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TitleThe development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 4360-4365, Year 2006
Publish dateApr 28, 2006 (structure data deposition date)
AuthorsSabat, M. / Vanrens, J.C. / Clark, M.P. / Brugel, T.A. / Maier, J. / Bookland, R.G. / Laufersweiler, M.J. / Laughlin, S.K. / Golebiowski, A. / De, B. ...Sabat, M. / Vanrens, J.C. / Clark, M.P. / Brugel, T.A. / Maier, J. / Bookland, R.G. / Laufersweiler, M.J. / Laughlin, S.K. / Golebiowski, A. / De, B. / Hsieh, L.C. / Walter, R.L. / Mekel, M.J. / Janusz, M.J.
External linksBioorg. Med. Chem. Lett. / PubMed:16750367
MethodsX-ray diffraction
Resolution1.8 - 1.9 Å
Structure data

PDB-2gtm:
Mutated Mouse P38 MAP Kinase Domain in complex with Inhibitor PG-892579
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-2gtn:
Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-951717
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-LID:
8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM

ChemComp-HOH:
WATER

ChemComp-SO4:
SULFATE ION

ChemComp-LIE:
2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE

Source
  • mus musculus (house mouse)
KeywordsTRANSFERASE / MAP KINASE P38 / P38

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