5NGS

Crystal structure of human MTH1 in complex with inhibitor 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-amine

Summary for 5NGS

Entry DOI	10.2210/pdb5ngs/pdb
Related	5NGR 5NGT
Descriptor	7,8-dihydro-8-oxoguanine triphosphatase, 6-(2-phenylethylsulfanyl)-7~{H}-purin-2-amine, SULFATE ION, ... (5 entities in total)
Functional Keywords	inhibitor, fragment, oxidised nucleotides, hydrolase
Biological source	Homo sapiens (Human)
Cellular location	Isoform p18: Cytoplasm. Isoform p26: Cytoplasm: P36639
Total number of polymer chains	2
Total formula weight	37973.77
Authors	Gustafsson, R.,Rudling, A.,Almlof, I.,Homan, E.,Scobie, M.,Warpman Berglund, U.,Helleday, T.,Carlsson, J.,Stenmark, P. (deposition date: 2017-03-20, release date: 2017-10-04, Last modification date: 2024-01-17)
Primary citation	Rudling, A.,Gustafsson, R.,Almlof, I.,Homan, E.,Scobie, M.,Warpman Berglund, U.,Helleday, T.,Stenmark, P.,Carlsson, J. Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space. J. Med. Chem., 60:8160-8169, 2017 Cited by PubMed: 28929756 DOI: 10.1021/acs.jmedchem.7b01006 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.85 Å)

Structure validation