6US3

MTH1 in complex with compound 4

Summary for 6US3

• Entry DOI: 10.2210/pdb6us3/pdb
• Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide (3 entities in total)
• Functional Keywords: hydrolase, nudt1, nudix hydrolase, inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 18545.08

Authors

Newby, Z.E.R.,Lansdon, E.B. (deposition date: 2019-10-24, release date: 2020-04-01, Last modification date: 2023-10-11)

• Primary citation: Farand, J.,Kropf, J.E.,Blomgren, P.,Xu, J.,Schmitt, A.C.,Newby, Z.E.,Wang, T.,Murakami, E.,Barauskas, O.,Sudhamsu, J.,Feng, J.Y.,Niedziela-Majka, A.,Schultz, B.E.,Schwartz, K.,Viatchenko-Karpinski, S.,Kornyeyev, D.,Kashishian, A.,Fan, P.,Chen, X.,Lansdon, E.B.,Ports, M.O.,Currie, K.S.,Watkins, W.J.,Notte, G.T.; Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.; Acs Med.Chem.Lett., 11:358-364, 2020; PubMed: 32184970; DOI: 10.1021/acsmedchemlett.9b00420

Experimental method

X-RAY DIFFRACTION (1.47028917623 Å)