7JSP

Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ATR kinase inhibitor AZD6738

Summary for 7JSP

Entry DOI	10.2210/pdb7jsp/pdb
Descriptor	Transcription initiation factor TFIID subunit 1, 4-(4-{1-[(R)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine, 1,2-ETHANEDIOL, ... (5 entities in total)
Functional Keywords	bromodomain, taf1, non-bet, bet, kinase inhibitor, atr, dual brd-kinase, gene regulation
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	16455.47
Authors	Karim, M.R.,Schonbrunn, E. (deposition date: 2020-08-15, release date: 2021-08-25, 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 (1.7 Å)

Structure validation