8G45

Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with SGC-UBD253 chemical probe

Summary for 8G45

Entry DOI	10.2210/pdb8g45/pdb
Descriptor	Histone deacetylase 6, ZINC ION, 3-[8-chloro-3-(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]propanoic acid, ... (4 entities in total)
Functional Keywords	inhibitor, chemical probe, hdac6, histone deacetylase, hydrolase, structural genomics, structural genomics consortium, sgc, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	12558.69
Authors	Harding, R.J.,Franzoni, I.,Mann, M.K.,Szewczyk, M.,Mirabi, B.,Owens, D.D.G.,Ackloo, S.,Scheremetjew, A.,Juarez-Ornelas, K.A.,Sanichar, R.,Baker, R.J.,Dank, C.,Brown, P.J.,Barsyte-Lovejoy, D.,Santhakumar, V.,Schapira, M.,Lautens, M.,Arrowsmith, C.H.,Structural Genomics Consortium (SGC) (deposition date: 2023-02-08, release date: 2023-05-03, Last modification date: 2023-08-16)
Primary citation	Harding, R.J.,Franzoni, I.,Mann, M.K.,Szewczyk, M.M.,Mirabi, B.,Ferreira de Freitas, R.,Owens, D.D.G.,Ackloo, S.,Scheremetjew, A.,Juarez-Ornelas, K.A.,Sanichar, R.,Baker, R.J.,Dank, C.,Brown, P.J.,Barsyte-Lovejoy, D.,Santhakumar, V.,Schapira, M.,Lautens, M.,Arrowsmith, C.H. Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6. J.Med.Chem., 66:10273-10288, 2023 Cited by PubMed: 37499118 DOI: 10.1021/acs.jmedchem.3c00314 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.62 Å)

Structure validation