3BGZ

Human Pim-1 kinase in complex with diphenyl indole inhibitor VX3

Summary for 3BGZ

Entry DOI	10.2210/pdb3bgz/pdb
Related	3BGP 3BGQ
Descriptor	Proto-oncogene serine/threonine-protein kinase Pim-1, 2,3-diphenyl-1H-indole-7-carboxylic acid (3 entities in total)
Functional Keywords	kinase inhibitor phosphorylation, alternative initiation, atp-binding, cytoplasm, manganese, membrane, metal-binding, nucleotide-binding, nucleus, phosphoprotein, proto-oncogene, serine/threonine-protein kinase, transferase
Biological source	Homo sapiens (human)
Cellular location	Isoform 2: Cytoplasm. Isoform 1: Cell membrane: P11309
Total number of polymer chains	1
Total formula weight	38297.42
Authors	Jacobs, M.D. (deposition date: 2007-11-27, release date: 2007-12-11, Last modification date: 2024-10-09)
Primary citation	Pierce, A.C.,Jacobs, M.,Stuver-Moody, C. Docking study yields four novel inhibitors of the protooncogene pim-1 kinase. J.Med.Chem., 51:1972-1975, 2008 Cited by PubMed Abstract: To supplement the hits from a high throughput screen, docking was performed against Pim-1 kinase. Glide docking was augmented with a filter to require traditional or aromatic CH..O hydrogen bonds to the kinase hinge. Four diverse actives, of 96 molecules assayed, had K(i) values between 0.091 and 4.5 microM. This gives a 14-fold enrichment over the earlier HTS run, and the two crystal structures solved confirmed the binding modes predicted by docking. PubMed: 18290603 DOI: 10.1021/jm701248t PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.4 Å)

Structure validation