5e74
From Proteopedia
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==Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH50== | ==Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH50== | ||
<StructureSection load='5e74' size='340' side='right' caption='[[5e74]], [[Resolution|resolution]] 1.78Å' scene=''> | <StructureSection load='5e74' size='340' side='right' caption='[[5e74]], [[Resolution|resolution]] 1.78Å' scene=''> | ||
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5KH:N-(1-ACETYL-1H-INDOL-3-YL)-N-(5-HYDROXY-2-METHYLPHENYL)-3-(TRIFLUOROMETHYL)BENZAMIDE'>5KH</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5KH:N-(1-ACETYL-1H-INDOL-3-YL)-N-(5-HYDROXY-2-METHYLPHENYL)-3-(TRIFLUOROMETHYL)BENZAMIDE'>5KH</scene></td></tr> | ||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5e73|5e73]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5e73|5e73]]</td></tr> | ||
| - | <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=5e74 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5e74 OCA], [http://pdbe.org/5e74 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5e74 RCSB], [http://www.ebi.ac.uk/pdbsum/5e74 PDBsum]</span></td></tr> | + | <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=5e74 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5e74 OCA], [http://pdbe.org/5e74 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5e74 RCSB], [http://www.ebi.ac.uk/pdbsum/5e74 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5e74 ProSAT]</span></td></tr> |
</table> | </table> | ||
== Function == | == Function == | ||
[[http://www.uniprot.org/uniprot/BAZ2B_HUMAN BAZ2B_HUMAN]] May play a role in transcriptional regulation interacting with ISWI. | [[http://www.uniprot.org/uniprot/BAZ2B_HUMAN BAZ2B_HUMAN]] May play a role in transcriptional regulation interacting with ISWI. | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Small-molecule hits for the bromodomains of CREBBP and BAZ2B have been identified by scaffold hopping followed by docking of a set of approximately 200 compounds containing the acetyl indole scaffold. Chemical synthesis of nearly 30 derivatives has resulted in ligands of representatives of three subfamilies of human bromodomains with favorable ligand efficiency. The X-ray crystal structures of three different bromodomains (CREBBP, BAZ2B, and BRPF1b) in complex with acetyl indole derivatives reveal the influence of the gatekeeper residue on the orientation of small-molecule ligands in the acetyl lysine binding site. | ||
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| + | The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.,Unzue A, Zhao H, Lolli G, Dong J, Zhu J, Zechner M, Dolbois A, Caflisch A, Nevado C J Med Chem. 2016 Apr 14;59(7):3087-97. doi: 10.1021/acs.jmedchem.5b01757. Epub, 2016 Mar 30. PMID:26982797<ref>PMID:26982797</ref> | ||
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| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 5e74" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
Revision as of 06:28, 4 May 2017
Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH50
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