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Structure paper

TitleIdentification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics.
Journal, issue, pagesChem. Biol. Drug Des., Vol. 80, Page 665-674, Year 2012
Publish dateJan 29, 2012 (structure data deposition date)
AuthorsFeder, D. / Hussein, W.M. / Clayton, D.J. / Kan, M.W. / Schenk, G. / McGeary, R.P. / Guddat, L.W.
External linksChem. Biol. Drug Des. / PubMed:22943065
MethodsX-ray diffraction
Resolution2.3 - 2.7 Å
Structure data

PDB-4dhl:
Crystal structure of red kidney bean purple acid phosphatase in complex with Maybridge fragment MO07123
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-4dsy:
Crystal structure of red kidney bean purple acid phosphatase in complex with Maybridge fragment CC24201
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-4dt2:
Crystal structure of red kidney bean purple acid phosphatase in complex with Maybridge fragment CC27209
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-FE:
Unknown entry

ChemComp-0K7:
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-HOH:
WATER

ChemComp-0LO:
5-phenylpyridine-3-carboxylic acid

ChemComp-ACT:
ACETATE ION

ChemComp-0LV:
(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol

Source
  • phaseolus vulgaris (common bean)
KeywordsHYDROLASE / Catalytic C domain / N terminal domain / Phosphatase / Acid Phosphatase / Phosphoric Monoester Hydrolases / MO07123 / Maybridge / Fragment / lysosome / HYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex

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