OCA at 10:23, 22 November 2023

OCA — Wed, 22 Nov 2023 10:23:17 GMT

←Older revision		Revision as of 10:23, 22 November 2023
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-	'''Unreleased structure'''

-	~~The entry~~ 6k04 is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of BRD2(BD2)with ligand BY27 bound==
		+	<StructureSection load='6k04' size='340' side='right'caption='[[6k04]], [[Resolution\|resolution]] 1.25Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6k04]] 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=6K04 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6K04 FirstGlance]. <br>
		+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 1.251Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CQF:(6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine'>CQF</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=6k04 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6k04 OCA], [https://pdbe.org/6k04 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6k04 RCSB], [https://www.ebi.ac.uk/pdbsum/6k04 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6k04 ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/BRD2_HUMAN BRD2_HUMAN] May play a role in spermatogenesis or folliculogenesis (By similarity). Binds hyperacetylated chromatin and plays a role in the regulation of transcription, probably by chromatin remodeling. Regulates transcription of the CCND1 gene. Plays a role in nucleosome assembly.<ref>PMID:18406326</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Recently, selective inhibition of BET BD2 is emerging as a promising strategy for drug discovery. Despite significant progress in this area, systematic studies of selective BET BD2 inhibitors are still few. In this study, we report the discovery of a potent and selective BET BD2 inhibitor BY27 (47). Our high resolution co-crystal structures of 47/BRD2 BD1 and BD2 showed that the triazole group of 47, water molecules, H433 and N429 in BRD2 BD2 established a water-bridged H-bonding network, which is responsible for the observed selectivities. DNA microarray analysis of HepG2 cells treated with 47 or OTX015 demonstrated the transcriptome impact differences between a BET BD2 selective inhibitor and a pan BET inhibitor. In a MV4-11 mouse xenograft model, 47 caused 67% of tumor growth inhibition and was less toxic than a pan BET inhibitor 1â¯at high doses. We conclude that the improved safety profile of selective BET BD2 inhibitors warrant future studies in BET associated diseases.

-	~~Authors: Lu~~, T., Lu, W., Chen, D., Zhao, Y., ~~Luo, C~~.	+	Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.,Chen D, Lu T, Yan Z, Lu W, Zhou F, Lyu X, Xu B, Jiang H, Chen K, Luo C, Zhao Y Eur J Med Chem. 2019 Nov 15;182:111633. doi: 10.1016/j.ejmech.2019.111633. Epub , 2019 Aug 21. PMID:31461688<ref>PMID:31461688</ref>

-	~~Description: Crystal structure~~ of ~~BRD2(BD2)with ligand BY27 bound~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
-	[[Category: ~~Lu, W~~]]	+	<div class="pdbe-citations 6k04" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Luo, C~~]]	+
-	[[Category: ~~Zhao, Y~~]]	+	==See Also==
-	[[Category: ~~Chen, D~~]]	+	*[[Bromodomain-containing protein 3D structures\|Bromodomain-containing protein 3D structures]]
-	[[Category: ~~Lu, T~~]]	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Homo sapiens]]
		+	[[Category: Large Structures]]
		+	[[Category: Chen D]]
		+	[[Category: Lu T]]
		+	[[Category: Lu W]]
		+	[[Category: Luo C]]
		+	[[Category: Zhao Y]]

OCA at 04:23, 29 May 2019

OCA — Wed, 29 May 2019 04:23:13 GMT

←Older revision		Revision as of 04:23, 29 May 2019
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6k04 is ON HOLD	+	The entry 6k04 is ON HOLD until Paper Publication

	Authors: Lu, T., Lu, W., Chen, D., Zhao, Y., Luo, C.		Authors: Lu, T., Lu, W., Chen, D., Zhao, Y., Luo, C.
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	Description: Crystal structure of BRD2(BD2)with ligand BY27 bound		Description: Crystal structure of BRD2(BD2)with ligand BY27 bound
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
-	[[Category: Chen, D]]
	[[Category: Lu, W]]		[[Category: Lu, W]]
	[[Category: Luo, C]]		[[Category: Luo, C]]
-	[[Category: Lu, T]]
	[[Category: Zhao, Y]]		[[Category: Zhao, Y]]
		+	[[Category: Chen, D]]
		+	[[Category: Lu, T]]

OCA: Protected "6k04" [edit=sysop:move=sysop]

OCA — Tue, 21 May 2019 05:37:55 GMT

Protected "6k04" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:37, 21 May 2019

OCA: New page: '''Unreleased structure''' The entry 6k04 is ON HOLD Authors: Lu, T., Lu, W., Chen, D., Zhao, Y., Luo, C. Description: Crystal structure of BRD2(BD2)with ligand BY27 bound [[Category: ...

OCA — Tue, 21 May 2019 05:37:53 GMT

New page: '''Unreleased structure''' The entry 6k04 is ON HOLD Authors: Lu, T., Lu, W., Chen, D., Zhao, Y., Luo, C. Description: Crystal structure of BRD2(BD2)with ligand BY27 bound [[Category: ...

New page

'''Unreleased structure'''

The entry 6k04 is ON HOLD

Authors: Lu, T., Lu, W., Chen, D., Zhao, Y., Luo, C.

Description: Crystal structure of BRD2(BD2)with ligand BY27 bound
[[Category: Unreleased Structures]]
[[Category: Chen, D]]
[[Category: Lu, W]]
[[Category: Luo, C]]
[[Category: Lu, T]]
[[Category: Zhao, Y]]

6k04 - Revision history

OCA at 10:23, 22 November 2023

OCA at 04:23, 29 May 2019

OCA: Protected "6k04" [edit=sysop:move=sysop]

OCA: New page: '''Unreleased structure''' The entry 6k04 is ON HOLD Authors: Lu, T., Lu, W., Chen, D., Zhao, Y., Luo, C. Description: Crystal structure of BRD2(BD2)with ligand BY27 bound [[Category: ...