2Q2Z

Crystal Structure of KSP in Complex with Inhibitor 22

Summary for 2Q2Z

• Entry DOI: 10.2210/pdb2q2z/pdb
• Related: 2Q2Y
• 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: 83680.94

Authors

Yan, Y. (deposition date: 2007-05-29, release date: 2007-09-18, Last modification date: 2024-02-21)

Primary citation

Roecker, A.J.,Coleman, P.J.,Mercer, S.P.,Schreier, J.D.,Buser, C.A.,Walsh, E.S.,Hamilton, K.,Lobell, R.B.,Tao, W.,Diehl, R.E.,South, V.J.,Davide, J.P.,Kohl, N.E.,Yan, Y.,Kuo, L.C.,Li, C.,Fernandez-Metzler, C.,Mahan, E.A.,Prueksaritanont, T.,Hartman, G.D.
Kinesin spindle protein (KSP) inhibitors. Part 8: Design and synthesis of 1,4-diaryl-4,5-dihydropyrazoles as potent inhibitors of the mitotic kinesin KSP.
Bioorg.Med.Chem.Lett., 17:5677-5682, 2007

PubMed Abstract: Inspired by previous efforts in the pyrazolobenzoxazine class of KSP inhibitors, the design and synthesis of 1,4-diaryl-4,5-dihydropyrazole inhibitors of KSP are described. Crystallographic evidence of binding mode and in vivo potency data is also highlighted.

PubMed: 17766111
DOI: 10.1016/j.bmcl.2007.07.074

Experimental method

X-RAY DIFFRACTION (3 Å)