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Structure paper

TitleHydantoin based inhibitors of MMP13--discovery of AZD6605.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 23, Page 4705-4712, Year 2013
Publish dateMar 19, 2013 (structure data deposition date)
AuthorsDe Savi, C. / Waterson, D. / Pape, A. / Lamont, S. / Hadley, E. / Mills, M. / Page, K.M. / Bowyer, J. / Maciewicz, R.A.
External linksBioorg. Med. Chem. Lett. / PubMed:23810497
MethodsX-ray diffraction
Resolution1.43 - 2 Å
Structure data

PDB-4jp4:
Mmp13 in complex with a reverse hydroxamate Zn-binder
Method: X-RAY DIFFRACTION / Resolution: 1.43 Å

PDB-4jpa:
Mmp13 in complex with a piperazine hydantoin ligand
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-AZ4:
N-[(2S)-4-(5-fluoropyrimidin-2-yl)-1-({4-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]piperazin-1-yl}sulfonyl)butan-2-yl]-N-hydroxyformamide

ChemComp-HOH:
WATER

ChemComp-AZ6:
3-[({2-[4-({[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}sulfonyl)piperazin-1-yl]pyrimidin-5-yl}oxy)methyl]benzonitrile

Source
  • homo sapiens (human)
KeywordsHYDROLASE / matrix metalloprotease / calcium binding / zinc binding

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