6QXU
Human TNKS1 in complex with 6,8-Difluoro-2-[4-(1-hydroxy-1-methyl-ethyl)-phenyl]-3H-quinazolin-4-one
Summary for 6QXU
Entry DOI | 10.2210/pdb6qxu/pdb |
Descriptor | Poly [ADP-ribose] polymerase tankyrase-1, BETA-MERCAPTOETHANOL, 6,8-bis(fluoranyl)-2-[4-(2-oxidanylpropan-2-yl)phenyl]-3~{H}-quinazolin-4-one, ... (5 entities in total) |
Functional Keywords | tankyrase, parp, inhibitor, transferase-transferase inhibitor complex, transferase, transferase/transferase inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 24672.30 |
Authors | Musil, D.,Lehmann, D.,Buchstaller, H.-P. (deposition date: 2019-03-08, release date: 2019-08-14, Last modification date: 2024-05-01) |
Primary citation | Buchstaller, H.P.,Anlauf, U.,Dorsch, D.,Kuhn, D.,Lehmann, M.,Leuthner, B.,Musil, D.,Radtki, D.,Ritzert, C.,Rohdich, F.,Schneider, R.,Esdar, C. Discovery and Optimization of 2-Arylquinazolin-4-ones into a Potent and Selective Tankyrase Inhibitor Modulating Wnt Pathway Activity. J.Med.Chem., 62:7897-7909, 2019 Cited by PubMed: 31381853DOI: 10.1021/acs.jmedchem.9b00656 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.2 Å) |
Structure validation
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