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: 28947155 DOI: 10.1016/j.bmcl.2017.08.069 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.2 Å)

Structure validation