6JVT

Crystal structure of human MTH1 in complex with compound MI1030

6JVT の概要

• エントリーDOI: 10.2210/pdb6jvt/pdb
• 分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine (3 entities in total)
• 機能のキーワード: mth1, oxidative dna damage, 8-oxo-dgtp, inhibitor development, hydrolase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 36471.58

構造登録者

Peng, C.,Li, Y.H.,Cheng, Y.S. (登録日: 2019-04-17, 公開日: 2020-10-28, 最終更新日: 2024-03-27)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (1.801 Å)