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Structure paper

TitleImproving potency and selectivity of a new class of non-Zn-chelating MMP-13 inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 19, Page 5321-5324, Year 2009
Publish dateJul 8, 2009 (structure data deposition date)
AuthorsHeim-Riether, A. / Taylor, S.J. / Liang, S. / Gao, D.A. / Xiong, Z. / Michael August, E. / Collins, B.K. / Farmer, B.T. / Haverty, K. / Hill-Drzewi, M. ...Heim-Riether, A. / Taylor, S.J. / Liang, S. / Gao, D.A. / Xiong, Z. / Michael August, E. / Collins, B.K. / Farmer, B.T. / Haverty, K. / Hill-Drzewi, M. / Junker, H.D. / Mariana Margarit, S. / Moss, N. / Neumann, T. / Proudfoot, J.R. / Keenan, L.S. / Sekul, R. / Zhang, Q. / Li, J. / Farrow, N.A.
External linksBioorg. Med. Chem. Lett. / PubMed:19692239
MethodsX-ray diffraction
Resolution1.95 - 2.208 Å
Structure data

PDB-3i7g:
MMP-13 in complex with a non zinc-chelating inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-3i7i:
MMP-13 in complex with a non zinc-chelating inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.208 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-FMT:
FORMIC ACID

ChemComp-732:
5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide

ChemComp-HOH:
WATER

ChemComp-518:
N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE / protease / Calcium / Collagen degradation / Disease mutation / Disulfide bond / Extracellular matrix / Glycoprotein / Metal-binding / Metalloprotease / Polymorphism / Secreted / Zinc / Zymogen

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