7JJG

Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ATR kinase inhibitor AZ20

Summary for 7JJG

Entry DOI	10.2210/pdb7jjg/pdb
Descriptor	Transcription initiation factor TFIID subunit 1, 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole, 1,2-ETHANEDIOL, ... (5 entities in total)
Functional Keywords	bromodomain, taf1, non-bet, bet, kinase inhibitor, atr, dual brd-kinase, transferase-transferase inhibitor complex, gene regulation
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	16449.48
Authors	Karim, M.R.,Schonbrunn, E. (deposition date: 2020-07-25, release date: 2021-07-28, Last modification date: 2023-10-18)
Primary citation	Karim, R.M.,Yang, L.,Chen, L.,Bikowitz, M.J.,Lu, J.,Grassie, D.,Shultz, Z.P.,Lopchuk, J.M.,Chen, J.,Schonbrunn, E. Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain. J.Med.Chem., 65:4182-4200, 2022 Cited by PubMed: 35191694 DOI: 10.1021/acs.jmedchem.1c01999 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.6 Å)

Structure validation