7l9g - Revision history

OCA at 15:41, 18 October 2023

OCA — Wed, 18 Oct 2023 15:41:18 GMT

←Older revision		Revision as of 15:41, 18 October 2023
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	<StructureSection load='7l9g' size='340' side='right'caption='[[7l9g]], [[Resolution\|resolution]] 1.36Å' scene=''>		<StructureSection load='7l9g' size='340' side='right'caption='[[7l9g]], [[Resolution\|resolution]] 1.36Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[7l9g]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7L9G OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7L9G FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7l9g]] 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=7L9G OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7L9G FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=R78:4-{[(7R)-8-CYCLOPENTYL-7-ETHYL-5-METHYL-6-OXO-5,6,7,8-TETRAHYDROPTERIDIN-2-YL]AMINO}-3-METHOXY-N-(1-METHYLPIPERIDIN-4-YL)BENZAMIDE'>R78</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]] 1.36Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=R78:4-{[(7R)-8-CYCLOPENTYL-7-ETHYL-5-METHYL-6-OXO-5,6,7,8-TETRAHYDROPTERIDIN-2-YL]AMINO}-3-METHOXY-N-(1-METHYLPIPERIDIN-4-YL)BENZAMIDE'>R78</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=7l9g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7l9g OCA], [https://pdbe.org/7l9g PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7l9g RCSB], [https://www.ebi.ac.uk/pdbsum/7l9g PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7l9g 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=7l9g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7l9g OCA], [https://pdbe.org/7l9g PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7l9g RCSB], [https://www.ebi.ac.uk/pdbsum/7l9g PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7l9g ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== 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>	+	[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;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 18:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 7l9g" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 7l9g" 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: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bikowitz~~, M J~~]]	+	[[Category: Bikowitz MJ]]
-	[[Category: Karim~~, M R~~]]	+	[[Category: Karim MR]]
-	[[Category: Schonbrunn, E]]	+	[[Category: Schonbrunn E]]
-	~~[[Category: Bet]]~~	+
-	~~[[Category: Dual brd-kinase inhibitor]]~~	+
-	~~[[Category: Erk5]]~~	+
-	~~[[Category: Gene regulation]]~~	+
-	~~[[Category: Transcription-transcription inhibitor complex~~]]	+

OCA at 12:44, 24 November 2021

OCA — Wed, 24 Nov 2021 12:44:47 GMT

←Older revision		Revision as of 12:44, 24 November 2021
Line 1:		Line 1:

	==Crystal structure of the second bromodomain (BD2) of human BRD2 bound to BI2536==		==Crystal structure of the second bromodomain (BD2) of human BRD2 bound to BI2536==
-	<StructureSection load='7l9g' size='340' side='right'caption='[[7l9g]]' scene=''>	+	<StructureSection load='7l9g' size='340' side='right'caption='[[7l9g]], [[Resolution\|resolution]] 1.36Å' 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=7L9G OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7L9G FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7l9g]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7L9G OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7L9G FirstGlance]. <br>
-	</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=7l9g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7l9g OCA], [https://pdbe.org/7l9g PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7l9g RCSB], [https://www.ebi.ac.uk/pdbsum/7l9g PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7l9g 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=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=R78:4-{[(7R)-8-CYCLOPENTYL-7-ETHYL-5-METHYL-6-OXO-5,6,7,8-TETRAHYDROPTERIDIN-2-YL]AMINO}-3-METHOXY-N-(1-METHYLPIPERIDIN-4-YL)BENZAMIDE'>R78</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=7l9g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7l9g OCA], [https://pdbe.org/7l9g PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7l9g RCSB], [https://www.ebi.ac.uk/pdbsum/7l9g PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7l9g ProSAT]</span></td></tr>
	</table>		</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 ==
		+	BRD4 and other members of the bromodomain and extraterminal (BET) family of proteins are promising epigenetic targets for the development of novel therapeutics. Among the reported BRD4 inhibitors are dihydropteridinones and benzopyrimidodiazepinones originally designed to target the kinases PLK1, ERK5, and LRRK2. While these kinase inhibitors were identified as BRD4 inhibitors, little is known about their binding potential and structural details of interaction with the other BET bromodomains. We comprehensively characterized a series of known and newly identified dual BRD4-kinase inhibitors against all eight individual BET bromodomains. A detailed analysis of 23 novel cocrystal structures of BET-kinase inhibitor complexes in combination with direct binding assays and cell signaling studies revealed significant differences in molecular shape complementarity and inhibitory potential. Collectively, the data offer new insights into the action of kinase inhibitors across BET bromodomains, which may aid the development of drugs to inhibit certain BET proteins and kinases differentially.
		+
		+	Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.,Karim RM, Bikowitz MJ, Chan A, Zhu JY, Grassie D, Becker A, Berndt N, Gunawan S, Lawrence NJ, Schonbrunn E J Med Chem. 2021 Nov 11;64(21):15772-15786. doi: 10.1021/acs.jmedchem.1c01096., Epub 2021 Oct 28. PMID:34710325<ref>PMID:34710325</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7l9g" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bikowitz MJ]]	+	[[Category: Bikowitz, M J]]
-	[[Category: Karim MR]]	+	[[Category: Karim, M R]]
-	[[Category: Schonbrunn E]]	+	[[Category: Schonbrunn, E]]
		+	[[Category: Bet]]
		+	[[Category: Dual brd-kinase inhibitor]]
		+	[[Category: Erk5]]
		+	[[Category: Gene regulation]]
		+	[[Category: Transcription-transcription inhibitor complex]]

