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Structure paper

TitleStructure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 1004-1007, Year 2010
Publish dateOct 20, 2009 (structure data deposition date)
AuthorsTsukada, T. / Takahashi, M. / Takemoto, T. / Kanno, O. / Yamane, T. / Kawamura, S. / Nishi, T.
External linksBioorg. Med. Chem. Lett. / PubMed:20045638
MethodsX-ray diffraction
Resolution2.25 - 2.8 Å
Structure data

PDB-3kbz:
Crystal structure of human liver FBPase in complex with tricyclic inhibitor 6
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-3kc0:
Crystal structure of human liver FBPase in complex with tricyclic inhibitor 10b
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-3kc1:
Crystal structure of human liver FBPase in complex with tricyclic inhibitor 19a
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

Chemicals

ChemComp-2T4:
{[(2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid

ChemComp-HOH:
WATER

ChemComp-2T5:
[(8H-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid

ChemComp-2T6:
{[(7-carbamoyl-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Allosteric enzyme / Carbohydrate metabolism / Disease mutation / Gluconeogenesis / Magnesium / Metal-binding / Polymorphism

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