7DCZ

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

7DCZ の概要

• エントリーDOI: 10.2210/pdb7dcz/pdb
• 分子名称: Beta-secretase 1, IODIDE ION, GLYCEROL, ... (5 entities in total)
• 機能のキーワード: bace1, 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: 47360.15

構造登録者

Koriyama, Y.,Hori, A.,Ito, H.,Yonezawa, S.,Baba, Y.,Tanimoto, N.,Ueno, T.,Yamamoto, S.,Yamamoto, T.,Asada, N.,Morimoto, K.,Einaru, S.,Sakai, K.,Kanazu, T.,Matsuda, A.,Yamaguchi, Y.,Oguma, T.,Timmers, M.,Tritsmans, L.,Kusakabe, K.I.,Kato, A.,Sakaguchi, G. (登録日: 2020-10-27, 公開日: 2021-03-10, 最終更新日: 2023-11-29)

• 主引用文献: Koriyama, Y.,Hori, A.,Ito, H.,Yonezawa, S.,Baba, Y.,Tanimoto, N.,Ueno, T.,Yamamoto, S.,Yamamoto, T.,Asada, N.,Morimoto, K.,Einaru, S.,Sakai, K.,Kanazu, T.,Matsuda, A.,Yamaguchi, Y.,Oguma, T.,Timmers, M.,Tritsmans, L.,Kusakabe, K.I.,Kato, A.,Sakaguchi, G.; Discovery of Atabecestat (JNJ-54861911): A Thiazine-Based beta-Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor Advanced to the Phase 2b/3 EARLY Clinical Trial.; J.Med.Chem., 64:1873-1888, 2021; PubMed: 33588527; DOI: 10.1021/acs.jmedchem.0c01917

実験手法

X-RAY DIFFRACTION (2.3 Å)