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Structure paper

TitleStructure-Based Design of beta 5c Selective Inhibitors of Human Constitutive Proteasomes.
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 7177-7187, Year 2016
Publish dateApr 21, 2016 (structure data deposition date)
AuthorsXin, B.T. / de Bruin, G. / Huber, E.M. / Besse, A. / Florea, B.I. / Filippov, D.V. / van der Marel, G.A. / Kisselev, A.F. / van der Stelt, M. / Driessen, C. ...Xin, B.T. / de Bruin, G. / Huber, E.M. / Besse, A. / Florea, B.I. / Filippov, D.V. / van der Marel, G.A. / Kisselev, A.F. / van der Stelt, M. / Driessen, C. / Groll, M. / Overkleeft, H.S.
External linksJ. Med. Chem. / PubMed:27438186
MethodsX-ray diffraction
Resolution2.9 - 3 Å
Structure data

PDB-5jhr:
Yeast 20S proteasome in complex with the peptidic epoxyketone inhibitor 27
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-5jhs:
Yeast 20S proteasome in complex with the peptidic epoxyketone inhibitor 15
Method: X-RAY DIFFRACTION / Resolution: 3 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-6KF:
(2S)-2-azido-N-[(2S)-3-(biphenyl-4-yl)-1-{[(2S)-1-{[(2S,3S,4R)-3,5-dihydroxy-4-methylpentan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-1-oxopropan-2-yl]-3-phenylpropanamide (non-preferred name)

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-HOH:
WATER

ChemComp-6KG:
Nalpha-[(2S)-2-{[(2S)-2-azido-3-phenylpropanoyl]amino}-4-cyclohexylbutanoyl]-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-phenylalaninamide

Source
  • saccharomyces cerevisiae (strain atcc 204508 / s288c) (yeast)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex / Proteasome / Inhibitor / Binding Analysis

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