5KCX
Pim-1 kinase in Complex with a Selective N-substituted 7-azaindole Inhibitor
Summary for 5KCX
Entry DOI | 10.2210/pdb5kcx/pdb |
Descriptor | Serine/threonine-protein kinase pim-1, IMIDAZOLE, ACETATE ION, ... (5 entities in total) |
Functional Keywords | kinase, inhibitor, complex, transferase-inhibitor complex, 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 | 34130.11 |
Authors | Mechin, I.,McLean, L.R.,Zhang, Y.,Wang, R. (deposition date: 2016-06-07, release date: 2017-07-19, Last modification date: 2024-03-06) |
Primary citation | Barberis, C.,Moorcroft, N.,Arendt, C.,Levit, M.,Moreno-Mazza, S.,Batchelor, J.,Mechin, I.,Majid, T. Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I. Bioorg. Med. Chem. Lett., 27:4730-4734, 2017 Cited by PubMed Abstract: Novel N-substituted azaindoles have been discovered as PIM1 inhibitors. X-ray structures have played a significant role in orienting the chemistry effort in the initial phase of hit confirmation. Disclosure of an unconventional binding mode for 1 and 2, as demonstrated by X-ray crystallography, is presented and was an important factor in selecting and advancing a lead series. PubMed: 28947155DOI: 10.1016/j.bmcl.2017.08.069 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
Download full validation report