7dhs: Difference between revisions
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==Crystal Structure Analysis of the BRD4== | ==Crystal Structure Analysis of the BRD4== | ||
<StructureSection load='7dhs' size='340' side='right'caption='[[7dhs]]' scene=''> | <StructureSection load='7dhs' size='340' side='right'caption='[[7dhs]], [[Resolution|resolution]] 1.76Å' 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=7DHS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7DHS FirstGlance]. <br> | <table><tr><td colspan='2'>[[7dhs]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7DHS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7DHS 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=7dhs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7dhs OCA], [https://pdbe.org/7dhs PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7dhs RCSB], [https://www.ebi.ac.uk/pdbsum/7dhs PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7dhs 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=H8C:6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R)-1-phenylethyl]benzo[cd]indol-2-one'>H8C</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=7dhs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7dhs OCA], [https://pdbe.org/7dhs PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7dhs RCSB], [https://www.ebi.ac.uk/pdbsum/7dhs PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7dhs ProSAT]</span></td></tr> | |||
</table> | </table> | ||
== Disease == | |||
[[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 == | |||
[[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 == | |||
Bromodomain and extra-terminal proteins (BETs) are potential targets for the therapeutic treatment of prostate cancer (PC). Herein, we report the design, the synthesis, and a structure-activity relationship study of 6-(3,5-dimethylisoxazol-4-yl)benzo[cd]indol-2(1H)-one derivative as novel selective BET inhibitors. One representative compound, 19 (Y06014), bound to BRD4(1) in the low micromolar range and demonstrated high selectivity for BRD4(1) over other non-BET bromodomain-containing proteins. This molecule also potently inhibited cell growth, colony formation, and mRNA expression of AR-regulated genes in PC cell lines. Y06014 also shows stronger activity than the second-generation antiandrogen enzalutamide. Y06014 may serve as a new small molecule probe for further validation of BET as a molecular target for PC drug development. | |||
Y06014 is a selective BET inhibitor for the treatment of prostate cancer.,Wu TB, Xiang QP, Wang C, Wu C, Zhang C, Zhang MF, Liu ZX, Zhang Y, Xiao LJ, Xu Y Acta Pharmacol Sin. 2021 Mar 2. pii: 10.1038/s41401-021-00614-7. doi:, 10.1038/s41401-021-00614-7. PMID:33654218<ref>PMID:33654218</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 7dhs" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
[[Category: Liu Z]] | [[Category: Liu, Z]] | ||
[[Category: Wang C]] | [[Category: Wang, C]] | ||
[[Category: Wu C]] | [[Category: Wu, C]] | ||
[[Category: Wu T]] | [[Category: Wu, T]] | ||
[[Category: Xiang Q]] | [[Category: Xiang, Q]] | ||
[[Category: Xiao L]] | [[Category: Xiao, L]] | ||
[[Category: Xu Y]] | [[Category: Xu, Y]] | ||
[[Category: Zhang C]] | [[Category: Zhang, C]] | ||
[[Category: Zhang M]] | [[Category: Zhang, M]] | ||
[[Category: Zhang Y]] | [[Category: Zhang, Y]] | ||
[[Category: Brd4]] | |||
[[Category: Bromodomain]] | |||
[[Category: Structural protein]] | |||
