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TitleDesign, synthesis, functional and structural characterization of an inhibitor of N-acetylneuraminate-9-phosphate phosphatase: Observation of extensive dynamics in an enzyme/inhibitor complex.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 23, Page 4107-4111, Year 2013
Publish dateMay 10, 2013 (structure data deposition date)
AuthorsKim, S.H. / Constantine, K.L. / Duke, G.J. / Goldfarb, V. / Hunt, J.T. / Johnson, S. / Kish, K. / Klei, H.E. / McDonnell, P.A. / Metzler, W.J. ...Kim, S.H. / Constantine, K.L. / Duke, G.J. / Goldfarb, V. / Hunt, J.T. / Johnson, S. / Kish, K. / Klei, H.E. / McDonnell, P.A. / Metzler, W.J. / Mueller, L. / Poss, M.A. / Fairchild, C.R. / Bhide, R.S.
External linksBioorg. Med. Chem. Lett. / PubMed:23747226
MethodsX-ray diffraction
Resolution1.993 - 2.699 Å
Structure data

PDB-4knv:
The crystal structure of APO HUMAN HDHD4 FROM SE-MAD
Method: X-RAY DIFFRACTION / Resolution: 1.993 Å

PDB-4knw:
The crystal structure of human HDHD4 IN COMPLEX WITH MAGNESIUM AND THE PHOSPHATE MIMETIC VANADATE
Method: X-RAY DIFFRACTION / Resolution: 2.699 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-VO4:
VANADATE ION

Source
  • homo sapiens (human)
KeywordsHYDROLASE / N-ACETYLNEURAMINATE / NEU5AC-9-PHOSPHATE / CARBOHYDRATE METABOLISM / N-ACETYLNEURAMINIC ACID PHOSPHATASE / NANP / HDHD4

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