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Structure paper

TitleDesign, synthesis, and evaluation of cystargolide-based beta-lactones as potent proteasome inhibitors.
Journal, issue, pagesEur J Med Chem, Vol. 157, Page 962-977, Year 2018
Publish dateApr 5, 2018 (structure data deposition date)
AuthorsNiroula, D. / Hallada, L.P. / Le Chapelain, C. / Ganegamage, S.K. / Dotson, D. / Rogelj, S. / Groll, M. / Tello-Aburto, R.
External linksEur J Med Chem / PubMed:30165344
MethodsX-ray diffraction
Resolution2.7 - 3 Å
Structure data

PDB-6g7f:
Yeast 20S proteasome in complex with Cystargolide B
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-6g8m:
Yeast 20S proteasome in complex with Cystargolide B Derivative 1
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-6g8n:
Yeast 20S proteasome in complex with Cystargolide B Derivative 2
Method: X-RAY DIFFRACTION / Resolution: 3 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-EPW:
Cystargolide B- bound form

ChemComp-HOH:
WATER

ChemComp-EQE:
(2~{S},3~{R})-4-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-2-propan-2-yl-butanoic acid

ChemComp-EQB:
(2~{S},3~{S})-3-methyl-2-[(1~{R})-2-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]

Source
  • saccharomyces cerevisiae (strain atcc 204508 / s288c) (yeast)
KeywordsHYDROLASE / Proteasome / Inhibitor / Beta Lactone; Natural Product / Binding Analysis / Beta Lactone; Natural Product Derivative

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