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Structure paper

TitleDevelopment of Calpain-specific Inactivators by Screening of Positional Scanning Epoxide Libraries
Journal, issue, pagesJ. Biol. Chem., Vol. 282, Page 9600-9611, Year 2007
Publish dateOct 31, 2006 (structure data deposition date)
AuthorsCuerrier, D. / Moldoveanu, T. / Campbell, R.L. / Kelly, J. / Yoruk, B. / Verhelst, S.H.L. / Greenbaum, D. / Bogyo, M. / Davies, P.L.
External linksJ. Biol. Chem. / PubMed:17218315
MethodsX-ray diffraction
Resolution2.04 Å
Structure data

PDB-2nqg:
Calpain 1 proteolytic core inactivated by WR18(S,S), an epoxysuccinyl-type inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 2.04 Å

PDB-2nqi:
Calpain 1 proteolytic core inactivated by WR13(R,R), an epoxysuccinyl-type inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 2.04 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-NQG:
5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE

ChemComp-HOH:
WATER

ChemComp-NQI:
N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]AMINO}PENT-4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE

Source
  • rattus norvegicus (Norway rat)
KeywordsHYDROLASE / epoxide / epoxysuccinyl / protease / peptidase / proteinase / inactivator / inhibitor

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