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Structure paper

TitleSynthesis, SAR, and X-ray structure of human BACE-1 inhibitors with cyclic urea derivatives
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 18, Page 2900-2904, Year 2008
Publish dateMar 16, 2008 (structure data deposition date)
AuthorsPark, H. / Min, K. / Kwak, H.-S. / Koo, K.D. / Lim, D. / Seo, S.-W. / Choi, J.-U. / Platt, B. / Choi, D.-Y.
External linksBioorg. Med. Chem. Lett. / PubMed:18434152
MethodsX-ray diffraction
Resolution2.3 - 2.7 Å
Structure data

PDB-3ckp:
Crystal structure of BACE-1 in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-3ckr:
Crystal structure of BACE-1 in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-012:
(4S)-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide

ChemComp-HOH:
WATER

ChemComp-009:
(4S)-1,4-dibenzyl-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE / beta-secretase / aspartyl protease / Alternative splicing / Glycoprotein / Membrane / Transmembrane / Zymogen

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