EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
ジャーナル・号・ページ	Bioorg. Chem., Vol. 110, Page 104813-104813, Year 2021
掲載日	2019年4月17日 (構造データの登録日)
著者	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.
リンク	Bioorg. Chem. / PubMed:33774493
手法	X線回折
解像度	1.73 - 2.297 Å
構造データ	PDB-6jvf: Crystal structure of human apo MTH1 手法: X-RAY DIFFRACTION / 解像度: 1.73 Å PDB-6jvg: Crystal structure of human MTH1 in complex with compound MI0639 手法: X-RAY DIFFRACTION / 解像度: 1.844 Å PDB-6jvh: Crystal structure of human MTH1 in complex with compound MI0320 手法: X-RAY DIFFRACTION / 解像度: 2.04 Å PDB-6jvi: Crystal structure of human MTH1 in complex with compound MI0861 手法: X-RAY DIFFRACTION / 解像度: 2.249 Å PDB-6jvj: Crystal structure of human MTH1 in complex with compound MI1006 手法: X-RAY DIFFRACTION / 解像度: 2.297 Å PDB-6jvk: Crystal structure of human MTH1 in complex with compound MI1012 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-6jvl: Crystal structure of human MTH1 in complex with compound MI1014 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-6jvm: Crystal structure of human MTH1 in complex with compound MI1016 手法: X-RAY DIFFRACTION / 解像度: 2.098 Å PDB-6jvn: Crystal structure of human MTH1 in complex with compound MI1020 手法: X-RAY DIFFRACTION / 解像度: 2.102 Å PDB-6jvo: Crystal structure of human MTH1 in complex with compound MI1022 手法: X-RAY DIFFRACTION / 解像度: 1.902 Å PDB-6jvp: Crystal structure of human MTH1 in complex with compound MI1024 手法: X-RAY DIFFRACTION / 解像度: 2.206 Å PDB-6jvq: Crystal structure of human MTH1 in complex with compound MI1025 手法: X-RAY DIFFRACTION / 解像度: 2.197 Å PDB-6jvr: Crystal structure of human MTH1 in complex with compound MI1026 手法: X-RAY DIFFRACTION / 解像度: 2.295 Å PDB-6jvs: Crystal structure of human MTH1 in complex with compound MI1029 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-6jvt: Crystal structure of human MTH1 in complex with compound MI1030 手法: X-RAY DIFFRACTION / 解像度: 1.801 Å
化合物	ChemComp-HOH: WATER ChemComp-95F: 5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine ChemComp-95L: 4-amino-6-fluoroquinoline-3-carbohydrazide ChemComp-95R: (4R)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-C9L: 5-ethyl-N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine ChemComp-CEU: N4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine ChemComp-CG0: N4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine ChemComp-CGX: N4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine ChemComp-CJ0: N4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine ChemComp-CJ6: N4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine ChemComp-CJ9: N4-cyclopropyl-6-piperidin-1-yl-pyrimidine-2,4-diamine ChemComp-CJF: N4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine ChemComp-CJU: N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine ChemComp-CJL: N4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine ChemComp-CJR: N4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
由来	homo sapiens (ヒト)
キーワード	HYDROLASE / MTH1 / Oxidative DNA damage / 8-oxo-dGTP / Inhibitor development