2ZJL

Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-bromo-2,3-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide

Summary for 2ZJL

• Entry DOI: 10.2210/pdb2zjl/pdb
• Related: 2ZJH 2ZJI 2ZJJ 2ZJK 2ZJM 2ZJN
• Descriptor: Beta-secretase 1, N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide (3 entities in total)
• Functional Keywords: bace1, small-molecule inhibitor, tethering, alternative splicing, aspartyl protease, glycoprotein, hydrolase, membrane, protease, transmembrane, zymogen
• Biological source: Homo sapiens (Human)
• Cellular location: Membrane; Single-pass type I membrane protein: P56817
• Total number of polymer chains: 1
• Total formula weight: 45674.29

Authors

Randal, M.,Lam, M.B.,Lu, W.,Romanowski, M.J. (deposition date: 2008-03-07, release date: 2009-01-20, Last modification date: 2023-11-01)

• Primary citation: Yang, W.,Fucini, R.V.,Fahr, B.T.,Randal, M.,Lind, K.E.,Lam, M.B.,Lu, W.,Lu, Y.,Cary, D.R.,Romanowski, M.J.; Fragment-based discovery of novel BACE1 inhibitors using Tethering technology; To be Published,

Experimental method

X-RAY DIFFRACTION (2.1 Å)