6epv: Difference between revisions

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-'''Unreleased structure'''
-The entry 6epv is ON HOLD  until Paper Publication
+==The ATAD2 bromodomain in complex with compound 5==
+<StructureSection load='6epv' size='340' side='right'caption='[[6epv]], [[Resolution|resolution]] 1.79&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[6epv]] 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=6EPV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6EPV 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]] 1.793&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BQT:(2~{R})-2-azanyl-~{N}-(4-oxidanylidene-6,7-dihydro-5~{H}-1,3-benzothiazol-2-yl)propanamide'>BQT</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=6epv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6epv OCA], [https://pdbe.org/6epv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6epv RCSB], [https://www.ebi.ac.uk/pdbsum/6epv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6epv ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/ATAD2_HUMAN ATAD2_HUMAN] May be a transcriptional coactivator of the nuclear receptor ESR1 required to induce the expression of a subset of estradiol target genes, such as CCND1, MYC and E2F1. May play a role in the recruitment or occupancy of CREBBP at some ESR1 target gene promoters. May be required for histone hyperacetylation. Involved in the estrogen-induced cell proliferation and cell cycle progression of breast cancer cells.<ref>PMID:17998543</ref>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Small molecule ligand binding to the ATAD2 bromodomain is investigated here through the synergistic combination of molecular dynamics and protein crystallography. A previously unexplored conformation of the binding pocket upon rearrangement of the gatekeeper residue Ile1074 has been found. Further, our investigations reveal how minor structural differences in the ligands result in binding with different plasticity of the ZA loop for this difficult-to-drug bromodomain.
-Authors: Sledz, P., Caflisch, A.
+Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.,Dolbois A, Batiste L, Wiedmer L, Dong J, Brutsch M, Huang D, Deerain NM, Spiliotopoulos D, Cheng-Sanchez I, Laul E, Nevado C, Sledz P, Caflisch A ACS Med Chem Lett. 2020 Jun 30;11(8):1573-1580. doi:, 10.1021/acsmedchemlett.0c00080. eCollection 2020 Aug 13. PMID:32832026<ref>PMID:32832026</ref>
-Description: The ATAD2 bromodomain in complex with compound UZH-MA14
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
-[[Category: Caflisch, A]]
+<div class="pdbe-citations 6epv" style="background-color:#fffaf0;"></div>
-[[Category: Sledz, P]]
+==See Also==
+*[[ATPase family AAA domain-containing protein|ATPase family AAA domain-containing protein]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Homo sapiens]]
+[[Category: Large Structures]]
+[[Category: Caflisch A]]
+[[Category: Sledz P]]