6JT3

Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide

6JT3 の概要

• エントリーDOI: 10.2210/pdb6jt3/pdb
• 分子名称: Beta-secretase 1, IODIDE ION, GLYCEROL, ... (6 entities in total)
• 機能のキーワード: gs-hbace1(43-454), hydrolase
• 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: 47242.51

構造登録者

Tadano, G.,Komano, K.,Yoshida, S.,Suzuki, S.,Nakahara, K.,Fuchino, K.,Fujimoto, K.,Matsuoka, E.,Yamamoto, T.,Asada, N.,Ito, H.,Sakaguchi, G.,Kanegawa, N.,Kido, Y.,Ando, S.,Fukushima, T.,Teisman, A.,Urmaliya, V.,Dhuyvetter, D.,Borghys, H.,Bergh, A.V.D.,Austin, N.,Gijsen, H.J.M.,Yamano, Y.,Iso, Y.,Kusakabe, K.I. (登録日: 2019-04-08, 公開日: 2019-10-30, 最終更新日: 2023-11-22)

• 主引用文献: Tadano, G.,Komano, K.,Yoshida, S.,Suzuki, S.,Nakahara, K.,Fuchino, K.,Fujimoto, K.,Matsuoka, E.,Yamamoto, T.,Asada, N.,Ito, H.,Sakaguchi, G.,Kanegawa, N.,Kido, Y.,Ando, S.,Fukushima, T.,Teisman, A.,Urmaliya, V.,Dhuyvetter, D.,Borghys, H.,Van Den Bergh, A.,Austin, N.,Gijsen, H.J.M.,Yamano, Y.,Iso, Y.,Kusakabe, K.I.; Discovery of an Extremely Potent Thiazine-Based beta-Secretase Inhibitor with Reduced Cardiovascular and Liver Toxicity at a Low Projected Human Dose.; J.Med.Chem., 62:9331-9337, 2019; PubMed: 31549838; DOI: 10.1021/acs.jmedchem.9b01140

実験手法

X-RAY DIFFRACTION (2.4 Å)