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Structure paper

TitleExtra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8)
Journal, issue, pagesJ. Med. Chem., Vol. 52, Page 1040-1049, Year 2009
Publish dateJul 2, 2008 (structure data deposition date)
AuthorsPochetti, G. / Montanari, R. / Gege, C. / Chevrier, C. / Taveras, A.G. / Mazza, F.
External linksJ. Med. Chem. / PubMed:19173605
MethodsX-ray diffraction
Resolution1.6 - 2.1 Å
Structure data

PDB-3dng:
Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3dpe:
Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-3dpf:
Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-ZN:
Unknown entry

ChemComp-AXA:
(5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide

ChemComp-HOH:
WATER

ChemComp-AXB:
N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide

ChemComp-HAE:
ACETOHYDROXAMIC ACID / medication*YM

Source
  • homo sapiens (human)
KeywordsHYDROLASE / selective inhibition / non-zinc chelating inhibitors / Calcium / Collagen degradation / Extracellular matrix / Glycoprotein / Metal-binding / Metalloprotease / Polymorphism / Protease / Secreted / Zinc / Zymogen

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