3T9I

Pim1 complexed with a novel 3,6-disubstituted indole at 2.6 Ang Resolution

Summary for 3T9I

• Entry DOI: 10.2210/pdb3t9i/pdb
• Descriptor: Proto-oncogene serine/threonine-protein kinase pim-1, 2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol (3 entities in total)
• Functional Keywords: kinase, phosphotransferase, phosphorylation, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Isoform 2: Cytoplasm. Isoform 1: Cell membrane: P11309
• Total number of polymer chains: 1
• Total formula weight: 37914.04

Authors

Bellamacina, C.,Shu, W.,Le, V.,Nishiguchi, G.,Bussiere, D. (deposition date: 2011-08-02, release date: 2011-10-12, Last modification date: 2024-11-06)

Primary citation

Nishiguchi, G.A.,Atallah, G.,Bellamacina, C.,Burger, M.T.,Ding, Y.,Feucht, P.H.,Garcia, P.D.,Han, W.,Klivansky, L.,Lindvall, M.
Discovery of novel 3,5-disubstituted indole derivatives as potent inhibitors of Pim-1, Pim-2, and Pim-3 protein kinases.
Bioorg.Med.Chem.Lett., 21:6366-6369, 2011

PubMed Abstract: A series of novel 3,5-disubstituted indole derivatives as potent and selective inhibitors of all three members of the Pim kinase family is described. High throughput screen identified a pan-Pim kinase inhibitor with a promiscuous scaffold. Guided by structure-based drug design, SAR of the series afforded a highly selective indole chemotype that was further developed into a potent set of compounds against Pim-1, 2, and 3 (Pim-1 and Pim-3: IC(50)≤2nM and Pim-2: IC(50)≤100nM).

PubMed: 21945284
DOI: 10.1016/j.bmcl.2011.08.105

Experimental method

X-RAY DIFFRACTION (2.6 Å)