2ZJK
Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(3-mercapto-propyl)-amide
Summary for 2ZJK
Entry DOI | 10.2210/pdb2zjk/pdb |
Related | 2ZJH 2ZJI 2ZJJ 2ZJL 2ZJM 2ZJN |
Descriptor | Beta-secretase 1, (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide (2 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 | 3 |
Total formula weight | 136657.04 |
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 (3 Å) |
Structure validation
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