4QYY

Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State

Summary for 4QYY

• Entry DOI: 10.2210/pdb4qyy/pdb
• Descriptor: Mitogen-activated protein kinase 1, (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, SULFATE ION, ... (4 entities in total)
• Functional Keywords: transferase, serine/threonine-protein kinase, map kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Rattus norvegicus (brown rat,rat,rats)
• Cellular location: Cytoplasm, cytoskeleton, spindle : P63086
• Total number of polymer chains: 1
• Total formula weight: 43003.67

Authors

Deng, Y.,Shipps, G.W.,Cooper, A.,English, J.M.,Annis, D.A.,Carr, D.,Nan, Y.,Wang, T.,Zhu, Y.H.,Chuang, C.,Dayananth, P.,Hruza, A.W.,Xiao, L.,Jin, W.,Kirschmeier, P.,Windsor, W.T.,Samatar, A.A. (deposition date: 2014-07-26, release date: 2014-11-12, Last modification date: 2023-09-20)

• Primary citation: Deng, Y.,Shipps, G.W.,Cooper, A.,English, J.M.,Annis, D.A.,Carr, D.,Nan, Y.,Wang, T.,Zhu, H.Y.,Chuang, C.C.,Dayananth, P.,Hruza, A.W.,Xiao, L.,Jin, W.,Kirschmeier, P.,Windsor, W.T.,Samatar, A.A.; Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase.; J.Med.Chem., 57:8817-8826, 2014; PubMed: 25313996; DOI: 10.1021/jm500847m

Experimental method

X-RAY DIFFRACTION (1.65 Å)