Reasonable utilization of natural resource and protection of ecological environment is the foundation for implementing agricultural sustainable development. Biodiversity research and protection are becoming an important issue concerned commonly in the world. Crop disease is one of the important natural disasters for food production and safety, and is also one of the main reasons that confine sustainable development of agricultural production. Large-scale deployment of single highly resistant variety results in reduction of agro-biodiversity level. In this case, excessive loss of agro-biodiversity has become the main challenge in sustainable agriculture. Biodiversity can not only effectively alleviate disease incidence and loss of crop production, but also reduce pollution of agricultural ecological environment caused by excessive application of pesticides and fertilizers to the agricultural ecological environment. Discovery of the mechanism of biodiversity to control crop diseases can reasonably guide the rational deployment and rotation of different crops and establish optimization combinations of different crops. This review summarizes recent advances of research on molecular, physiological, and ecological mechanisms of biodiversity managing crop diseases, and proposes some research that needs to be strengthened in the future.