7MRD

Crystal structure of the first bromodomain (BD1) of human BRDT bound to GXH-II-082

Summary for 7MRD

Entry DOI	10.2210/pdb7mrd/pdb
Descriptor	Bromodomain testis-specific protein, N,N'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)di(piperidine-1,4-diyl)]bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide} (3 entities in total)
Functional Keywords	brdt, brd, bet, gene regulation, contraceptive, cancer
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	28077.22
Authors	Chan, A.,Schonbrunn, E. (deposition date: 2021-05-07, release date: 2022-05-18, Last modification date: 2023-10-18)
Primary citation	Guan, X.,Cheryala, N.,Karim, R.M.,Chan, A.,Berndt, N.,Qi, J.,Georg, G.I.,Schonbrunn, E. Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity. J.Med.Chem., 65:10441-10458, 2022 Cited by PubMed: 35867655 DOI: 10.1021/acs.jmedchem.2c00453 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.39 Å)

Structure validation