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4MSG

Crystal structure of tankyrase 1 with compound 22

Summary for 4MSG
Entry DOI10.2210/pdb4msg/pdb
Related4I9I 4MSK
DescriptorTankyrase-1, ZINC ION, 3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide, ... (4 entities in total)
Functional Keywordstankyrase, parp, inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm: O95271
Total number of polymer chains2
Total formula weight51164.61
Authors
Huang, X. (deposition date: 2013-09-18, release date: 2013-12-25, Last modification date: 2024-02-28)
Primary citationHua, Z.,Bregman, H.,Buchanan, J.L.,Chakka, N.,Guzman-Perez, A.,Gunaydin, H.,Huang, X.,Gu, Y.,Berry, V.,Liu, J.,Teffera, Y.,Huang, L.,Egge, B.,Emkey, R.,Mullady, E.L.,Schneider, S.,Andrews, P.S.,Acquaviva, L.,Dovey, J.,Mishra, A.,Newcomb, J.,Saffran, D.,Serafino, R.,Strathdee, C.A.,Turci, S.M.,Stanton, M.,Wilson, C.,Dimauro, E.F.
Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56:10003-10015, 2013
Cited by
PubMed: 24294969
DOI: 10.1021/jm401317z
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.8 Å)
Structure validation

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