7OCV
Human TNKS1 in complex with 3-[4-(1-Hydroxy-1-methyl-ethyl)-phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
Summary for 7OCV
Entry DOI | 10.2210/pdb7ocv/pdb |
Descriptor | Poly [ADP-ribose] polymerase, ACETATE ION, 6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{H}-pyrrolo[1,2-a]pyrazin-1-one, ... (5 entities in total) |
Functional Keywords | tankyrase, parp, inhibitor, transferase-transferase inhibitor, transferase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 24695.36 |
Authors | Musil, D.,Lehmann, M.,Buchstaller, H.-P. (deposition date: 2021-04-28, release date: 2021-07-28, Last modification date: 2024-01-31) |
Primary citation | Buchstaller, H.P.,Anlauf, U.,Dorsch, D.,Kogler, S.,Kuhn, D.,Lehmann, M.,Leuthner, B.,Lodholz, S.,Musil, D.,Radtki, D.,Rettig, C.,Ritzert, C.,Rohdich, F.,Schneider, R.,Wegener, A.,Weigt, S.,Wilkinson, K.,Esdar, C. Optimization of a Screening Hit toward M2912, an Oral Tankyrase Inhibitor with Antitumor Activity in Colorectal Cancer Models. J.Med.Chem., 64:10371-10392, 2021 Cited by PubMed: 34255518DOI: 10.1021/acs.jmedchem.1c00800 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.432 Å) |
Structure validation
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