8W13

Crystal structure of MYST acetyltransferase domain in complex with N-(1-(5-bromo-2-methoxyphenyl)-1H-1,2,3-triazol-4-yl)-2-methoxybenzenesulfonamide

Summary for 8W13

Entry DOI	10.2210/pdb8w13/pdb
Descriptor	Histone acetyltransferase KAT8, N-[(1M)-1-(5-bromo-2-methoxyphenyl)-1H-1,2,3-triazol-4-yl]-2-methoxybenzene-1-sulfonamide, 1,2-ETHANEDIOL, ... (6 entities in total)
Functional Keywords	acetyltransferase, kat8, inhibitor, transferase
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	33855.99
Authors	Chen, C.,Dou, Y.,Wang, M.,Xu, C.,Buesking, A. (deposition date: 2024-02-15, release date: 2024-09-11, Last modification date: 2024-10-23)
Primary citation	Chen, C.,Pawley, S.B.,Cote, J.M.,Carter, J.,Wang, M.,Xu, C.,Buesking, A.W. Identification of triazolyl KAT6 inhibitors via a templated fragment approach. Bioorg.Med.Chem.Lett., 113:129948-129948, 2024 Cited by PubMed Abstract: KAT6, a histone acetyltransferase from the MYST family, has emerged as an attractive oncology target due to its role in regulating genes that control cell cycle progression and cellular senescence. Amplification of the KAT6A gene has been seen among patients with worse clinical outcome in ER breast cancers. Although multiple inhibitors have been reported, no KAT6 inhibitors have been approved to date. Here, we report the fragment-based discovery of a series of N-(1-phenyl-1H-1,2,3-triazol-4-yl)benzenesulfonamide KAT6 inhibitors and early hit-to-lead efforts to improve the KAT6 potency. PubMed: 39236793 DOI: 10.1016/j.bmcl.2024.129948 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.81 Å)

Structure validation