6DCG
Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology
Summary for 6DCG
Entry DOI | 10.2210/pdb6dcg/pdb |
Descriptor | Mitogen-activated protein kinase 1, SULFATE ION, (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, ... (4 entities in total) |
Functional Keywords | kinase inhibitor, kinase selectivity, transferase, serine/ threonine-protein kinase, map kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Rattus norvegicus (Rat) |
Total number of polymer chains | 1 |
Total formula weight | 43245.67 |
Authors | Boga, S.B.,Deng, Y.,Zhu, L.,Nan, Y.,Cooper, A.,Shipps Jr., G.W.,Doll, R.,Shih, N.,Zhu, H.,Sun, R.,Wang, T.,Paliwal, S.,Tsui, H.,Gao, X.,Yao, X.,Desai, J.,Wang, J.,Alhassan, A.B.,Kelly, J.,Patel, M.,Muppalla, K.,Gudipati, S.,Zhang, L.,Buevich, A.,Hesk, D.,Carr, D.,Dayananth, P.,Mei, H.,Cox, K.,Sherborne, B.,Hruza, A.W.,Xiao, L.,Jin, W.,Long, B.,Liu, G.,Taylor, S.A.,Kirschmeier, P.,Windsor, W.T.,Bishop, R.,Samatar, A.A. (deposition date: 2018-05-06, release date: 2018-08-08, Last modification date: 2023-10-11) |
Primary citation | Boga, S.B.,Deng, Y.,Zhu, L.,Nan, Y.,Cooper, A.B.,Shipps Jr., G.W.,Doll, R.,Shih, N.Y.,Zhu, H.,Sun, R.,Wang, T.,Paliwal, S.,Tsui, H.C.,Gao, X.,Yao, X.,Desai, J.,Wang, J.,Alhassan, A.B.,Kelly, J.,Patel, M.,Muppalla, K.,Gudipati, S.,Zhang, L.K.,Buevich, A.,Hesk, D.,Carr, D.,Dayananth, P.,Black, S.,Mei, H.,Cox, K.,Sherborne, B.,Hruza, A.W.,Xiao, L.,Jin, W.,Long, B.,Liu, G.,Taylor, S.A.,Kirschmeier, P.,Windsor, W.T.,Bishop, R.,Samatar, A.A. MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology. ACS Med Chem Lett, 9:761-767, 2018 Cited by PubMed: 30034615DOI: 10.1021/acsmedchemlett.8b00220 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.45 Å) |
Structure validation
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