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TitleIncorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 1262-1275, Year 2013
Publish dateJan 6, 2013 (structure data deposition date)
AuthorsGeurink, P.P. / van der Linden, W.A. / Mirabella, A.C. / Gallastegui, N. / de Bruin, G. / Blom, A.E. / Voges, M.J. / Mock, E.D. / Florea, B.I. / van der Marel, G.A. ...Geurink, P.P. / van der Linden, W.A. / Mirabella, A.C. / Gallastegui, N. / de Bruin, G. / Blom, A.E. / Voges, M.J. / Mock, E.D. / Florea, B.I. / van der Marel, G.A. / Driessen, C. / van der Stelt, M. / Groll, M. / Overkleeft, H.S. / Kisselev, A.F.
External linksJ. Med. Chem. / PubMed:23320547
MethodsX-ray diffraction
Resolution2.7 - 3.1 Å
Structure data

PDB-4inr:
Yeast 20S proteasome in complex with the vinyl sulfone LU102
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-4int:
Yeast 20S proteasome in complex with the vinyl sulfone LU122
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-4inu:
Yeast 20S proteasome in complex with the vinyl sulfone LU112
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

Chemicals

ChemComp-1G1:
N3Phe-Leu-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form

ChemComp-HOH:
WATER

ChemComp-1G5:
HMB-Val-Ser-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form

ChemComp-1G6:
N3Phe-Phe(4-NH2CH2)-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form

Source
  • saccharomyces cerevisiae (brewer's yeast)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / UPS / drug discovery / irreversible inhibition / Ntn hydrolase / non-lysosomal protein breakdown / HYDROLASE-HYDROLASE INHIBITOR complex

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