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: 34255518 DOI: 10.1021/acs.jmedchem.1c00800 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.432 Å)

Structure validation