6F23

Complex between MTH1 and compound 16 (a 4-amino-7-azaindole derivative)

Summary for 6F23

Entry DOI	10.2210/pdb6f23/pdb
Descriptor	7,8-dihydro-8-oxoguanine triphosphatase, 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine, SULFATE ION, ... (5 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	38275.03
Authors	Viklund, J.,Tresaugues, L.,Talagas, A.,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 Cited by PubMed: 29485874 DOI: 10.1021/acs.jmedchem.7b01884 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.84 Å)

Structure validation