PDBsum entry 6tgu

Transferase

PDB id: 6tgu

Contents

Protein chain

327 a.a.

Ligands

N92

EDO ×7

Waters ×432

References listed in PDB file

Key reference

• Title: Structural and mechanistic basis of the inhibitory potency of selected 2-Aminothiazole compounds on protein kinase ck2.
• Authors: D.Lindenblatt, A.Nickelsen, V.M.Applegate, J.Jose, K.Niefind.
• Ref.: J Med Chem, 2020, 63, 7766-7772. [DOI no: 10.1021/acs.jmedchem.0c00587]
• PubMed id: 32589844

Abstract

Selective inhibitors of protein kinase CK2 with significant cytotoxicity on tumor cells based on a 2-aminothiazole scaffold were described recently. Here, these studies are supplemented with representative CK2α/CK2α' complex structures. They reveal that the 2-aminothiazole-based inhibitors occupy the ATP cavity, whereas preliminary data had indicated an allosteric binding site. The crystal structure findings are corroborated by subsequent enzyme kinetic studies; their atomic-resolution quality provides the basis for future optimization of these promising CK2 inhibitors.

Secondary reference #1

• Title: Diacritic binding of an indenoindole inhibitor by ck2α paralogs explored by a reliable path to atomic resolution ck2α' Structures.
• Authors: D.Lindenblatt, A.Nickelsen, V.M.Applegate, J.Hochscherf, B.Witulski, Z.Bouaziz, C.Marminon, M.Bretner, M.Le borgne, J.Jose, K.Niefind.
• Ref.: ACS Omega, 2019, 4, 5471-5478. [DOI no: 10.1021/acsomega.8b03415]
• PubMed id: 31559376