PDB ID: 4D83
Hetero Atom Contents
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0GT | (3r,4s,5s)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1h-indol-5-yl]methyl}tetrahydro-2h-thiopyran-4-ol 1,1-dioxide | PoSSuM |
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Download interaction data: 4D83
Structure summary
Code : | 4D83 PDBj RCSB PDB PDBe | ||||||||||||
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Header : | Hydrolase/Hydrolase inhibitor | ||||||||||||
Title : | Crystal Structure of Human Beta Secretase in Complex with NVP-BUR436, derived from a co-crystallization experiment | ||||||||||||
Release Data : | 2012-11-21 | ||||||||||||
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Authors : | Rondeau, J.M., Bourgier, E. | ||||||||||||
Keywords : | Beta-Secretase, Memapsin2, Bace1, Aspartic Proteinase, Alzheimer's disease, Enzyme inhibitor complex, Structure-based drug design, Hydrolase-Hydrolase inhibitor complex | ||||||||||||
Exp. method : | X-RAY DIFFRACTION ( 2.4000 Å ) | ||||||||||||
Citation : |
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
Rueeger, H.,Lueoend, R.,Rogel, O.
et al.
PubMed: 22380629 Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors.
Rueeger, H.,Rondeau, J.M.,McCarthy, C.
et al.
PubMed: 21388807 |
Reaction
Chain : | A, B, C | ||||||||
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UniProt : | P56817 (BACE1_HUMAN) | ||||||||
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