2PG2

Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 15

Summary for 2PG2

Entry DOI	10.2210/pdb2pg2/pdb
Descriptor	Kinesin-like protein KIF11, MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE, ... (5 entities in total)
Functional Keywords	kinesin spindle protein; ksp; eg5; complex; inhibitor; thiophene, motor protein, cell cycle
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: P52732
Total number of polymer chains	2
Total formula weight	83739.19
Authors	Lee, T.T. (deposition date: 2007-04-06, release date: 2007-06-05, Last modification date: 2023-08-30)
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., 17:3562-3569, 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 (1.849 Å)

Structure validation