6JVM

Crystal structure of human MTH1 in complex with compound MI1016

Summary for 6JVM

Entry DOI	10.2210/pdb6jvm/pdb
Descriptor	7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine (3 entities in total)
Functional Keywords	mth1, oxidative dna damage, 8-oxo-dgtp, inhibitor development, hydrolase
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	36204.29
Authors	Peng, C.,Li, Y.H.,Cheng, Y.S. (deposition date: 2019-04-17, release date: 2020-10-28, Last modification date: 2024-03-27)
Primary citation	Peng, C.,Li, Y.H.,Yu, C.W.,Cheng, Z.H.,Liu, J.R.,Hsu, J.L.,Hsin, L.W.,Huang, C.T.,Juan, H.F.,Chern, J.W.,Cheng, Y.S. Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110:104813-104813, 2021 Cited by PubMed: 33774493 DOI: 10.1016/j.bioorg.2021.104813 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.098 Å)

Structure validation