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TitleEvaluating the molecular mechanics poisson-boltzmann surface area free energy method using a congeneric series of ligands to p38 MAP kinase.
Journal, issue, pagesJ. Med. Chem., Vol. 48, Page 7796-7807, Year 2005
Publish dateNov 20, 2008 (structure data deposition date)
AuthorsPearlman, D.A.
External linksJ. Med. Chem. / PubMed:16302819
MethodsX-ray diffraction
Resolution2.4 Å
Structure data

PDB-3fc1:
Crystal structure of p38 kinase bound to pyrimido-pyridazinone inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-52P:
5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / kinase inhibitor / ATP-binding / Nucleotide-binding / Nucleus / Phosphoprotein / Serine/threonine-protein kinase

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