7Q6W

Crystal structure of the bromodomain of ATAD2 with triazolopyridazine (cpd 22)

Summary for 7Q6W

• Entry DOI: 10.2210/pdb7q6w/pdb
• Descriptor: ATPase family AAA domain-containing protein 2, SULFATE ION, (1R,9S)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ... (4 entities in total)
• Functional Keywords: bromodomain, epigenetics, gene regulation
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 16202.23

Authors

Patel, S.J.,Winter-Holt, J.J. (deposition date: 2021-11-09, release date: 2022-01-19, Last modification date: 2024-05-01)

• Primary citation: Winter-Holt, J.J.,Bardelle, C.,Chiarparin, E.,Dale, I.L.,Davey, P.R.J.,Davies, N.L.,Denz, C.,Fillery, S.M.,Guerot, C.M.,Han, F.,Hughes, S.J.,Kulkarni, M.,Liu, Z.,Milbradt, A.,Moss, T.A.,Niu, H.,Patel, J.,Rabow, A.A.,Schimpl, M.,Shi, J.,Sun, D.,Yang, D.,Guichard, S.; Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.; J.Med.Chem., 65:3306-3331, 2022; PubMed: 35133824; DOI: 10.1021/acs.jmedchem.1c01871

Experimental method

X-RAY DIFFRACTION (1.96 Å)