2FL6

crystal structure of KSP in complex with inhibitor 6

Summary for 2FL6

• Entry DOI: 10.2210/pdb2fl6/pdb
• Related: 2FKY 2FL2
• Descriptor: Kinesin-like protein KIF11, MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE, ... (5 entities in total)
• Functional Keywords: ksp, ksp-inhibitor complex, cell cycle
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P52732
• Total number of polymer chains: 2
• Total formula weight: 83408.50

Authors

Yan, Y. (deposition date: 2006-01-05, release date: 2006-02-07, Last modification date: 2024-02-14)

Primary citation

Fraley, M.E.,Garbaccio, R.M.,Arrington, K.L.,Hoffman, W.F.,Tasber, E.S.,Coleman, P.J.,Buser, C.A.,Walsh, E.S.,Hamilton, K.,Fernandes, C.,Schaber, M.D.,Lobell, R.B.,Tao, W.,South, V.J.,Yan, Y.,Kuo, L.C.,Prueksaritanont, T.,Shu, C.,Torrent, M.,Heimbrook, D.C.,Kohl, N.E.,Huber, H.E.,Hartman, G.D.
Kinesin spindle protein (KSP) inhibitors. Part 2: the design, synthesis, and characterization of 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP.
Bioorg.Med.Chem.Lett., 16:1775-1779, 2006

PubMed Abstract: The evolution of 2,4-diaryl-2,5-dihydropyrroles as inhibitors of KSP is described. Introduction of basic amide and urea moieties to the dihydropyrrole nucleus enhanced potency and aqueous solubility, simultaneously, and provided compounds that caused mitotic arrest of A2780 human ovarian carcinoma cells with EC(50)s<10nM. Ancillary hERG activity was evaluated for this series of inhibitors.

PubMed: 16439123
DOI: 10.1016/j.bmcl.2006.01.030

Experimental method

X-RAY DIFFRACTION (2.5 Å)