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Structure paper

TitleStructural Basis for Inhibition of Cathepsin B Drug Target from the Human Blood Fluke, Schistosoma mansoni.
Journal, issue, pagesJ. Biol. Chem., Vol. 286, Page 35770-35781, Year 2011
Publish dateFeb 21, 2011 (structure data deposition date)
AuthorsJilkova, A. / Rezacova, P. / Lepsik, M. / Horn, M. / Vachova, J. / Fanfrlik, J. / Brynda, J. / McKerrow, J.H. / Caffrey, C.R. / Mares, M.
External linksJ. Biol. Chem. / PubMed:21832058
MethodsX-ray diffraction
Resolution1.3 - 2.64 Å
Structure data

PDB-3qsd:
Structure of cathepsin B1 from Schistosoma mansoni in complex with CA074 inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-3s3q:
Structure of cathepsin B1 from Schistosoma mansoni in complex with K11017 inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3s3r:
Structure of cathepsin B1 from Schistosoma mansoni in complex with K11777 inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.64 Å

Chemicals

ChemComp-074:
[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-DIONYL]-ISOLEUCYL-PROLINE

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-C1P:
N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide

ChemComp-0IW:
Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide

Source
  • schistosoma mansoni (invertebrata)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / cysteine peptidase / digestive tract / HYDROLASE-HYDROLASE INHIBITOR complex / peptidase

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