6Q3Z

Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16k

Summary for 6Q3Z

• Entry DOI: 10.2210/pdb6q3z/pdb
• Descriptor: Bromodomain-containing protein 4, (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: brd4(bd1), inhibitor, complex, structural genomics, structural genomics consortium, sgc, gene regulation
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 31702.67

Authors

Heidenreich, D.,Watts, E.,Arrowsmith, C.H.,Bountra, C.,Edwards, A.M.,Knapp, S.,Hoelder, S.,Structural Genomics Consortium (SGC) (deposition date: 2018-12-04, release date: 2019-03-06, Last modification date: 2024-01-24)

• Primary citation: Watts, E.,Heidenreich, D.,Tucker, E.,Raab, M.,Strebhardt, K.,Chesler, L.,Knapp, S.,Bellenie, B.,Hoelder, S.; Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity.; J.Med.Chem., 62:2618-2637, 2019; PubMed: 30789735; DOI: 10.1021/acs.jmedchem.8b01947

Experimental method

X-RAY DIFFRACTION (2 Å)