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Structure paper

TitleStructure-based design of highly selective beta-secretase inhibitors: synthesis, biological evaluation, and protein-ligand X-ray crystal structure.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 9195-9207, Year 2012
Publish dateAug 8, 2012 (structure data deposition date)
AuthorsGhosh, A.K. / Venkateswara Rao, K. / Yadav, N.D. / Anderson, D.D. / Gavande, N. / Huang, X. / Terzyan, S. / Tang, J.
External linksJ. Med. Chem. / PubMed:22954357
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-4gid:
Structure of beta-secretase complexed with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-0GH:
N-[(2S)-1-({(2S,3R)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide

ChemComp-LPD:
L-PROLINAMIDE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / ASPARTIC PROTEASE / BETA SECRETASE / APP / BACE / A-BETA / PROTEASE / MEMAPSIN / ALZHEIMER / DRUG DESIGN / HYDROLASE-HYDROLASE INHIBITOR complex

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