5n49 - Revision history

OCA at 18:01, 8 November 2023

2023-11-08T18:01:25Z

←Older revision		Revision as of 18:01, 8 November 2023
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	<StructureSection load='5n49' size='340' side='right'caption='[[5n49]], [[Resolution\|resolution]] 1.94Å' scene=''>		<StructureSection load='5n49' size='340' side='right'caption='[[5n49]], [[Resolution\|resolution]] 1.94Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5n49]] is a 2 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=5N49 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5N49 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5n49]] is a 2 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=5N49 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5N49 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=8LW:2~~-(1,~~3,6-TRIMETHYL-2-OXIDANYLIDENE-BENZIMIDAZOL-5-YL)BENZO~~[DE]~~ISOQUINOLINE-~~1~~,3-DIONE'>8LW</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]] 1.94Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat">~~BRD1, BRL, BRPF2 ([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=8LW:2-(1,3,6-TRIMETHYL-2-OXIDANYLIDENE-BENZIMIDAZOL-5-YL)BENZO[DE]ISOQUINOLINE-1,3-DIONE'>8LW</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=5n49 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5n49 OCA], [~~http~~://pdbe.org/5n49 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5n49 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5n49 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5n49 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=5n49 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5n49 OCA], [https://pdbe.org/5n49 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5n49 RCSB], [https://www.ebi.ac.uk/pdbsum/5n49 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5n49 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/BRD1_HUMAN BRD1_HUMAN]] Component of the MOZ/MORF complex which has a histone H3 acetyltransferase activity.<ref>PMID:16387653</ref> <ref>PMID:21880731</ref>	+	[https://www.uniprot.org/uniprot/BRD1_HUMAN BRD1_HUMAN] Component of the MOZ/MORF complex which has a histone H3 acetyltransferase activity.<ref>PMID:16387653</ref> <ref>PMID:21880731</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 26:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bennett, J]]	+	[[Category: Bennett J]]
-	[[Category: Bouche, L]]	+	[[Category: Bouche L]]
-	[[Category: Christ~~, C D~~]]	+	[[Category: Christ CD]]
-	[[Category: Fedorov, O]]	+	[[Category: Fedorov O]]
-	[[Category: Fernandez-Montalvan~~, A E~~]]	+	[[Category: Fernandez-Montalvan AE]]
-	[[Category: Haendler, B]]	+	[[Category: Haendler B]]
-	[[Category: Hartung~~, I V~~]]	+	[[Category: Hartung IV]]
-	[[Category: Holton~~, S J~~]]	+	[[Category: Holton SJ]]
-	[[Category: Huber~~, K V.M]]~~	+	[[Category: Huber KVM]]
-	~~[[Category: Laak, A ter~~]]	+	[[Category: Meier J]]
-	[[Category: Meier, J]]	+	[[Category: Monteiro O]]
-	[[Category: Monteiro, O]]	+	[[Category: Mueller S]]
-	[[Category: Mueller, S]]	+	[[Category: Puetter V]]
-	[[Category: Puetter, V]]	+	[[Category: Saez LD]]
-	[[Category: Saez~~, L D~~]]	+	[[Category: Siegel S]]
-	[[Category: Siegel, S]]	+	[[Category: Siejka P]]
-	[[Category: Siejka, P]]	+	[[Category: Stoeckigt D]]
-	[[Category: Stoeckigt, D]]	+	[[Category: Sugawara T]]
-	[[Category: Sugawara, T]]	+	[[Category: Tallant C]]
-	[[Category: Tallant, C]]	+	[[Category: Weiske J]]
-	[[Category: Weiske, J]]	+	[[Category: Ter Laak A]]
-	[[Category: ~~Bromodomain]]~~	+
-	~~[[Category: Chemical probe]]~~	+
-	~~[[Category: Transcription~~]]	+

OCA at 11:57, 26 August 2020

2020-08-26T11:57:12Z

←Older revision		Revision as of 11:57, 26 August 2020
Line 1:		Line 1:

	==BRPF2 in complex with Compound 7==		==BRPF2 in complex with Compound 7==
-	<StructureSection load='5n49' size='340' side='right' caption='[[5n49]], [[Resolution\|resolution]] 1.94Å' scene=''>	+	<StructureSection load='5n49' size='340' side='right'caption='[[5n49]], [[Resolution\|resolution]] 1.94Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5n49]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5N49 OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5N49 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5n49]] is a 2 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=5N49 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5N49 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8LW:2-(1,3,6-TRIMETHYL-2-OXIDANYLIDENE-BENZIMIDAZOL-5-YL)BENZO[DE]ISOQUINOLINE-1,3-DIONE'>8LW</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=8LW:2-(1,3,6-TRIMETHYL-2-OXIDANYLIDENE-BENZIMIDAZOL-5-YL)BENZO[DE]ISOQUINOLINE-1,3-DIONE'>8LW</scene></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=5n49 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5n49 OCA], [http://pdbe.org/5n49 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5n49 RCSB], [http://www.ebi.ac.uk/pdbsum/5n49 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5n49 ProSAT]</span></td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BRD1, BRL, BRPF2 ([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=5n49 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5n49 OCA], [http://pdbe.org/5n49 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5n49 RCSB], [http://www.ebi.ac.uk/pdbsum/5n49 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5n49 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 5n49" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5n49" 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: Large Structures]]
	[[Category: Bennett, J]]		[[Category: Bennett, J]]
	[[Category: Bouche, L]]		[[Category: Bouche, L]]

