The cell consists of many macromolecular assemblies, responsible for critical cellular processes such as nucleic acid synthesis, protein folding and degradation. Understanding the structure, interactions and dynamics of proteins within these complicated machines is the primary goal in targeted structural proteomics. However, detailed structure determination of assemblies remains challenging using a single experimental or computational approach. Integrative structure determination, which combines information from various sources, has gained particular interest in uncovering the molecular architectures of transient and highly heterogeneous protein complexes. In this review, the focus is on structural modelling obtained by integrating MS-based approaches with state-of-the-art computational approaches and tools. Moreover, recent developments and applications of integrative methods in structural biology are discussed and further explained how recent advances in MS-based techniques have added a new dimension in understanding protein complex structure and dynamics.
Department of Chemistry, University of Oxford, South Parks Road, Oxford, OX1 3QZ, United Kingdom.