2UYI

Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 33

Summary for 2UYI

Entry DOI	10.2210/pdb2uyi/pdb
Related	1II6 1Q0B 1X88 1YRS 2FKY 2FL2 2FL6 2G1Q 2GM1
Descriptor	KINESIN-LIKE PROTEIN KIF11, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... (5 entities in total)
Functional Keywords	ksp, eg5, complex, mitosis, thiophene, inhibitor, nucleotide-binding, kinesin spindle protein, motor protein, cell division, phosphorylation, cell cycle, microtubule, coiled coil, atp-binding
Biological source	HOMO SAPIENS (HUMAN)
Cellular location	Cytoplasm: P52732
Total number of polymer chains	2
Total formula weight	83767.25
Authors	Lee, T.T. (deposition date: 2007-04-07, release date: 2007-05-22, Last modification date: 2024-05-08)
Primary citation	Pinkerton, A.B.,Lee, T.T.,Hoffman, T.Z.,Wang, Y.,Kahraman, M.,Cook, T.G.,Severance, D.,Gahman, T.C.,Noble, S.A.,Shiau, A.K.,Davis, R.L. Synthesis and Sar of Thiophene Containing Kinesin Spindle Protein (Ksp) Inhibitors. Bioorg.Med.Chem.Lett., 17:3562-, 2007 Cited by PubMed Abstract: We have identified and synthesized a series of thiophene containing inhibitors of kinesin spindle protein. SAR studies led to the synthesis of 33, which was co-crystallized with KSP and determined to bind to an allosteric pocket previously described for other known KSP inhibitors. PubMed: 17498954 DOI: 10.1016/J.BMCL.2007.04.076 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation