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Structure paper

TitleIdentification and Characterization of Acidic Mammalian Chitinase Inhibitors
Journal, issue, pagesJ. Med. Chem., Vol. 53, Page 6122-6128, Year 2010
Publish dateApr 20, 2011 (structure data deposition date)
AuthorsCole, D.C. / Olland, A.M. / Jacob, J. / Brooks, J. / Bursavich, M.G. / Czerwinski, R. / Declercq, C. / Johnson, M. / Joseph-McCarthy, D. / Ellingboe, J.W. ...Cole, D.C. / Olland, A.M. / Jacob, J. / Brooks, J. / Bursavich, M.G. / Czerwinski, R. / Declercq, C. / Johnson, M. / Joseph-McCarthy, D. / Ellingboe, J.W. / Lin, L. / Nowak, P. / Presman, E. / Strand, J. / Tam, A. / Williams, C.M.M. / Yao, S. / Tsao, D.H.H. / Fitz, L.J.
External linksPubMed:20666458
MethodsX-ray diffraction
Resolution1.8 - 2.1 Å
Structure data

PDB-3rm4:
AMCase in complex with Compound 1
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-3rm8:
AMCase in complex with Compound 2
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3rm9:
AMCase in complex with Compound 3
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3rme:
AMCase in complex with Compound 5
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-3RM:
5-{4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl}-4H-1,2,4-triazol-3-amine

ChemComp-HOH:
WATER

ChemComp-RM8:
2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole

ChemComp-613:
4-(4-chlorophenyl)piperazine-1-carboximidamide

ChemComp-GOL:
GLYCEROL

PDB-1bem:
INTERACTION BETWEEN PROXIMAL AND DISTALS REGIONS OF CYTOCHROME C PEROXIDASE

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex

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