The structures of machine tools used nowadays require improvement for achieving the sustainability of manufacturing in terms of functionality, cost, and energy consumption. This study deals with the optimal design problem formulation for improving the kinematic design of machine tools having hybrid kinematic structures (i.e., structures having both serial and parallel kinematic mechanisms). The solutions for overcoming such challenges as 1) size of workspace, 2) shape of workspace, 3) enhancement of dexterity, and 4) compactness of the machine are presented. The mobility of over-constrained parallel and hybrid kinematic structures is also discussed. Throughout the article, examples are cited for the sake of better understanding.