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Structure paper

TitleLigand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 3626-3629, Year 2015
Publish dateJun 3, 2015 (structure data deposition date)
AuthorsBagdanoff, J.T. / Jain, R. / Han, W. / Poon, D. / Lee, P.S. / Bellamacina, C. / Lindvall, M.
External linksBioorg. Med. Chem. Lett. / PubMed:26144345
MethodsX-ray diffraction
Resolution1.85 - 2.4 Å
Structure data

PDB-5bue:
ERK2 complexed with N-benzylpyridone tetrahydroazaindazole
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-5bui:
ERK2 complexed with 2-pyridiyl tetrahydroazaindazole
Method: X-RAY DIFFRACTION / Resolution: 2.12 Å

PDB-5buj:
ERK2 complexed with a N-H tetrahydroazaindazole
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

ChemComp-4V8:
1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one

ChemComp-NI:
NICKEL (II) ION

ChemComp-HOH:
WATER

ChemComp-4V9:
3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine

ChemComp-4VB:
4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase inhibitor / erk kinase / ATP inhibitor / Transferase-Transferase inhibitor complex / Erk2 / Mitogen-activated protein kinase 1 / ATP-inhibitor

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