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Structure paper

TitleCalpain Inhibition by alpha-Ketoamide and Cyclic Hemiacetal Inhibitors Revealed by X-ray Crystallography
Journal, issue, pagesBiochemistry, Vol. 45, Page 7446-7452, Year 2006
Publish dateMar 2, 2006 (structure data deposition date)
AuthorsCuerrier, D. / Moldoveanu, T. / Inoue, J. / Davies, P.L. / Campbell, R.L.
External linksBiochemistry / PubMed:16768440
MethodsX-ray diffraction
Resolution1.61 - 2.25 Å
Structure data

PDB-2g8e:
Calpain 1 proteolytic core in complex with SNJ-1715, a cyclic hemiacetal-type inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-2g8j:
Calpain 1 proteolytic core in complex with SNJ-1945, a alpha-ketoamide-type inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 1.61 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-0M6:
N-[(2S)-1,4-dihydroxybutan-2-yl]-N~2~-(phenylcarbamothioyl)-L-leucinamide

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

ChemComp-HOH:
WATER

ChemComp-D7G:
((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2,3-DIOXOPROPYL)AMINO)CARBONYL)-3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-3-OXAPENTYL ESTER

Source
  • rattus norvegicus (Norway rat)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / protease / peptidase / inhibitor / cyclic hemiacetal / aldehyde / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex / alpha-ketoamide

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