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Structure paper

TitleDi-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors.
Journal, issue, pagesBioorg. Med. Chem., Vol. 18, Page 630-639, Year 2010
Publish dateAug 11, 2009 (structure data deposition date)
AuthorsMalamas, M.S. / Barnes, K. / Johnson, M. / Hui, Y. / Zhou, P. / Turner, J. / Hu, Y. / Wagner, E. / Fan, K. / Chopra, R. ...Malamas, M.S. / Barnes, K. / Johnson, M. / Hui, Y. / Zhou, P. / Turner, J. / Hu, Y. / Wagner, E. / Fan, K. / Chopra, R. / Olland, A. / Bard, J. / Pangalos, M. / Reinhart, P. / Robichaud, A.J.
External linksBioorg. Med. Chem. / PubMed:20045648
MethodsX-ray diffraction
Resolution2 - 2.3 Å
Structure data

PDB-3in3:
Bace1 with Compound 30
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3in4:
Bace1 with Compound 38
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-472:
(5S)-2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one

ChemComp-HOH:
WATER

ChemComp-BX2:
(5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one

Source
  • homo sapiens (human)
KeywordsHYDROLASE / bace1 / inhibitor / Alternative splicing / Aspartyl protease / Disulfide bond / Glycoprotein / Membrane / Polymorphism / Protease / Transmembrane / Zymogen / bace-1

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