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TitleOptimization of an alpha-aminonaphthylmethylphosphonic acid inhibitor of purple acid phosphatase using rational structure-based design approaches.
Journal, issue, pagesEur. J. Med. Chem., Vol. 254, Page 115383-115383, Year 2023
Publish dateNov 23, 2022 (structure data deposition date)
AuthorsFeder, D. / Mohd-Pahmi, S.H. / Adibi, H. / Guddat, L.W. / Schenk, G. / McGeary, R.P. / Hussein, W.M.
External linksEur. J. Med. Chem. / PubMed:37087894
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-8brn:
Crystal structure of red kidney bean purple acid phosphatase in complex with an alpha-aminonaphthylmethylphosphonic acid inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-FE:
Unknown entry

ChemComp-FLC:
CITRATE ANION

ChemComp-PGE:
TRIETHYLENE GLYCOL

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

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

ChemComp-CL:
Unknown entry

ChemComp-R9X:
[(R)-(decanoylamino)-naphthalen-1-yl-methyl]phosphonic acid

ChemComp-NA:
Unknown entry

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

Source
  • phaseolus vulgaris (common bean)
KeywordsMETAL BINDING PROTEIN / Metallohydrolase / Phosphatase

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