Post-translational modifications in the Protein Data Bank

This review explores the importance of post-translational modifications (PTMs) in the Protein Data Bank and identifies examples of well modelled PTMs.

Surface-mutagenesis strategies to enable structural biology crystallization platforms

Successful crystallographic structure-based drug-discovery (SBDD) support of early-stage pharmaceutical research programs requires the timely establishment of a robust crystallization system for the target protein. This enables structure determination of early high-throughput screening or fragment-screening hits, in turn maximizing the impact of SBDD on hit optimization. Here, a collection of complementary case studies are presented that demonstrate typical strategies to achieve this goal.

Structural analysis of a ligand-triggered intermolecular di­sulfide switch in a major latex protein from opium poppy

Crystal structures of two cysteine-to-serine mutants of PR10-10 help to reveal how a ligand-induced conformational change is coupled to the formation of intermolecular disulfide bonds in plant pathogenesis-related family 10 proteins involved in the biosynthesis of benzylisoquinoline alkaloids.

Comparison of two crystal polymorphs of NowGFP reveals a new conformational state trapped by crystal packing

Structures of NowGFP obtained from two distinct crystal forms were compared and a new conformational state captured by crystal packing was identified.

Microcrystal electron diffraction structure of Toll-like receptor 2 TIR-domain-nucleated MyD88 TIR-domain higher-order assembly

This study addresses the structural basis of TIR-domain-mediated signal transduction in Toll-like receptor 2 pathways. It is demonstrated that TLR2, but not TLR1 or TLR6, TIR domains induce the formation of MyD88 TIR-domain assemblies in vitro. The MicroED structure of TLR2-induced MyD88 TIR assemblies determined at 2.85 Å resolution highlights conformational changes that are crucial for signaling and provides evidence that TLR2 can directly interact with MyD88 to initiate TLR signaling.