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Structure paper

TitleDevelopment of a high throughput and site specific, fluorescent polarization assay to screen for activators of Caseinolytic Protease P leads to the discovery of synthetically tractable new activator class
Journal, issue, pagesTo Be Published
Publish dateAug 23, 2022 (structure data deposition date)
AuthorsSingh, A.C. / Zhao, Y. / Griffith, E.C. / Tangallapally, R. / Jarret, M.W. / Lee, R.E.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.57 - 2.17 Å
Structure data

PDB-8e71:
Staphylococcus aureus ClpP in complex with compound 3471
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

PDB-8e7p:
Staphylococcus aureus ClpP in complex with compound 3421
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-8ef8:
Staphylococcus aureus ClpP Y63W in complex with compound 3471
Method: X-RAY DIFFRACTION / Resolution: 2.17 Å

Chemicals

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-USU:
(5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide

ChemComp-HOH:
WATER

ChemComp-UTC:
(5R,6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide

Source
  • staphylococcus aureus subsp. aureus nctc 8325 (bacteria)
KeywordsCYTOSOLIC PROTEIN / ClpP / hydrolase

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