5uew

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==BRD2 Bromodomain2 with A-1360579==
==BRD2 Bromodomain2 with A-1360579==
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<StructureSection load='5uew' size='340' side='right' caption='[[5uew]], [[Resolution|resolution]] 1.83&Aring;' scene=''>
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<StructureSection load='5uew' size='340' side='right'caption='[[5uew]], [[Resolution|resolution]] 1.83&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5uew]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5UEW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5UEW FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5uew]] 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=5UEW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5UEW 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=87D:N-[3-(4-METHOXY-1-METHYL-6-OXO-1,6-DIHYDROPYRIDIN-3-YL)-4-PHENOXYPHENYL]METHANESULFONAMIDE'>87D</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]] 1.83&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5ueu|5ueu]], [[5uf0|5uf0]], [[5uez|5uez]], [[5uey|5uey]], [[5uex|5uex]], [[5uev|5uev]], [[5uep|5uep]], [[5uet|5uet]], [[5ues|5ues]], [[5uer|5uer]], [[5ueq|5ueq]], [[5ueo|5ueo]]</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=87D:N-[3-(4-METHOXY-1-METHYL-6-OXO-1,6-DIHYDROPYRIDIN-3-YL)-4-PHENOXYPHENYL]METHANESULFONAMIDE'>87D</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=5uew FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5uew OCA], [http://pdbe.org/5uew PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5uew RCSB], [http://www.ebi.ac.uk/pdbsum/5uew PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5uew 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=5uew FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5uew OCA], [https://pdbe.org/5uew PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5uew RCSB], [https://www.ebi.ac.uk/pdbsum/5uew PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5uew ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[http://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>
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[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>
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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 5uew" 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

BRD2 Bromodomain2 with A-1360579

PDB ID 5uew

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