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7B1E

BACE1 IN COMPLEX WITH compound 3 (NB-641)

Summary for 7B1E
Entry DOI10.2210/pdb7b1e/pdb
DescriptorBeta-secretase 1, ~{N}-[3-[(4~{S})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide (3 entities in total)
Functional Keywordsbeta-secretase; bace1; memapsin2; aspartic acid proteinase; alzheimer's disease; enzyme inhibitor complex; structure-based drug design, hydrolase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total formula weight45182.65
Authors
Rondeau, J.M.,Wirth, E. (deposition date: 2020-11-24, release date: 2021-04-28, Last modification date: 2021-05-05)
Primary citationRueeger, H.,Lueoend, R.,Machauer, R.,Veenstra, S.J.,Holzer, P.,Hurth, K.,Voegtle, M.,Frederiksen, M.,Rondeau, J.M.,Tintelnot-Blomley, M.,Jacobson, L.H.,Staufenbiel, M.,Laue, G.,Neumann, U.
Synthesis of the Potent, Selective, and Efficacious beta-Secretase (BACE1) Inhibitor NB-360.
J.Med.Chem., 64:4677-4696, 2021
Cited by
PubMed: 33844524
DOI: 10.1021/acs.jmedchem.0c02143
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.62 Å)
Structure validation

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