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Structure paper

TitleStructural basis for the design of novel Schiff base metal chelate inhibitors of trypsin
Journal, issue, pagesBioorg. Med. Chem., Vol. 18, Page 2076-2080, Year 2010
Publish dateNov 26, 2009 (structure data deposition date)
AuthorsIyaguchi, D. / Kawano, S. / Takada, K. / Toyota, E.
External linksBioorg. Med. Chem. / PubMed:20202854
MethodsX-ray diffraction
Resolution1.7 - 1.8 Å
Structure data

PDB-3aas:
Bovine beta-trypsin bound to meta-guanidino schiff base copper (II) chelate
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-3aau:
Bovine beta-trypsin bound to meta-diguanidino schiff base copper (II) chelate
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3aav:
Bovine beta-trypsin bound to meta-diamidino schiff base copper (II) chelate
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-GUS:
(E)-N-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-L-alanine

ChemComp-CA:
Unknown entry

ChemComp-CU:
COPPER (II) ION

ChemComp-HOH:
WATER

ChemComp-GZC:
N,N'''-{ethane-1,2-diylbis[nitrilo(E)methylylidene(4-hydroxybenzene-3,1-diyl)]}diguanidine

ChemComp-A2C:
3,3'-[ethane-1,2-diylbis(nitrilomethylylidene)]bis(4-hydroxybenzenecarboximidamide)

Source
  • bos taurus (domestic cattle)
KeywordsHYDROLASE / enzyme-inhibitor complex / coordination metal based inhibitor / Calcium / Digestion / Metal-binding / Protease / Secreted / Serine protease / Zymogen

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