4W6E

Human Tankyrase 1 with small molecule inhibitor

Summary for 4W6E

• Entry DOI: 10.2210/pdb4w6e/pdb
• Related: 4W5S
• Descriptor: Tankyrase-1, ZINC ION, 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one, ... (4 entities in total)
• Functional Keywords: tankyrase inhibitor small molecule, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: O95271
• Total number of polymer chains: 1
• Total formula weight: 24748.47

Authors

Kazmirski, S.L.,Johannes, J.,Boriack-Sjodin, P.A.,Howard, T. (deposition date: 2014-08-20, release date: 2015-05-13, Last modification date: 2023-12-27)

• Primary citation: Johannes, J.W.,Almeida, L.,Barlaam, B.,Boriack-Sjodin, P.A.,Casella, R.,Croft, R.A.,Dishington, A.P.,Gingipalli, L.,Gu, C.,Hawkins, J.L.,Holmes, J.L.,Howard, T.,Huang, J.,Ioannidis, S.,Kazmirski, S.,Lamb, M.L.,McGuire, T.M.,Moore, J.E.,Ogg, D.,Patel, A.,Pike, K.G.,Pontz, T.,Robb, G.R.,Su, N.,Wang, H.,Wu, X.,Zhang, H.J.,Zhang, Y.,Zheng, X.,Wang, T.; Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.; Acs Med.Chem.Lett., 6:254-259, 2015; PubMed: 25815142; DOI: 10.1021/ml5003663

Experimental method

X-RAY DIFFRACTION (1.95 Å)