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TitleIdentification of Dipeptidyl Nitriles as Potent and Selective Inhibitors of Cathepsin B Through Structure-Based Drug Design
Journal, issue, pagesJ. Med. Chem., Vol. 44, Page 4524-, Year 2001
Publish dateSep 25, 2001 (structure data deposition date)
AuthorsGreenspan, P.D. / Clark, K.L. / Tommasi, R.A. / Cowen, S.D. / Mcquire, L.W. / Farley, D.L. / Van Duzer, J.H. / Goldberg, R.L. / Zhou, H. / Du, Z. ...Greenspan, P.D. / Clark, K.L. / Tommasi, R.A. / Cowen, S.D. / Mcquire, L.W. / Farley, D.L. / Van Duzer, J.H. / Goldberg, R.L. / Zhou, H. / Du, Z. / Fitt, J.J. / Coppa, D.E. / Fang, Z. / Macchia, W. / Zhu, L. / Capparelli, M.P. / Goldstein, R. / Wigg, A.M. / Doughty, J.R. / S Bohacek, R. / Knap, A.K.
External linksJ. Med. Chem. / PubMed:11741472
MethodsX-ray diffraction
Resolution1.9 Å
Structure data

PDB-1gmy:
Cathepsin B complexed with dipeptidyl nitrile inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-AEM:
2-AMINOETHANIMIDIC ACID

ChemComp-APD:
3-METHYLPHENYLALANINE

ChemComp-DFA:
DIPHENYLACETIC ACID

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/INHIBITOR / COMPLEX (HYDROLASE-INHIBITOR) / COVALENT COMPLEX / PROTEASE / CATHEPSIN B / HYDROLASE / THIOL PROTEASE / HYDROLASE-INHIBITOR complex

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