KAT6A–inhibitor co-crystal structures: tackling a challenging crystallization target via two alternative approaches

Puetter, V.; Bouché, L.; Nowak-Reppel, K.; Ferrara, S.J.; Gradl, S.N.; Korr, D.; Strathdee, C.A.; ter Laak, A.; Hillig, R.C.

doi:10.1107/S2059798326008545

Figure 5
Crystal structures of KAT6A inhibitors with quinoline groups. (a) Crystal structure of KAT6A^mutCys in complex with compound 1 at 2.7 Å resolution (PDB entry 29us; inhibitor shown with C atoms in orange; 2F_o − F_c electron-density map contoured at 1.3σ in blue). (b, c) Crystal structure of KAT8^mutant in complex with compound 2 at 1.4 Å resolution (PDB entry 29ut; inhibitor shown with C atoms in green; 2F_o − F_c electron-density map contoured at 1.3σ in blue). The labels A to C in green refer to the three alternative conformations of the quinoline moiety. (d) Superimposition of the KAT8^mutant–compound 2 complex (green) onto the KAT6A^mutCys–compound 1 complex (orange/grey). Dotted yellow lines indicate hydrogen bonds.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 82| Part 9| September 2026| Pages 1111-1124

https://doi.org/10.1107/S2059798326008545

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