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5TEL

Pim-1 kinase in complex with a 7-azaindole

Summary for 5TEL
Entry DOI10.2210/pdb5tel/pdb
DescriptorSerine/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 Keywordskinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (Human)
Cellular locationIsoform 2: Cytoplasm. Isoform 1: Cell membrane: P11309
Total number of polymer chains1
Total formula weight32127.92
Authors
Mechin, I.,Wang, R.,Batchelor, J.D. (deposition date: 2016-09-22, release date: 2017-10-11, Last modification date: 2024-11-13)
Primary citationBarberis, 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

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