5VUB

Pim1 Kinase in complex with a benzofuranone inhibitor

Summary for 5VUB

Entry DOI	10.2210/pdb5vub/pdb
Descriptor	Serine/threonine-protein kinase pim-1, GLYCEROL, (2Z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one, ... (4 entities in total)
Functional Keywords	pim1 kinase, kinase inhibitor, 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	34686.26
Authors	Parker, L.J. (deposition date: 2017-05-18, release date: 2017-12-13, Last modification date: 2018-01-17)
Primary citation	Watanabe, C.,Watanabe, H.,Fukuzawa, K.,Parker, L.J.,Okiyama, Y.,Yuki, H.,Yokoyama, S.,Nakano, H.,Tanaka, S.,Honma, T. Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach J Chem Inf Model, 57:2996-3010, 2017 Cited by PubMed: 29111719 DOI: 10.1021/acs.jcim.7b00110 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation