3VEU
Crystal Structure of Human Beta Secretase in Complex with NVP-AVI326
Summary for 3VEU
Entry DOI | 10.2210/pdb3veu/pdb |
Related | 3VF3 3VG1 4D83 4D85 4D88 4D89 4D8C |
Descriptor | Beta-secretase 1, (2S)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(propan-2-yl)benzyl]amino}butan-2-yl]-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]non-7-yl]propanamide (3 entities in total) |
Functional Keywords | structure-based drug design, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Homo sapiens (human) |
Cellular location | Membrane; Single-pass type I membrane protein: P56817 |
Total number of polymer chains | 1 |
Total formula weight | 45326.10 |
Authors | |
Primary citation | Rueeger, H.,Lueoend, R.,Rogel, O.,Rondeau, J.M.,Mobitz, H.,Machauer, R.,Jacobson, L.,Staufenbiel, M.,Desrayaud, S.,Neumann, U. Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides J.Med.Chem., 55:3364-3386, 2012 Cited by PubMed: 22380629DOI: 10.1021/jm300069y PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.52 Å) |
Structure validation
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