OCA at 13:04, 4 May 2017

2017-05-04T13:04:34Z

←Older revision		Revision as of 13:04, 4 May 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5n49 is ~~ON HOLD~~ ~~until Paper~~ Publication	+	==BRPF2 in complex with Compound 7==
		+	<StructureSection load='5n49' size='340' side='right' caption='[[5n49]], [[Resolution\|resolution]] 1.94Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5n49]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5N49 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5N49 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8LW:2-(1,3,6-TRIMETHYL-2-OXIDANYLIDENE-BENZIMIDAZOL-5-YL)BENZO[DE]ISOQUINOLINE-1,3-DIONE'>8LW</scene></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=5n49 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5n49 OCA], [http://pdbe.org/5n49 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5n49 RCSB], [http://www.ebi.ac.uk/pdbsum/5n49 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5n49 ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/BRD1_HUMAN BRD1_HUMAN]] Component of the MOZ/MORF complex which has a histone H3 acetyltransferase activity.<ref>PMID:16387653</ref> <ref>PMID:21880731</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Bromodomains (BD) are readers of lysine acetylation marks present in numerous proteins associated with chromatin. Here we describe a dual inhibitor of the bromodomain and PHD finger (BRPF) family member BRPF2 and the TATA box binding protein-associated factors TAF1 and TAF1L. These proteins are found in large chromatin complexes and play important roles in transcription regulation. The substituted benzoisoquinolinedione series was identified by high-throughput screening, and subsequent structure-activity relationship optimization allowed generation of low nanomolar BRPF2 BD inhibitors with strong selectivity against BRPF1 and BRPF3 BDs. In addition, a strong inhibition of TAF1/TAF1L BD2 was measured for most derivatives. The best compound of the series was BAY-299, which is a very potent, dual inhibitor with an IC50 of 67 nM for BRPF2 BD, 8 nM for TAF1 BD2, and 106 nM for TAF1L BD2. Importantly, no activity was measured for BRD4 BDs. Furthermore, cellular activity was evidenced using a BRPF2- or TAF1-histone H3.3 or H4 interaction assay.

-	~~Authors~~:	+	Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.,Bouche L, Christ CD, Siegel S, Fernandez-Montalvan AE, Holton SJ, Fedorov O, Ter Laak A, Sugawara T, Stockigt D, Tallant C, Bennett J, Monteiro O, Diaz-Saez L, Siejka P, Meier J, Putter V, Weiske J, Muller S, Huber KVM, Hartung IV, Haendler B J Med Chem. 2017 May 1. doi: 10.1021/acs.jmedchem.7b00306. PMID:28402630<ref>PMID:28402630</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 5n49" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Bennett, J]]
		+	[[Category: Bouche, L]]
		+	[[Category: Christ, C D]]
		+	[[Category: Fedorov, O]]
		+	[[Category: Fernandez-Montalvan, A E]]
		+	[[Category: Haendler, B]]
		+	[[Category: Hartung, I V]]
		+	[[Category: Holton, S J]]
		+	[[Category: Huber, K V.M]]
		+	[[Category: Laak, A ter]]
		+	[[Category: Meier, J]]
		+	[[Category: Monteiro, O]]
		+	[[Category: Mueller, S]]
		+	[[Category: Puetter, V]]
		+	[[Category: Saez, L D]]
		+	[[Category: Siegel, S]]
		+	[[Category: Siejka, P]]
		+	[[Category: Stoeckigt, D]]
		+	[[Category: Sugawara, T]]
		+	[[Category: Tallant, C]]
		+	[[Category: Weiske, J]]
		+	[[Category: Bromodomain]]
		+	[[Category: Chemical probe]]
		+	[[Category: Transcription]]

OCA: Protected "5n49" [edit=sysop:move=sysop]

2017-03-09T12:02:15Z

Protected "5n49" [edit=sysop:move=sysop]

←Older revision

Revision as of 12:02, 9 March 2017

OCA: New page: '''Unreleased structure''' The entry 5n49 is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

2017-03-09T12:02:14Z

New page: '''Unreleased structure''' The entry 5n49 is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 5n49 is ON HOLD until Paper Publication

Authors:

Description:
[[Category: Unreleased Structures]]