OCA at 13:36, 17 November 2021

OCA — Wed, 17 Nov 2021 13:36:43 GMT

←Older revision		Revision as of 13:36, 17 November 2021
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 7l9g ~~is ON HOLD until Dec 04 2022~~	+	==Crystal structure of the second bromodomain (BD2) of human BRD2 bound to BI2536==
-		+	<StructureSection load='7l9g' size='340' side='right'caption='[[7l9g]]' scene=''>
-	~~Authors~~: ~~Karim~~, M.R., ~~Bikowitz~~, M.J., ~~Schonbrunn~~, E.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7L9G OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7L9G FirstGlance]. <br>
-	~~Description: Crystal structure of the second bromodomain (BD2) of human BRD2 bound to BI2536~~	+	</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=7l9g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7l9g OCA], [https://pdbe.org/7l9g PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7l9g RCSB], [https://www.ebi.ac.uk/pdbsum/7l9g PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7l9g ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: ~~Karim, M.R~~]]	+	__TOC__
-	[[Category: ~~Schonbrunn, E~~]]	+	</StructureSection>
-	[[Category: ~~Bikowitz, M.J~~]]	+	[[Category: Large Structures]]
		+	[[Category: Bikowitz MJ]]
		+	[[Category: Karim MR]]
		+	[[Category: Schonbrunn E]]

OCA at 08:44, 14 July 2021

OCA — Wed, 14 Jul 2021 08:44:58 GMT

←Older revision		Revision as of 08:44, 14 July 2021
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7l9g is ON HOLD until ~~Jul~~ 04 2022	+	The entry 7l9g is ON HOLD until Dec 04 2022

	Authors: Karim, M.R., Bikowitz, M.J., Schonbrunn, E.		Authors: Karim, M.R., Bikowitz, M.J., Schonbrunn, E.

OCA: Protected "7l9g" [edit=sysop:move=sysop]

OCA — Wed, 10 Feb 2021 09:14:49 GMT

Protected "7l9g" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:14, 10 February 2021

OCA: New page: '''Unreleased structure''' The entry 7l9g is ON HOLD until Jul 04 2022 Authors: Karim, M.R., Bikowitz, M.J., Schonbrunn, E. Description: Crystal structure of the second bromodomain (BD...

OCA — Wed, 10 Feb 2021 09:14:47 GMT

New page: '''Unreleased structure''' The entry 7l9g is ON HOLD until Jul 04 2022 Authors: Karim, M.R., Bikowitz, M.J., Schonbrunn, E. Description: Crystal structure of the second bromodomain (BD...

New page

'''Unreleased structure'''

The entry 7l9g is ON HOLD until Jul 04 2022

Authors: Karim, M.R., Bikowitz, M.J., Schonbrunn, E.

Description: Crystal structure of the second bromodomain (BD2) of human BRD2 bound to BI2536
[[Category: Unreleased Structures]]
[[Category: Karim, M.R]]
[[Category: Schonbrunn, E]]
[[Category: Bikowitz, M.J]]