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6BSK

Human PIM1 kinase in complex with compound 12b

Summary for 6BSK
Entry DOI10.2210/pdb6bsk/pdb
DescriptorSerine/threonine-protein kinase pim-1, 1,2-ETHANEDIOL, 4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid, ... (5 entities in total)
Functional Keywordskinase, pim1, inhibitor, transferase, 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 weight32719.01
Authors
Ferguson, A.D. (deposition date: 2017-12-03, release date: 2018-03-21, Last modification date: 2023-10-04)
Primary citationGingipalli, L.,Block, M.H.,Bao, L.,Cooke, E.,Dakin, L.A.,Denz, C.R.,Ferguson, A.D.,Johannes, J.W.,Larsen, N.A.,Lyne, P.D.,Pontz, T.W.,Wang, T.,Wu, X.,Wu, A.,Zhang, H.J.,Zheng, X.,Dowling, J.E.,Lamb, M.L.
Discovery of 2,6-disubstituted pyrazine derivatives as inhibitors of CK2 and PIM kinases.
Bioorg. Med. Chem. Lett., 28:1336-1341, 2018
Cited by
PubMed Abstract: The design and synthesis of a novel series of 2,6-disubstituted pyrazine derivatives as CK2 kinase inhibitors is described. Structure-guided optimization of a 5-substituted-3-thiophene carboxylic acid screening hit (3a) led to the development of a lead compound (12b), which shows inhibition in both enzymatic and cellular assays. Subsequent design and hybridization efforts also led to the unexpected identification of analogs with potent PIM kinase activity (14f).
PubMed: 29559278
DOI: 10.1016/j.bmcl.2018.03.018
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.573 Å)
Structure validation

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