8CJO

Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-004

8CJO の概要

• エントリーDOI: 10.2210/pdb8cjo/pdb
• 分子名称: Tryptophan 5-hydroxylase 1, FE (III) ION, 1-[(3~{S})-3-(4-chloranyl-2-fluoranyl-phenyl)-1,4,8-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),8-dien-4-yl]-2-(2-ethyl-6-methyl-pyridin-3-yl)oxy-ethanone, ... (4 entities in total)
• 機能のキーワード: catalytic domain of human tryptophan hydroxylase 1 (tph1), inhibitor complex, metal binding protein
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 37963.43

構造登録者

Schuetz, A.,Mallow, K.,Nazare, M.,Specker, E.,Heinemann, U. (登録日: 2023-02-13, 公開日: 2024-01-10)

• 主引用文献: Specker, E.,Wesolowski, R.,Schutz, A.,Matthes, S.,Mallow, K.,Wasinska-Kalwa, M.,Winkler, L.,Oder, A.,Alenina, N.,Pleimes, D.,von Kries, J.P.,Heinemann, U.,Bader, M.,Nazare, M.; Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.; J.Med.Chem., 66:14866-14896, 2023; PubMed: 37905925; DOI: 10.1021/acs.jmedchem.3c01454

実験手法

X-RAY DIFFRACTION (1.86633703305 Å)