PDB ID: 4D85
Hetero Atom Contents
The number of atoms exceeds 100,000. So, it can not be displayed here.
Select unit:
Select hetatm:
Select chain: Sequence
Data format:
Color scheme of protein:
Code | Name | Style | Show | Link | |
---|---|---|---|---|---|
0GU | (3r,4s,5s)-3-[(3-tert-butylbenzyl)amino]-5-[(4,4,7'-trifluoro-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-5'-yl)methyl]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide | PoSSuM | |||
IOD | Iodide ion | PoSSuM |
Code | Name | Show |
---|
Code | Name | Emphasize |
---|
Code | Name | Show |
---|
Download interaction data: 4D85
Structure summary
Code : | 4D85 PDBj RCSB PDB PDBe | ||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Header : | Hydrolase/Hydrolase inhibitor | ||||||||||||
Title : | Crystal Structure of Human Beta Secretase in Complex with NVP-BVI151 | ||||||||||||
Release Data : | 2012-11-21 | ||||||||||||
Compound : |
|
||||||||||||
Source : |
|
||||||||||||
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-Hydrolase inhibitor complex | ||||||||||||
Exp. method : | X-RAY DIFFRACTION ( 2.6500 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.
|
Reaction
Chain : | A | ||||||||
---|---|---|---|---|---|---|---|---|---|
UniProt : | P56817 (BACE1_HUMAN) | ||||||||
|