5NHY

BAY-707 in complex with MTH1

Summary for 5NHY

• Entry DOI: 10.2210/pdb5nhy/pdb
• Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, ~{N}-ethyl-4-[(3~{S})-3-methylmorpholin-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide, 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: 38032.89

Authors

Ellermann, M.,Eheim, A.,Giese, A.,Bunse, S.,Nowak-Reppel, K.,Neuhaus, R.,Weiske, J.,Quanz, M.,Glasauer, A.,Meyer, H.,Queisser, N.,Irlbacher, H.,Bader, B.,Rahm, F.,Viklund, J.,Andersson, M.,Ericsson, U.,Ginman, T.,Forsblom, R.,Lindstrom, J.,Silvander, C.,Tresaugues, L.,Gorjanacz, M. (deposition date: 2017-03-22, release date: 2017-07-19, Last modification date: 2024-01-17)

• Primary citation: Ellermann, M.,Eheim, A.,Rahm, F.,Viklund, J.,Guenther, J.,Andersson, M.,Ericsson, U.,Forsblom, R.,Ginman, T.,Lindstrom, J.,Silvander, C.,Tresaugues, L.,Giese, A.,Bunse, S.,Neuhaus, R.,Weiske, J.,Quanz, M.,Glasauer, A.,Nowak-Reppel, K.,Bader, B.,Irlbacher, H.,Meyer, H.,Queisser, N.,Bauser, M.,Haegebarth, A.,Gorjanacz, M.; Novel Class of Potent and Cellularly Active Inhibitors Devalidates MTH1 as Broad-Spectrum Cancer Target.; ACS Chem. Biol., 12:1986-1992, 2017; PubMed: 28679043; DOI: 10.1021/acschembio.7b00370

Experimental method

X-RAY DIFFRACTION (1.72 Å)