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Structure paper

TitleBace1 Inhibitors: A Head Group Scan on a Series of Amides.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 23, Page 4239-, Year 2013
Publish dateMar 11, 2013 (structure data deposition date)
AuthorsWoltering, T.J. / Wostl, W. / Hilpert, H. / Rogers-Evans, M. / Pinard, E. / Mayweg, A. / Gobel, M. / Banner, D.W. / Benz, J. / Travagli, M. ...Woltering, T.J. / Wostl, W. / Hilpert, H. / Rogers-Evans, M. / Pinard, E. / Mayweg, A. / Gobel, M. / Banner, D.W. / Benz, J. / Travagli, M. / Pollastrini, M. / Marconi, G. / Gabellieri, E. / Guba, W. / Mauser, H. / Andreini, M. / Jacobsen, H. / Power, E. / Narquizian, R.
External linksBioorg. Med. Chem. Lett. / PubMed:23735744
MethodsX-ray diffraction
Resolution2.3 - 2.39 Å
Structure data

PDB-4bek:
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND
Method: X-RAY DIFFRACTION / Resolution: 2.39 Å

PDB-4bfd:
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-XK0:
(4S)-4-(4-methoxyphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

ChemComp-NA:
Unknown entry

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

ChemComp-8T3:
N-[3-[(1S,3S,6S)-5-azanyl-3-methyl-4-azabicyclo[4.1.0]hept-4-en-3-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carbox

Source
  • homo sapiens (human)
KeywordsHYDROLASE

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