5luu

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'''Unreleased structure'''
 
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The entry 5luu is ON HOLD
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==Structure of the first bromodomain of BRD4 with a pyrazolo[4,3-c]pyridin fragment==
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<StructureSection load='5luu' size='340' side='right'caption='[[5luu]], [[Resolution|resolution]] 1.61&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[5luu]] 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=5LUU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5LUU FirstGlance]. <br>
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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]] 1.61&#8491;</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=77X:1-(3-PHENYL-1,4,6,7-TETRAHYDROPYRAZOLO[4,3-C]PYRIDIN-5-YL)PROPAN-1-ONE'>77X</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></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=5luu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5luu OCA], [https://pdbe.org/5luu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5luu RCSB], [https://www.ebi.ac.uk/pdbsum/5luu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5luu ProSAT]</span></td></tr>
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</table>
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== Disease ==
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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>
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== Function ==
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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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The discovery of novel bromodomain inhibitors by fragment screening is complicated by the presence of dimethyl sulfoxide (DMSO), an acetyl-lysine mimetic, that can compromise the detection of low affinity fragments. We demonstrate surface plasmon resonance as a primary fragment screening approach for the discovery of novel bromodomain scaffolds, by describing a protocol to overcome the DMSO interference issue. We describe the discovery of several novel small molecules scaffolds that inhibit the bromodomains PCAF, BRD4, and CREBBP, representing canonical members of three out of the seven subfamilies of bromodomains. High-resolution crystal structures of the complexes of key fragments binding to BRD4(1), CREBBP, and PCAF were determined to provide binding mode data to aid the development of potent and selective inhibitors of PCAF, CREBBP, and BRD4.
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Authors: Filippakopoulos, P., Picaud, S., Knapp, S., von Delft, F., Bountra, C., Arrowsmith, C.H., Edwards, A., Structural Genomics Consortium (SGC)
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Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening.,Navratilova I, Aristotelous T, Picaud S, Chaikuad A, Knapp S, Filappakopoulos P, Hopkins AL ACS Med Chem Lett. 2016 Sep 20;7(12):1213-1218. eCollection 2016 Dec 8. PMID:27994766<ref>PMID:27994766</ref>
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Description: Structure of the first bromodomain of BRD4 with a pyrazolo[4,3-c]pyridin fragment
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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[[Category: Picaud, S]]
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<div class="pdbe-citations 5luu" style="background-color:#fffaf0;"></div>
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[[Category: Knapp, S]]
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[[Category: Bountra, C]]
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==See Also==
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[[Category: Arrowsmith, C.H]]
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*[[Bromodomain-containing protein 3D structures|Bromodomain-containing protein 3D structures]]
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[[Category: Von Delft, F]]
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== References ==
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[[Category: Filippakopoulos, P]]
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<references/>
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[[Category: Structural Genomics Consortium (Sgc)]]
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__TOC__
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[[Category: Edwards, A]]
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</StructureSection>
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[[Category: Homo sapiens]]
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[[Category: Large Structures]]
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[[Category: Arrowsmith CH]]
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[[Category: Bountra C]]
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[[Category: Edwards A]]
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[[Category: Filippakopoulos P]]
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[[Category: Knapp S]]
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[[Category: Picaud S]]
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[[Category: Von Delft F]]

Current revision

Structure of the first bromodomain of BRD4 with a pyrazolo[4,3-c]pyridin fragment

PDB ID 5luu

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