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TitleGlucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 6116-6136, Year 2019
Publish dateDec 18, 2018 (structure data deposition date)
AuthorsSzabo, K.E. / Kyriakis, E. / Psarra, A.G. / Karra, A.G. / Sipos, A. / Docsa, T. / Stravodimos, G.A. / Katsidou, E. / Skamnaki, V.T. / Liggri, P.G.V. ...Szabo, K.E. / Kyriakis, E. / Psarra, A.G. / Karra, A.G. / Sipos, A. / Docsa, T. / Stravodimos, G.A. / Katsidou, E. / Skamnaki, V.T. / Liggri, P.G.V. / Zographos, S.E. / Mandi, A. / Kiraly, S.B. / Kurtan, T. / Leonidas, D.D. / Somsak, L.
External linksJ. Med. Chem. / PubMed:31251604
MethodsX-ray diffraction
Resolution2.35 - 2.4 Å
Structure data

PDB-6qa6:
Glycogen Phosphorylase b in complex with 30
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-6qa7:
Glycogen Phosphorylase b in complex with 29
Method: X-RAY DIFFRACTION / Resolution: 2.36 Å

PDB-6qa8:
Glycogen Phosphorylase b in complex with 28
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

Chemicals

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

ChemComp-HT8:
(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one

ChemComp-PLP:
PYRIDOXAL-5'-PHOSPHATE

ChemComp-HOH:
WATER

ChemComp-HTW:
(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one

ChemComp-HTE:
(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one

Source
  • oryctolagus cuniculus (rabbit)
KeywordsTRANSFERASE

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