6JT4

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

6JT4 の概要

• エントリーDOI: 10.2210/pdb6jt4/pdb
• 分子名称: Beta-secretase 1, IODIDE ION, GLYCEROL, ... (5 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: 47419.35

構造登録者

Anan, K.,Iso, Y.,Oguma, T.,Nakahara, K.,Suzuki, S.,Yamamoto, T.,Matsuoka, E.,Ito, H.,Sakaguchi, G.,Ando, S.,Morimoto, K.,Kanegawa, N.,Kido, Y.,Kawachi, T.,Fukushima, T.,Teisman, A.,Urmaliya, V.,Dhuyvetter, D.,Borghys, H.,Austin, N.,Bergh, A.V.D.,Verboven, P.,Bischoff, F.,Gijsen, H.J.M.,Yamano, Y.,Kusakabe, K.I. (登録日: 2019-04-08, 公開日: 2020-01-15, 最終更新日: 2023-11-22)

• 主引用文献: Anan, K.,Iso, Y.,Oguma, T.,Nakahara, K.,Suzuki, S.,Yamamoto, T.,Matsuoka, E.,Ito, H.,Sakaguchi, G.,Ando, S.,Morimoto, K.,Kanegawa, N.,Kido, Y.,Kawachi, T.,Fukushima, T.,Teisman, A.,Urmaliya, V.,Dhuyvetter, D.,Borghys, H.,Austin, N.,Van Den Bergh, A.,Verboven, P.,Bischoff, F.,Gijsen, H.J.M.,Yamano, Y.,Kusakabe, K.; Trifluoromethyl Dihydrothiazine-Based beta-Secretase (BACE1) Inhibitors with Robust Central beta-Amyloid Reduction and Minimal Covalent Binding Burden.; Chemmedchem, 14:1894-1910, 2019; PubMed: 31657130; DOI: 10.1002/cmdc.201900478

実験手法

X-RAY DIFFRACTION (2.2 Å)