4WRS
Crystal structure of human Pim-1 kinase in complex with an azaspiro pyrazinyl-indazole inhibitor.
Summary for 4WRS
| Entry DOI | 10.2210/pdb4wrs/pdb |
| Descriptor | Serine/threonine-protein kinase pim-1, GLYCEROL, 3-{6-[(4R)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1H-indazole, ... (4 entities in total) |
| Functional Keywords | transferase, serine/threonine protein kinase, 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 | 33682.06 |
| Authors | Mohr, C. (deposition date: 2014-10-25, release date: 2015-02-04, Last modification date: 2023-12-27) |
| Primary citation | Wang, H.L.,Cee, V.J.,Chavez, F.,Lanman, B.A.,Reed, A.B.,Wu, B.,Guerrero, N.,Lipford, J.R.,Sastri, C.,Winston, J.,Andrews, K.L.,Huang, X.,Lee, M.R.,Mohr, C.,Xu, Y.,Zhou, Y.,Tasker, A.S. The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors. Bioorg.Med.Chem.Lett., 25:834-840, 2015 Cited by PubMed Abstract: The three Pim kinases are a small family of serine/threonine kinases regulating several signaling pathways that are fundamental to tumorigenesis. As such, the Pim kinases are a very attractive target for pharmacological inhibition in cancer therapy. Herein, we describe our efforts toward the development of a potent, pan-Pim inhibitor. The synthesis and hit-to-lead SAR development from a 3-(pyrazin-2-yl)-1H-indazole derived hit 2 to the identification of a series of potent, pan-Pim inhibitors such as 13o are described. PubMed: 25597005DOI: 10.1016/j.bmcl.2014.12.068 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
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