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Structure paper

TitleMapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Journal, issue, pagesActa Crystallogr. ,Sect. D, Vol. 69, Page 1124-, Year 2013
Publish dateJan 23, 2013 (structure data deposition date)
AuthorsBanner, D.W. / Gsell, B. / Benz, J. / Bertschinger, J. / Burger, D. / Brack, S. / Cuppuleri, S. / Debulpaep, M. / Gast, A. / Grabulovski, D. ...Banner, D.W. / Gsell, B. / Benz, J. / Bertschinger, J. / Burger, D. / Brack, S. / Cuppuleri, S. / Debulpaep, M. / Gast, A. / Grabulovski, D. / Hennig, M. / Hilpert, H. / Huber, W. / Kuglstatter, A. / Kusznir, E. / Laeremans, T. / Matile, H. / Miscenic, C. / Rufer, A. / Schlatter, D. / Steyeart, J. / Stihle, M. / Thoma, R. / Weber, M. / Ruf, A.
External linksActa Crystallogr. ,Sect. D / PubMed:23695257
MethodsX-ray diffraction
Resolution1.51 - 3.2 Å
Structure data

PDB-3zkg:
BACE2 MUTANT APO STRUCTURE
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-3zki:
BACE2 MUTANT STRUCTURE WITH LIGAND
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-3zkm:
BACE2 FAB COMPLEX
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-3zkn:
BACE2 FAB INHIBITOR COMPLEX
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3zkq:
BACE2 XAPERONE COMPLEX
Method: X-RAY DIFFRACTION / Resolution: 1.51 Å

PDB-3zks:
BACE2 XAPERONE COMPLEX WITH INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 2.11 Å

PDB-3zkx:
TERNARY BACE2 XAPERONE COMPLEX
Method: X-RAY DIFFRACTION / Resolution: 2.37 Å

PDB-3zl7:
BACE2 FYNOMER COMPLEX
Method: X-RAY DIFFRACTION / Resolution: 3.2 Å

PDB-3zov:
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-4bel:
BACE2 XAPERONE COMPLEX
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-4bfb:
BACE2 XAPERONE COMPLEX
Method: X-RAY DIFFRACTION / Resolution: 2.21 Å

Chemicals

ChemComp-B3P:
2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-HOH:
WATER

ChemComp-WZV:
5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide

ChemComp-SO4:
SULFATE ION

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

ChemComp-GOL:
GLYCEROL

ChemComp-CL:
Unknown entry

ChemComp-NA:
Unknown entry

Source
  • homo sapiens (human)
  • mus musculus (house mouse)
  • lama glama (llama)
  • synthetic construct (others)
KeywordsHYDROLASE / HYDROLASE/IMMUNE SYSTEM / HYDROLASE-IMMUNE SYSTEM COMPLEX / ASPARTYL PROTEASE-FAB COMPLEX / IMMUNE SYSTEM/HYDROLASE / IMMUNE SYSTEM-HYDROLASE COMPLEX / FAB COMPLEX / NANOBODY / INHIBITOR / ASPARTYL PROTEASE

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