<p>Enzyme catalysis is an efficient and green water treatment technology. However, the inherent vulnerability of natural enzymes makes it difficult for them to survive under harsh conditions, and enzyme immobilization technology has emerged. Among the various carriers, metal–organic frameworks (MOFs) offer flexible structural tunability and excellent multifunctionality, making them ideal for enzyme immobilization. However, the stability of most MOFs often depends on their harsh synthesis conditions. Therefore, to meet the diverse demands within the field of environmental science, it is often necessary to modify the fundamental building blocks such as atoms, molecules, and nanomaterials, and optimise these materials according to the specific properties required. Various novel functionalities are created based on balancing enzyme activity and MOFs stability.This review provides a comprehensive overview of the preparation of enzyme–MOFs complexes from both post–synthesis and in situ encapsulation perspectives. The effects of metal sources, organic ligands, enzyme molecules, and medium environment on the morphology and catalytic properties of enzyme–MOFs are highlighted in conjunction with recent examples. Further, on the basis of catalytic activity and water stability, the special properties of the enzyme–MOFs complexes, such as antimicrobial and magnetic properties, are systematically described. Their applications in the treatment of wastewater from dyes, antibiotics and phenolics are also summarized. By analyzing the related opportunities and future challenges of enzyme–MOFs complexes, important insights are provided for their further development in the field of water treatment.</p> Graphical Abstract <p></p>