3CJO

Crystal structure of KSP in complex with inhibitor 30

Summary for 3CJO

• Entry DOI: 10.2210/pdb3cjo/pdb
• Descriptor: Kinesin-like protein KIF11, MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE, ... (5 entities in total)
• Functional Keywords: ksp, ksp-inhibitor complex, atp-binding, cell cycle, cell division, coiled coil, microtubule, mitosis, motor protein, nucleotide-binding, phosphoprotein
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: P52732
• Total number of polymer chains: 2
• Total formula weight: 83670.79

Authors

Yan, Y. (deposition date: 2008-03-13, release date: 2008-07-01, Last modification date: 2023-08-30)

• Primary citation: Cox, C.D.,Coleman, P.J.,Breslin, M.J.,Whitman, D.B.,Garbaccio, R.M.,Fraley, M.E.,Buser, C.A.,Walsh, E.S.,Hamilton, K.,Schaber, M.D.,Lobell, R.B.,Tao, W.,Davide, J.P.,Diehl, R.E.,Abrams, M.T.,South, V.J.,Huber, H.E.,Torrent, M.,Prueksaritanont, T.,Li, C.,Slaughter, D.E.,Mahan, E.,Fernandez-Metzler, C.,Yan, Y.,Kuo, L.C.,Kohl, N.E.,Hartman, G.D.; Kinesin spindle protein (KSP) inhibitors. 9. Discovery of (2S)-4-(2,5-difluorophenyl)-n-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide (MK-0731) for the treatment of taxane-refractory cancer.; J.Med.Chem., 51:4239-4252, 2008; PubMed: 18578472; DOI: 10.1021/jm800386y

Experimental method

X-RAY DIFFRACTION (2.28 Å)