In summary, these molecular knots with dynamic structures can be prepared by a simple self-assembly procedure and their remarkable structures can be well determined by X-ray crystallography. These dynamic behaviors of molecular knots can be monitored by experimental technologies and theoretical simulations, which is relevant for biological systems as proteins often form dynamic chiral knots in ways that we cannot grasp well. In all, the advancements in these tight molecular knots will help us to figure out the behaviors of proteins in biological systems.