Structure-based prediction of protein allostery

•The structure-based prediction of allostery will realise the potential of allostery.•Modern computational methods can help predict allosteric sites and pathways.•Cryptic binding pockets and designed allosteric proteins are exciting advances.•In the future we hope allostery is understood and prediction is achievable. Allostery is the functional change at one site on a protein caused by a change at a distant site. In order for the benefits of allostery to be taken advantage of, both for basic understanding of proteins and to develop new classes of drugs, the structure-based prediction of allosteric binding sites, modulators and communication pathways is necessary. Here we review the recently emerging field of allosteric prediction, focusing mainly on computational methods. We also describe the search for cryptic binding pockets and attempts to design allostery into proteins. The development and adoption of such methods is essential or the long-preached potential of allostery will remain elusive.