PDB ID: 5QD7
Hetero Atom Contents
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0BI | (4s)-4-[(1r)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatric yclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one | PoSSuM |
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Download interaction data: 5QD7
Structure summary
Code : | 5QD7 PDBj RCSB PDB PDBe | ||||||||||||
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Header : | HYDROLASE | ||||||||||||
Title : | Crystal structure of BACE complex with BMC014 | ||||||||||||
Release Data : | 2020-06-03 | ||||||||||||
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Authors : | Rondeau, J.M., Shao, C., Yang, H., Burley, S.K. | ||||||||||||
Keywords : | Hydroloase, D3R, BACE, Ligand Docking, Hydrolase | ||||||||||||
Exp. method : | X-RAY DIFFRACTION ( 2.12 Å ) | ||||||||||||
Citation : |
D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
Parks, C.D.,Gaieb, Z.,Chiu, M.
et al.
PubMed: 31974851 Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application.
Lerchner, A.,Machauer, R.,Betschart, C.
et al.
PubMed: 19963375 |
Reaction
Chain : | A, B, C | ||||||||
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UniProt : | P56817 (BACE1_HUMAN) | ||||||||
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