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Structure paper

TitleSynthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis.
Journal, issue, pagesEur. J. Med. Chem., Vol. 182, Page 111611-111611, Year 2019
Publish dateMar 28, 2019 (structure data deposition date)
AuthorsFeder, D. / Kan, M.W. / Hussein, W.M. / Guddat, L.W. / Schenk, G. / McGeary, R.P.
External linksEur. J. Med. Chem. / PubMed:31445230
MethodsX-ray diffraction
Resolution2.2 - 2.3 Å
Structure data

PDB-6of5:
The crystal structure of dodecyloxy(naphthalen-1-yl)methylphosphonic acid in complex with red kidney bean purple acid phosphatase
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-6ofd:
The crystal structure of octadecyloxy(naphthalen-1-yl)methylphosphonic acid in complex with red kidney bean purple acid phosphatase
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-FE:
Unknown entry

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

ChemComp-SO4:
SULFATE ION

ChemComp-NA:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-MFJ:
[(R)-{[(2E,4Z,8Z)-dodeca-2,4,8-trien-1-yl]oxy}(naphthalen-1-yl)methyl]phosphonic acid

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-MF1:
[(S)-(naphthalen-1-yl)(octadecyloxy)methyl]phosphonic acid

ChemComp-CL:
Unknown entry

Source
  • phaseolus vulgaris (French bean)
KeywordsMETAL BINDING PROTEIN / Purple acid phosphatase / metallohydrolases / transition state / catalysis / osteoporosis

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