6F1X

Complex between MTH1 and compound 7 (a 7-azaindole-2-amide derivative)

6F1X の概要

• エントリーDOI: 10.2210/pdb6f1x/pdb
• 分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide, SULFATE ION, ... (4 entities in total)
• 機能のキーワード: nudix, nucleotide hydrolase, inhibitor, oncology, hydrolase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Isoform p18: Cytoplasm. Isoform p26: Cytoplasm: P36639
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 37971.55

構造登録者

Viklund, J.,Talagas, A.,Tresaugues, L.,Andersson, M.,Ericsson, U.,Forsblom, R.,Ginman, T.,Hallberg, K.,Lindstrom, J.,Persson, L.,Silvander, C.,Rahm, F. (登録日: 2017-11-23, 公開日: 2018-03-07, 最終更新日: 2024-01-17)

• 主引用文献: Rahm, F.,Viklund, J.,Tresaugues, L.,Ellermann, M.,Giese, A.,Ericsson, U.,Forsblom, R.,Ginman, T.,Gunther, J.,Hallberg, K.,Lindstrom, J.,Persson, L.B.,Silvander, C.,Talagas, A.,Diaz-Saez, L.,Fedorov, O.,Huber, K.V.M.,Panagakou, I.,Siejka, P.,Gorjanacz, M.,Bauser, M.,Andersson, M.; Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.; J. Med. Chem., 61:2533-2551, 2018; PubMed: 29485874; DOI: 10.1021/acs.jmedchem.7b01884

実験手法

X-RAY DIFFRACTION (1.9 Å)