PDB ID: 4DPF
Hetero Atom Contents
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0LG | N-[(4s,8e,11s)-4-[(1r)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-N-methylmethanesulfonamide | PoSSuM |
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Download interaction data: 4DPF
Structure summary
Code : | 4DPF PDBj RCSB PDB PDBe | ||||||||||||
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Header : | Hydrolase/Hydrolase inhibitor | ||||||||||||
Title : | BACE-1 in complex with a HEA-macrocyclic type inhibitor | ||||||||||||
Release Data : | 2012-07-11 | ||||||||||||
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Authors : | Lindberg, J., Borkakoti, N., Derbyshire, D. | ||||||||||||
Keywords : | BACE1, ASP2, BACE, macrocycle, Hydrolase-Hydrolase inhibitor complex | ||||||||||||
Exp. method : | X-RAY DIFFRACTION ( 1.8000 Å ) | ||||||||||||
Citation : |
Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes.
Sandgren, V.,Agback, T.,Johansson, P.O.
et al.
PubMed: 22698785 |
Reaction
Chain : | A | ||||||||
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UniProt : | P56817 (BACE1_HUMAN) | ||||||||
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