2ZJM

Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(4-sulfamoyl-phenoxy)-acetamide

Summary for 2ZJM

• Entry DOI: 10.2210/pdb2zjm/pdb
• Related: 2ZJH 2ZJI 2ZJJ 2ZJK 2ZJL 2ZJN
• Descriptor: Beta-secretase 1, N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide (3 entities in total)
• Functional Keywords: bace, small-molecule inhibitor, fragment-based discovery, 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: 45648.79

Authors

Allison, T.J.,Pham, P.,Romanowski, M.J.,Munshi, S.K. (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 (1.9 Å)