5uex

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==BRD4_BD2_A-1497627==
==BRD4_BD2_A-1497627==
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<StructureSection load='5uex' size='340' side='right' caption='[[5uex]], [[Resolution|resolution]] 2.29&Aring;' scene=''>
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<StructureSection load='5uex' size='340' side='right'caption='[[5uex]], [[Resolution|resolution]] 2.29&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5uex]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5UEX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5UEX FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5uex]] 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=5UEX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5UEX FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=89D:17-{[ETHYL(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}-11,13-DIFLUORO-2-METHYL-6,7,8,9-TETRAHYDRODIBENZO[4,5 7,8][1,6]DIOXACYCLODODECINO[3,2-C]PYRIDIN-3(2H)-ONE'>89D</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.29&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5uf0|5uf0]], [[5uez|5uez]], [[5uey|5uey]], [[5uev|5uev]], [[5uep|5uep]], [[5uet|5uet]], [[5ues|5ues]], [[5uer|5uer]], [[5ueq|5ueq]], [[5ueu|5ueu]], [[5ueo|5ueo]], [[5uew|5uew]]</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=89D:17-{[ETHYL(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}-11,13-DIFLUORO-2-METHYL-6,7,8,9-TETRAHYDRODIBENZO[4,5 7,8][1,6]DIOXACYCLODODECINO[3,2-C]PYRIDIN-3(2H)-ONE'>89D</scene></td></tr>
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<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=5uex FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5uex OCA], [http://pdbe.org/5uex PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5uex RCSB], [http://www.ebi.ac.uk/pdbsum/5uex PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5uex ProSAT]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5uex FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5uex OCA], [https://pdbe.org/5uex PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5uex RCSB], [https://www.ebi.ac.uk/pdbsum/5uex PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5uex ProSAT]</span></td></tr>
</table>
</table>
== Disease ==
== Disease ==
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[[http://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>
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[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 ==
== Function ==
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[[http://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN]] Plays a role in a process governing chromosomal dynamics during mitosis (By similarity).
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[https://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN] Plays a role in a process governing chromosomal dynamics during mitosis (By similarity).
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Members of the BET family of bromodomain containing proteins have been identified as potential targets for blocking proliferation in a variety of cancer cell lines. A two-dimensional NMR fragment screen for binders to the bromodomains of BRD4 identified a phenylpyridazinone fragment with a weak binding affinity (1, Ki = 160 muM). SAR investigation of fragment 1, aided by X-ray structure-based design, enabled the synthesis of potent pyridone and macrocyclic pyridone inhibitors exhibiting single digit nanomolar potency in both biochemical and cell based assays. Advanced analogs in these series exhibited high oral exposures in rodent PK studies and demonstrated significant tumor growth inhibition efficacy in mouse flank xenograft models.
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Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.,Wang L, Pratt JK, Soltwedel T, Sheppard GS, Fidanze SD, Liu D, Hasvold LA, Mantei RA, Holms JH, McClellan WJ, Wendt MD, Wada C, Frey R, Hansen TM, Hubbard R, Park CH, Li L, Magoc TJ, Albert DH, Lin X, Warder SE, Kovar P, Huang X, Wilcox D, Wang R, Rajaraman G, Petros AM, Hutchins CW, Panchal SC, Sun C, Elmore SW, Shen Y, Kati WM, McDaniel KF J Med Chem. 2017 Apr 21. doi: 10.1021/acs.jmedchem.7b00017. PMID:28368119<ref>PMID:28368119</ref>
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==See Also==
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*[[Bromodomain-containing protein 3D structures|Bromodomain-containing protein 3D structures]]
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 5uex" style="background-color:#fffaf0;"></div>
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== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Park, C H]]
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[[Category: Homo sapiens]]
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[[Category: Signaling protein-inhibitor complex]]
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[[Category: Large Structures]]
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[[Category: Park CH]]

Current revision

BRD4_BD2_A-1497627

PDB ID 5uex

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