9R1W

PLK1 SURFACE ENTROPY REDUCTION (SER) MUTANT IN COMPLEX WITH THIAZOLIDINONE INHIBITOR COMPOUND 1

This is a non-PDB format compatible entry.

Summary for 9R1W

• Entry DOI: 10.2210/pdb9r1w/pdb
• Descriptor: Serine/threonine-protein kinase PLK1, (2~{Z})-2-cyano-2-[3-ethyl-5-[(~{E})-[2-[methyl-(1-methylpiperidin-4-yl)amino]pyridin-4-yl]iminomethyl]-4-oxidanylidene-1,3-thiazol-2-ylidene]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, SULFATE ION, ... (6 entities in total)
• Functional Keywords: surface entropy reduction, ser, small molecule inhibitor, drug design, kinase, serine/threonine-protein kinase, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 75212.22

Authors

Hillig, R.C.,Schulze, V.K.,Siemeister, G.,Schmitz, A.A.,Eberspaecher, U. (deposition date: 2025-04-28, release date: 2025-11-26)

• Primary citation: Eberspaecher, U.,Schmitz, A.A.,Siemeister, G.,Bomer, U.,Bandeiras, T.M.,Matias, P.M.,Schulze, V.K.,Hillig, R.C.; PLK1-Inhibitor Co-complex Structures via the Surface Entropy Reduction Approach and a DARPin-assisted Approach; Acta Crystallographica Section D, 81:-, 2025; DOI: 10.1107/S2059798325009325

Experimental method

X-RAY DIFFRACTION (2.2 Å)