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Structure paper

TitleStructure-based design of a bisphosphonate 5'(3')-deoxyribonucleotidase inhibitor
Journal, issue, pagesMedchemcomm, Vol. 6, Page 1635-1638, Year 2015
Publish dateMar 2, 2015 (structure data deposition date)
AuthorsPachl, P. / Simak, O. / Rezacova, P. / Fabry, M. / Budesinsky, M. / Rosenberg, I. / Brynda, J.
External linksMedchemcomm / Search PubMed
MethodsX-ray diffraction
Resolution1.483 - 1.82 Å
Structure data

PDB-4yih:
Crystal structure of human cytosolic 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PVU
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-4yik:
Crystal structure of human cytosolic 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PVU
Method: X-RAY DIFFRACTION / Resolution: 1.483 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-PO4:
PHOSPHATE ION

ChemComp-2O2:
1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / 5'-nucleotidase / dephosphorylation / phosphorylation / HAD-like / mitochondria / HYDROLASE-HYDROLASE INHIBITOR complex

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