5e74 | pdb_00005e74

Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH50

spinqualitylabelsall models 5e74, resolution 1.78Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 5e74 is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.783Å Ligands: 5KH Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function BAZ2B_HUMAN May play a role in transcriptional regulation interacting with ISWI. 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. 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 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Bromodomain adjacent to zinc finger 3D structures

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