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Structure paper

TitleDevelopment of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction.
Journal, issue, pagesPlos One, Vol. 8, Page e66226-e66226, Year 2013
Publish dateMay 21, 2012 (structure data deposition date)
AuthorsWatterson, D.M. / Grum-Tokars, V.L. / Roy, S.M. / Schavocky, J.P. / Bradaric, B.D. / Bachstetter, A.D. / Xing, B. / Dimayuga, E. / Saeed, F. / Zhang, H. ...Watterson, D.M. / Grum-Tokars, V.L. / Roy, S.M. / Schavocky, J.P. / Bradaric, B.D. / Bachstetter, A.D. / Xing, B. / Dimayuga, E. / Saeed, F. / Zhang, H. / Staniszewski, A. / Pelletier, J.C. / Minasov, G. / Anderson, W.F. / Arancio, O. / Van Eldik, L.J.
External linksPlos One / PubMed:23840427
MethodsX-ray diffraction
Resolution1.85 - 2 Å
Structure data

PDB-4f9w:
Human P38alpha MAPK in Complex with a Novel and Selective Small Molecule Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-4f9y:
Human P38 alpha MAPK In Complex With a Novel and Selective Small Molecule Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-4fa2:
Human P38 alpha Mitogen-Activated Kinase In Complex With SB239063
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-GG5:
4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE

ChemComp-LM4:
N,N-dimethyl-6-(naphthalen-2-yl)-5-(pyridin-4-yl)pyridazin-3-amine

ChemComp-ZN:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-BME:
BETA-MERCAPTOETHANOL

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-LM3:
N,N-dimethyl-6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-amine

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-SB0:
trans-4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1H-imidazol-1-yl]cyclohexanol

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • homo sapiens (human)
Keywordstransferase/transferase inhibitor / protein kinase catalytic domain / transferase-transferase inhibitor complex

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