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Structure paper

TitleA Structure-Based Discovery Platform for BACE2 and the Development of Selective BACE Inhibitors.
Journal, issue, pagesAcs Chem Neurosci, Vol. 12, Page 581-588, Year 2021
Publish dateOct 1, 2019 (structure data deposition date)
AuthorsYen, Y.C. / Kammeyer, A.M. / Tirlangi, J. / Ghosh, A.K. / Mesecar, A.D.
External linksAcs Chem Neurosci / PubMed:33544569
MethodsX-ray diffraction
Resolution2.15 - 3.03 Å
Structure data

PDB-6uj0:
Unbound BACE2 mutant structure
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-6uj1:
BACE2 mutant in complex with a macrocyclic compound
Method: X-RAY DIFFRACTION / Resolution: 3.03 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-L3M:
(3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide

Source
  • homo sapiens (human)
KeywordsPEPTIDE BINDING PROTEIN / aspartic protease

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