line 3:		Line 3:
	<StructureSection load='7a9u' size='340' side='right'caption='[[7a9u]], [[Resolution\|resolution]] 1.44Å' scene=''>		<StructureSection load='7a9u' size='340' side='right'caption='[[7a9u]], [[Resolution\|resolution]] 1.44Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[7a9u]] 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=7A9U OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=7A9U FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7a9u]] 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=7A9U OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7A9U FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=R5W:3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide'>R5W</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]] 1.444Å</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=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=R5W:3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide'>R5W</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=7a9u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7a9u OCA], [~~http~~://pdbe.org/7a9u PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=7a9u RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/7a9u PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=7a9u 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=7a9u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7a9u OCA], [https://pdbe.org/7a9u PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7a9u RCSB], [https://www.ebi.ac.uk/pdbsum/7a9u PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7a9u 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;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	Advances in genomic analyses enable the identification of new proteins that are associated with disease. To validate these targets, tool molecules are required to demonstrate that a ligand can have a disease-modifying effect. Currently, as tools are reported for only a fraction of the proteome, platforms for ligand discovery are essential to leverage insights from genomic analyses. Fragment screening offers an efficient approach to explore chemical space. Presented here is a fragment-screening platform, termed PhABits (PhotoAffinity Bits), which utilizes a library of photoreactive fragments to covalently capture fragment-protein interactions. Hits can be profiled to determine potency and the site of crosslinking, and subsequently developed as reporters in a competitive displacement assay to identify novel hit matter. The PhABit platform is envisioned to be widely applicable to novel protein targets, identifying starting points in the development of therapeutics.	+

-	A Photoaffinity-Based Fragment-Screening Platform for Efficient Identification of Protein Ligands.,Grant EK, Fallon DJ, Hann MM, Fantom KGM, Quinn C, Zappacosta F, Annan RS, Chung CW, Bamborough P, Dixon DP, Stacey P, House D, Patel VK, Tomkinson NCO, Bush JT Angew Chem Int Ed Engl. 2020 Aug 3. doi: 10.1002/anie.202008361. PMID:32745361<ref>PMID:32745361</ref>	+	==See Also==
-		+	*[[Bromodomain-containing protein 3D structures\|Bromodomain-containing protein 3D structures]]
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe~~-~~citations 7a9u" style="background~~-~~color:#fffaf0;"></div>~~	+
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Chung, C]]	+	[[Category: Chung C]]
-	~~[[Category: Antagonist]]~~	+
-	~~[[Category: Brd4]]~~	+
-	~~[[Category: Bromodomain]]~~	+
-	~~[[Category: Bromodomain containing protein 4]]~~	+
-	~~[[Category: Epigenetic reader]]~~	+
-	~~[[Category: Histone]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Transcription~~]]	+

OCA at 12:59, 16 December 2020

OCA — Wed, 16 Dec 2020 12:59:03 GMT

←Older revision		Revision as of 12:59, 16 December 2020
Line 1:		Line 1:

	==N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide==		==N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide==
-	<StructureSection load='7a9u' size='340' side='right'caption='[[7a9u]]' scene=''>	+	<StructureSection load='7a9u' size='340' side='right'caption='[[7a9u]], [[Resolution\|resolution]] 1.44Å' 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=7A9U OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=7A9U FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7a9u]] 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=7A9U OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=7A9U 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=7a9u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7a9u OCA], [http://pdbe.org/7a9u PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=7a9u RCSB], [http://www.ebi.ac.uk/pdbsum/7a9u PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=7a9u 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=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=R5W:3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide'>R5W</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=7a9u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7a9u OCA], [http://pdbe.org/7a9u PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=7a9u RCSB], [http://www.ebi.ac.uk/pdbsum/7a9u PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=7a9u 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 ==
		+	Advances in genomic analyses enable the identification of new proteins that are associated with disease. To validate these targets, tool molecules are required to demonstrate that a ligand can have a disease-modifying effect. Currently, as tools are reported for only a fraction of the proteome, platforms for ligand discovery are essential to leverage insights from genomic analyses. Fragment screening offers an efficient approach to explore chemical space. Presented here is a fragment-screening platform, termed PhABits (PhotoAffinity Bits), which utilizes a library of photoreactive fragments to covalently capture fragment-protein interactions. Hits can be profiled to determine potency and the site of crosslinking, and subsequently developed as reporters in a competitive displacement assay to identify novel hit matter. The PhABit platform is envisioned to be widely applicable to novel protein targets, identifying starting points in the development of therapeutics.
		+
		+	A Photoaffinity-Based Fragment-Screening Platform for Efficient Identification of Protein Ligands.,Grant EK, Fallon DJ, Hann MM, Fantom KGM, Quinn C, Zappacosta F, Annan RS, Chung CW, Bamborough P, Dixon DP, Stacey P, House D, Patel VK, Tomkinson NCO, Bush JT Angew Chem Int Ed Engl. 2020 Aug 3. doi: 10.1002/anie.202008361. PMID:32745361<ref>PMID:32745361</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7a9u" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Chung C]]	+	[[Category: Chung, C]]
		+	[[Category: Antagonist]]
		+	[[Category: Brd4]]
		+	[[Category: Bromodomain]]
		+	[[Category: Bromodomain containing protein 4]]
		+	[[Category: Epigenetic reader]]
		+	[[Category: Histone]]
		+	[[Category: Inhibitor]]
		+	[[Category: Transcription]]

OCA at 08:17, 21 October 2020

OCA — Wed, 21 Oct 2020 08:17:06 GMT

←Older revision		Revision as of 08:17, 21 October 2020
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry 7a9u is ON HOLD~~	+	==N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide==
-		+	<StructureSection load='7a9u' size='340' side='right'caption='[[7a9u]]' scene=''>
-	~~Authors: Chung, C.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7A9U OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=7A9U FirstGlance]. <br>
-	~~Description:~~ N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide	+	</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=7a9u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7a9u OCA], [http://pdbe.org/7a9u PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=7a9u RCSB], [http://www.ebi.ac.uk/pdbsum/7a9u PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=7a9u ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: Chung, C]]	+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Chung C]]

OCA: Protected "7a9u" [edit=sysop:move=sysop]

OCA — Wed, 09 Sep 2020 07:21:16 GMT

Protected "7a9u" [edit=sysop:move=sysop]

←Older revision

Revision as of 07:21, 9 September 2020

OCA: New page: '''Unreleased structure''' The entry 7a9u is ON HOLD Authors: Chung, C. Description: N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4...

OCA — Wed, 09 Sep 2020 07:21:14 GMT

New page: '''Unreleased structure''' The entry 7a9u is ON HOLD Authors: Chung, C. Description: N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4...

New page

'''Unreleased structure'''

The entry 7a9u is ON HOLD

Authors: Chung, C.

Description: N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
[[Category: Unreleased Structures]]
[[Category: Chung, C]]