6Q3Y
Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16i
Summary for 6Q3Y
Entry DOI | 10.2210/pdb6q3y/pdb |
Descriptor | Bromodomain-containing protein 4, 1,2-ETHANEDIOL, (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{H}-pteridin-6-one, ... (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 | 31724.63 |
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 Cited by PubMed: 30789735DOI: 10.1021/acs.jmedchem.8b01947 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.2 Å) |
Structure validation
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