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TitleP(2)-P(3) conformationally constrained ketoamide-based inhibitors of cathepsin K.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 15, Page 3540-3546, Year 2005
Publish dateFeb 10, 2005 (structure data deposition date)
AuthorsBarrett, D.G. / Boncek, V.M. / Catalano, J.G. / Deaton, D.N. / Hassell, A.M. / Jurgensen, C.H. / Long, S.T. / McFadyen, R.B. / Miller, A.B. / Miller, L.R. ...Barrett, D.G. / Boncek, V.M. / Catalano, J.G. / Deaton, D.N. / Hassell, A.M. / Jurgensen, C.H. / Long, S.T. / McFadyen, R.B. / Miller, A.B. / Miller, L.R. / Payne, J.A. / Ray, J.A. / Samano, V. / Shewchuk, L.M. / Tavares, F.X. / Wells-Knecht, K.J. / Willard, D.H. / Wright, L.L. / Zhou, H.Q.
External linksBioorg. Med. Chem. Lett. / PubMed:15982880
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-1yt7:
Cathepsin K complexed with a constrained ketoamide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-3FC:
(1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-YL}METHYL)PROPYL (1S)-1-{OXO[(2-OXO-1,3-OXAZOLIDIN-3-YL)AMINO]ACETYL}PENTYLCARBAMATE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / cathepsin / cysteine protease

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