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Structure paper

TitleSimple pseudo-dipeptides with a P2' glutamate: a novel inhibitor family of matrix metalloproteases and other metzincins.
Journal, issue, pagesJ. Biol. Chem., Vol. 287, Page 26647-26656, Year 2012
Publish dateSep 12, 2011 (structure data deposition date)
AuthorsDevel, L. / Beau, F. / Amoura, M. / Vera, L. / Cassar-Lajeunesse, E. / Garcia, S. / Czarny, B. / Stura, E.A. / Dive, V.
External linksJ. Biol. Chem. / PubMed:22689580
MethodsX-ray diffraction
Resolution1.587 - 2.43 Å
Structure data

PDB-3ts4:
Human MMP12 in complex with L-glutamate motif inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.587 Å

PDB-3tsk:
Human MMP12 in complex with L-glutamate motif inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3tt4:
Human MMP8 in complex with L-glutamate motif inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-3tvc:
Human MMP13 in complex with L-glutamate motif inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.43 Å

PDB-4efs:
Human MMP12 in complex with L-glutamate motif inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-EEG:
N-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-L-alpha-glutamyl-L-alpha-glutamyl-amide

ChemComp-IMD:
IMIDAZOLE

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-QEG:
N~2~-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-L-glutaminyl-L-alpha-glutamine

ChemComp-E1S:
N~2~-{3-[4-(5-methylthiophen-2-yl)phenyl]propanoyl}-L-alpha-glutamine

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-E3P:
N~2~-[3-(1,1':4',1''-terphenyl-4-yl)propanoyl]-L-alpha-glutamine

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-E37:
N~2~-[4-(4-phenylthiophen-2-yl)benzoyl]-L-alpha-glutamine

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PGR:
R-1,2-PROPANEDIOL

ChemComp-PGO:
S-1,2-PROPANEDIOL

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / pseudo dipeptides / potent inhibitors / metzincin / Zinc protease / HYDROLASE-HYDROLASE INHIBITOR complex / Zinc metalloprotease / pseudo peptides / L-glutamate motif inhibitors

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