6F22

Complex between MTH1 and compound 29 (a 4-amino-2,7-diazaindole derivative)

Summary for 6F22

• Entry DOI: 10.2210/pdb6f22/pdb
• Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine, SULFATE ION, ... (4 entities in total)
• Functional Keywords: nudix, nucleotide hydrolase, inhibitor, oncology, hydrolase
• Biological source: Homo sapiens (Human)
• Cellular location: Isoform p18: Cytoplasm. Isoform p26: Cytoplasm: P36639
• Total number of polymer chains: 2
• Total formula weight: 38028.75

Authors

Viklund, J.,Talagas, A.,Tresaugues, L.,Andersson, M.,Ericsson, U.,Forsblom, R.,Ginman, T.,Hallberg, K.,Lindstrom, J.,Persson, L.,Silvander, C.,Rahm, F. (deposition date: 2017-11-23, release date: 2018-03-07, Last modification date: 2024-01-17)

• Primary citation: Rahm, F.,Viklund, J.,Tresaugues, L.,Ellermann, M.,Giese, A.,Ericsson, U.,Forsblom, R.,Ginman, T.,Gunther, J.,Hallberg, K.,Lindstrom, J.,Persson, L.B.,Silvander, C.,Talagas, A.,Diaz-Saez, L.,Fedorov, O.,Huber, K.V.M.,Panagakou, I.,Siejka, P.,Gorjanacz, M.,Bauser, M.,Andersson, M.; Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.; J. Med. Chem., 61:2533-2551, 2018; PubMed: 29485874; DOI: 10.1021/acs.jmedchem.7b01884

Experimental method

X-RAY DIFFRACTION (1.55 Å)