1WZY

Crystal structure of human ERK2 complexed with a pyrazolopyridazine derivative

Summary for 1WZY

Entry DOI	10.2210/pdb1wzy/pdb
Descriptor	Mitogen-activated protein kinase 1, 1-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE (3 entities in total)
Functional Keywords	erk2, inhibitor, kinase, transferase
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm, cytoskeleton, spindle : P28482
Total number of polymer chains	1
Total formula weight	42598.85
Authors	Kinoshita, T. (deposition date: 2005-03-10, release date: 2005-12-20, Last modification date: 2024-03-13)
Primary citation	Kinoshita, T.,Warizaya, M.,Ohori, M.,Sato, K.,Neya, M.,Fujii, T. Crystal structure of human ERK2 complexed with a pyrazolo[3,4-c]pyridazine derivative Bioorg.Med.Chem.Lett., 16:55-58, 2006 Cited by PubMed Abstract: A series of pyrazolopyridazine compounds were briefly investigated as ERK2 inhibitors. The crystal structure of ERK2 complexed with an allyl derivative was determined. The compound induces structural change including movement of the glycine-rich loop and peptide flip between Met108-Glu109. As a result, the newly formed subsite can recognize small hydrophobic substituents but not hydrophilic ones. PubMed: 16242327 DOI: 10.1016/j.bmcl.2005.09.055 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.5 Å)

Structure validation