3VF3
Crystal Structure of Human Beta Secretase in Complex with NVP-BQQ711
Summary for 3VF3
Entry DOI | 10.2210/pdb3vf3/pdb |
Related | 3VEU 3VF3 3VG1 4D83 4D85 4D88 4D89 4D8C |
Descriptor | Beta-secretase 1, (3S,4S,5R)-3-(4-amino-3-bromo-5-fluorobenzyl)-5-{[3-(1,1-difluoroethyl)benzyl]amino}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide (3 entities in total) |
Functional Keywords | structure-based drug design, 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 | 45298.73 |
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 (1.48 Å) |
Structure validation
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