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TitleDesign, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 128, Page 5310-5311, Year 2006
Publish dateMar 5, 2006 (structure data deposition date)
AuthorsGhosh, A.K. / Kumaragurubaran, N. / Hong, L. / Lei, H. / Hussain, K.A. / Liu, C.F. / Devasamudram, T. / Weerasena, V. / Turner, R. / Koelsch, G. ...Ghosh, A.K. / Kumaragurubaran, N. / Hong, L. / Lei, H. / Hussain, K.A. / Liu, C.F. / Devasamudram, T. / Weerasena, V. / Turner, R. / Koelsch, G. / Bilcer, G. / Tang, J.
External linksJ. Am. Chem. Soc. / PubMed:16620080
MethodsX-ray diffraction
Resolution1.86 Å
Structure data

PDB-2g94:
Crystal structure of beta-secretase bound to a potent and highly selective inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 1.86 Å

Chemicals

ChemComp-ZPQ:
N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHOXY]CARBONYL}-3-(METHYLSULFONYL)-L-ALANYL]AMINO}-4-HYDROXY-2,7-DIMETHYLOCTANOYL]-N-ISOBUTYL-L-VALINAMIDE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / beta secretase / Alzheimer's disease / memapsin / BACE / ASP2 / Aspartic protease / drug design / protease inhibitor

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