8DYR
BRD4-D1 in complex with BET inhibitor
Summary for 8DYR
| Entry DOI | 10.2210/pdb8dyr/pdb |
| Descriptor | Bromodomain-containing protein 4, (4P,6P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, ... (4 entities in total) |
| Functional Keywords | bromodomain, bet inhibitor, brd4, pet radiotracer, solid tumor imaging, gene regulation |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 1 |
| Total formula weight | 15658.00 |
| Authors | Gorman, M.A.,Fitzgerald, C.G.D.,White, J.M.,Parker, M.W. (deposition date: 2022-08-04, release date: 2023-03-29, Last modification date: 2023-10-25) |
| Primary citation | Dickmann, C.G.F.,McDonald, A.F.,Huynh, N.,Rigopoulos, A.,Liu, Z.,Guo, N.,Osellame, L.D.,Gorman, M.A.,Parker, M.W.,Gan, H.K.,Scott, A.M.,Ackermann, U.,Burvenich, I.J.G.,White, J.M. Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography. Chem.Commun.(Camb.), 59:3126-3129, 2023 Cited by PubMed Abstract: Bromodomain and extraterminal (BET) proteins, a family of epigenetic regulators, have emerged as important oncology drug targets. BET proteins have not been targeted for molecular imaging of cancer. Here, we report the development of a novel molecule radiolabelled with positron emitting fluorine-18, [F]BiPET-2, and its and preclinical evaluation in glioblastoma models. PubMed: 36809538DOI: 10.1039/d2cc04813b PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.47 Å) |
Structure validation
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