2OJJ

Crystal structure of ERK2 in complex with (S)-N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide

Summary for 2OJJ

Entry DOI	10.2210/pdb2ojj/pdb
Related	2OJG 2OJI 2OK1
Descriptor	Mitogen-activated protein kinase 1, SULFATE ION, (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, ... (4 entities in total)
Functional Keywords	kinase inhibitor, transferase
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm, cytoskeleton, spindle : P28482
Total number of polymer chains	1
Total formula weight	44171.37
Authors	Xie, X.,Jacobs, M.D. (deposition date: 2007-01-12, release date: 2007-02-06, Last modification date: 2023-12-27)
Primary citation	Aronov, A.M.,Baker, C.,Bemis, G.W.,Cao, J.,Chen, G.,Ford, P.J.,Germann, U.A.,Green, J.,Hale, M.R.,Jacobs, M.,Janetka, J.W.,Maltais, F.,Martinez-Botella, G.,Namchuk, M.N.,Straub, J.,Tang, Q.,Xie, X. Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors. J.Med.Chem., 50:1280-1287, 2007 Cited by PubMed Abstract: The Ras/Raf/MEK/ERK signal transduction is a key oncogenic pathway implicated in a variety of human cancers. We have identified a novel series of pyrazolylpyrroles as inhibitors of ERK. Aided by the discovery of two distinct binding modes for the pyrazolylpyrrole scaffold, structure-guided optimization culminated in the discovery of 6p, a potent and selective inhibitor of ERK. PubMed: 17300186 DOI: 10.1021/jm061381f PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.4 Å)

Structure validation