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TitleCo-crystal structure determination and cellular evaluation of 1,4-dihydropyrazolo[4,3-c] [1,2] benzothiazine 5,5-dioxide p38 alpha MAPK inhibitors.
Journal, issue, pagesBiochem. Biophys. Res. Commun., Vol. 511, Page 579-586, Year 2019
Publish dateJul 31, 2017 (structure data deposition date)
AuthorsBartolini, D. / Buhrmann, M. / Barreca, M.L. / Manfroni, G. / Cecchetti, V. / Rauh, D. / Galli, F.
External linksBiochem. Biophys. Res. Commun. / PubMed:30824186
MethodsX-ray diffraction
Resolution2 - 2.5 Å
Structure data

PDB-5omg:
p38alpha in complex with pyrazolobenzothiazine inhibitor COXP4M12
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-5omh:
p38alpha in complex with pyrazolobenzothiazine inhibitor COXH11
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-BOG:
octyl beta-D-glucopyranoside / detergent*YM

ChemComp-9Y8:
3-(4-fluorophenyl)-4-methyl-1~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide

ChemComp-HOH:
WATER

ChemComp-9Y5:
1-(3-chlorophenyl)-3-methyl-4~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / p38 / kinase / inhibitor / pyrazolobenzothiazine / complex

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