5TEL

Pim-1 kinase in complex with a 7-azaindole

Summary for 5TEL

Entry DOI	10.2210/pdb5tel/pdb
Descriptor	Serine/threonine-protein kinase pim-1, IMIDAZOLE, 4-chloro-2-{5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indol-3-yl}-1H-pyrrolo[2,3-b]pyridine, ... (4 entities in total)
Functional Keywords	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	32127.92
Authors	Mechin, I.,Wang, R.,Batchelor, J.D. (deposition date: 2016-09-22, release date: 2017-10-11, Last modification date: 2023-10-04)
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 (2.214 Å)

Structure validation