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2ZJN

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

Summary for 2ZJN
Entry DOI10.2210/pdb2zjn/pdb
Related2ZJH 2ZJI 2ZJJ 2ZJK 2ZJL 2ZJM
DescriptorBeta-secretase 1, N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide (3 entities in total)
Functional Keywordsbace1, small-molecule inhibitor, fragment-based discovery, alternative splicing, aspartyl protease, glycoprotein, hydrolase, membrane, protease, transmembrane, zymogen
Biological sourceHomo sapiens (Human)
Cellular locationMembrane; Single-pass type I membrane protein: P56817
Total number of polymer chains1
Total formula weight45778.96
Authors
Randal, M.,Lam, M.B.,Fahr, B.T.,Romanowski, M.J. (deposition date: 2008-03-07, release date: 2009-01-20, Last modification date: 2023-11-01)
Primary citationYang, 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 (2.7 Å)
Structure validation

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