3L9H

X-ray structure of mitotic kinesin-5 (KSP, KIF11, Eg5)in complex with the hexahydro-2H-pyrano[3,2-c]quinoline EMD 534085

Summary for 3L9H

• Entry DOI: 10.2210/pdb3l9h/pdb
• Descriptor: Kinesin-like protein KIF11, ADENOSINE-5'-DIPHOSPHATE, 1-[2-(dimethylamino)ethyl]-3-{[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl}urea, ... (4 entities in total)
• Functional Keywords: mitotic spindle kinesin, eg5, small molecule inhibitor, emd 534085, acetylation, atp-binding, cell cycle, cell division, coiled coil, microtubule, mitosis, motor protein, nucleotide-binding, phosphoprotein, polymorphism
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P52732
• Total number of polymer chains: 2
• Total formula weight: 83918.63

Authors

Knoechel, T. (deposition date: 2010-01-05, release date: 2010-03-02, Last modification date: 2024-03-20)

• Primary citation: Schiemann, K.,Finsinger, D.,Zenke, F.,Amendt, C.,Knochel, T.,Bruge, D.,Buchstaller, H.P.,Emde, U.,Stahle, W.,Anzali, S.; The discovery and optimization of hexahydro-2H-pyrano[3,2-c]quinolines (HHPQs) as potent and selective inhibitors of the mitotic kinesin-5.; Bioorg.Med.Chem.Lett., 20:1491-1495, 2010; PubMed: 20149654; DOI: 10.1016/j.bmcl.2010.01.110

Experimental method

X-RAY DIFFRACTION (2 Å)