6JVT
Crystal structure of human MTH1 in complex with compound MI1030
Summary for 6JVT
Entry DOI | 10.2210/pdb6jvt/pdb |
Descriptor | 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-[4-(oxetan-3-yl)piperazin-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 | 36471.58 |
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: 33774493DOI: 10.1016/j.bioorg.2021.104813 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.801 Å) |
Structure validation
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