5n49: Difference between revisions

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'''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]] 1.94&Aring;' scene=''>
== Structural highlights ==
<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='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.94&#8491;</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'>[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>
== Function ==
[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;">
== 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&reg;/PubMed&reg;, 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>
 
==See Also==
*[[Bromodomain-containing protein 3D structures|Bromodomain-containing protein 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Large Structures]]
[[Category: Bennett J]]
[[Category: Bouche L]]
[[Category: Christ CD]]
[[Category: Fedorov O]]
[[Category: Fernandez-Montalvan AE]]
[[Category: Haendler B]]
[[Category: Hartung IV]]
[[Category: Holton SJ]]
[[Category: Huber KVM]]
[[Category: Meier J]]
[[Category: Monteiro O]]
[[Category: Mueller S]]
[[Category: Puetter V]]
[[Category: Saez LD]]
[[Category: Siegel S]]
[[Category: Siejka P]]
[[Category: Stoeckigt D]]
[[Category: Sugawara T]]
[[Category: Tallant C]]
[[Category: Weiske J]]
[[Category: Ter Laak A]]
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