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: 2024-10-16) |
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) |
Structure validation
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