5HU1

BACE1 in complex with (R)-N-(3-(3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl)-5-fluoropicolinamide

5HU1 の概要

• エントリーDOI: 10.2210/pdb5hu1/pdb
• 関連するPDBエントリー: 5HTZ 5HU0
• 分子名称: Beta-secretase 1, N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide (3 entities in total)
• 機能のキーワード: alzheimer's, aspartyl protease, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Membrane; Single-pass type I membrane protein: P56817
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 92777.98

構造登録者

Orth, P. (登録日: 2016-01-27, 公開日: 2016-11-09, 最終更新日: 2017-01-04)

• 主引用文献: Scott, J.D.,Li, S.W.,Brunskill, A.P.,Chen, X.,Cox, K.,Cumming, J.N.,Forman, M.,Gilbert, E.J.,Hodgson, R.A.,Hyde, L.A.,Jiang, Q.,Iserloh, U.,Kazakevich, I.,Kuvelkar, R.,Mei, H.,Meredith, J.,Misiaszek, J.,Orth, P.,Rossiter, L.M.,Slater, M.,Stone, J.,Strickland, C.O.,Voigt, J.H.,Wang, G.,Wang, H.,Wu, Y.,Greenlee, W.J.,Parker, E.M.,Kennedy, M.E.,Stamford, A.W.; Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease.; J. Med. Chem., 59:10435-10450, 2016; PubMed: 27933948; DOI: 10.1021/acs.jmedchem.6b00307

実験手法

X-RAY DIFFRACTION (1.5 Å)