6CPW
Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology
Summary for 6CPW
Entry DOI | 10.2210/pdb6cpw/pdb |
Descriptor | Mitogen-activated protein kinase 1, SULFATE ION, (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, ... (4 entities in total) |
Functional Keywords | transferase, serine/threonine-protein kinase, map kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Rattus norvegicus (Rat) |
Cellular location | Cytoplasm, cytoskeleton, spindle : P63086 |
Total number of polymer chains | 1 |
Total formula weight | 43204.60 |
Authors | |
Primary citation | Boga, S.B.,Alhassan, A.B.,Cooper, A.B.,Doll, R.,Shih, N.Y.,Shipps, G.,Deng, Y.,Zhu, H.,Nan, Y.,Sun, R.,Zhu, L.,Desai, J.,Patel, M.,Muppalla, K.,Gao, X.,Wang, J.,Yao, X.,Kelly, J.,Gudipati, S.,Paliwal, S.,Tsui, H.C.,Wang, T.,Sherborne, B.,Xiao, L.,Hruza, A.,Buevich, A.,Zhang, L.K.,Hesk, D.,Samatar, A.A.,Carr, D.,Long, B.,Black, S.,Dayananth, P.,Windsor, W.,Kirschmeier, P.,Bishop, R. Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology. Bioorg. Med. Chem. Lett., 28:2029-2034, 2018 Cited by PubMed: 29748051DOI: 10.1016/j.bmcl.2018.04.063 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.85 Å) |
Structure validation
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