6JVI

Crystal structure of human MTH1 in complex with compound MI0861

Summary for 6JVI

• Entry DOI: 10.2210/pdb6jvi/pdb
• Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, (4R)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione, SULFATE ION, ... (4 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: 36677.67

Authors

Peng, C.,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; PubMed: 33774493; DOI: 10.1016/j.bioorg.2021.104813

Experimental method

X-RAY DIFFRACTION (2.249 Å)