5K4I

Crystal Structure of ERK2 in complex with compound 22

Summary for 5K4I

• Entry DOI: 10.2210/pdb5k4i/pdb
• Related: 5K4J
• Descriptor: Mitogen-activated protein kinase 1, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: protein kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm, cytoskeleton, spindle : P28482
• Total number of polymer chains: 1
• Total formula weight: 41394.94

Authors

Yin, J.,Wang, W. (deposition date: 2016-05-20, release date: 2016-07-06, Last modification date: 2024-03-06)

• Primary citation: Blake, J.F.,Burkard, M.,Chan, J.,Chen, H.,Chou, K.J.,Diaz, D.,Dudley, D.A.,Gaudino, J.J.,Gould, S.E.,Grina, J.,Hunsaker, T.,Liu, L.,Martinson, M.,Moreno, D.,Mueller, L.,Orr, C.,Pacheco, P.,Qin, A.,Rasor, K.,Ren, L.,Robarge, K.,Shahidi-Latham, S.,Stults, J.,Sullivan, F.,Wang, W.,Yin, J.,Zhou, A.,Belvin, M.,Merchant, M.,Moffat, J.,Schwarz, J.B.; Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.; J.Med.Chem., 59:5650-5660, 2016; PubMed: 27227380; DOI: 10.1021/acs.jmedchem.6b00389

Experimental method

X-RAY DIFFRACTION (1.76 Å)