7RXT

Crystal of BRD4(D1) with 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine

Summary for 7RXT

Entry DOI	10.2210/pdb7rxt/pdb
Descriptor	Bromodomain-containing protein 4, 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine (3 entities in total)
Functional Keywords	brd4, gene regulation, gene regulation-inhibitor complex, gene regulation/inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	15679.84
Authors	Cui, H.,Johnson, J.A.,Shi, K.,Aihara, H.,Pomerantz, W.C.K. (deposition date: 2021-08-23, release date: 2022-01-19, Last modification date: 2023-10-18)
Primary citation	Cui, H.,Divakaran, A.,Hoell, Z.J.,Ellingson, M.O.,Scholtz, C.R.,Zahid, H.,Johnson, J.A.,Griffith, E.C.,Gee, C.T.,Lee, A.L.,Khanal, S.,Shi, K.,Aihara, H.,Shah, V.H.,Lee, R.E.,Harki, D.A.,Pomerantz, W.C.K. A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes. J.Med.Chem., 65:2342-2360, 2022 Cited by PubMed: 35007061 DOI: 10.1021/acs.jmedchem.1c01779 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.68 Å)

Structure validation