Current Opinion in Structural Biology

Article	Citations
How do intrinsically disordered protein regions encode a driving force for liquid–liquid phase separation?	169
Cryo-EM structures of tau filaments	168
Toward better drug discovery with knowledge graph	113
Physics-based computational and theoretical approaches to intrinsically disordered proteins	102
NEDD8 and ubiquitin ligation by cullin-RING E3 ligases	94
Advances in machine learning for directed evolution	90
Respiratory complex I — structure, mechanism and evolution	82
Deep learning techniques have significantly impacted protein structure prediction and protein design	78
Ancestral sequence reconstruction for protein engineers	78
Principles of nucleosome recognition by chromatin factors and enzymes	77
Recent results in time resolved serial femtosecond crystallography at XFELs	77
Intrinsic dynamics is evolutionarily optimized to enable allosteric behavior	75
Recent advances in glycoinformatic platforms for glycomics and glycoproteomics	74
Serial synchrotron crystallography for time-resolved structural biology	69
Amyloid aggregation simulations: challenges, advances and perspectives	68
Allosteric drugs and mutations: chances, challenges, and necessity	68
Glycan structures and their interactions with proteins. A NMR view	67
Recent trends in peptide and protein-based hydrogels	62
NMR illuminates intrinsic disorder	60
Deep learning approaches for de novo drug design: An overview	60
Cryo-electron microscopy analysis of small membrane proteins	60
Graph neural network approaches for drug-target interactions	57
Recent progress in molecular simulation methods for drug binding kinetics	56
Adaptive machine learning for protein engineering	55
Enzyme evolution and the temperature dependence of enzyme catalysis	55

Designing better enzymes: Insights from directed evolution	53
Molecular dynamics simulations of DNA–DNA and DNA–protein interactions	53
Structural features of activated GPCR signaling complexes	52
Artificial intelligence challenges for predicting the impact of mutations on protein stability	50
Structure and function of naturally evolved de novo proteins	50
Epistasis and intramolecular networks in protein evolution	50
Overview of the centriole architecture	50
How the centriole builds its cilium: of mothers, daughters, and the acquisition of appendages	49
Structure and function of adenylyl cyclases, key enzymes in cellular signaling	48
AlphaFold illuminates half of the dark human proteins	46
Harder, better, faster, stronger: Large-scale QM and QM/MM for predictive modeling in enzymes and proteins	45
Beyond structure: emerging approaches to study GPCR dynamics	45
Structural basis of CRISPR-Cas Type III prokaryotic defence systems	44
Deep generative modeling for protein design	44
Everything is connected: Graph neural networks	43
Developments in solution-state NMR yield broader and deeper views of the dynamic ensembles of nucleic acids	43
Order through disorder: The role of intrinsically disordered regions in transcription factor binding specificity	42
How low can we go? Structure determination of small biological complexes using single-particle cryo-EM	41
Spike-heparan sulfate interactions in SARS-CoV-2 infection	41
Dynamic multivalent interactions of intrinsically disordered proteins	40
New insights into no-go, non-stop and nonsense-mediated mRNA decay complexes	40
Structural basis of ergothioneine biosynthesis	39
Structure and unique mechanical aspects of nuclear lamin filaments	39
Web-based tools for computational enzyme design	39
Biophysical studies of phase separation integrating experimental and computational methods	39
Functional and pathological amyloid structures in the eyes of 2020 cryo-EM	39
Protein-complex stability in cells and in vitro under crowded conditions	38
Structural variations of photosystem I-antenna supercomplex in response to adaptations to different light environments	38
Computational design of novel protein–protein interactions – An overview on methodological approaches and applications	38
Advances in computational structure-based antibody design	38
Practically useful protein-design methods combining phylogenetic and atomistic calculations	37
Structure of respiratory complex I – An emerging blueprint for the mechanism	37
Evolution, folding, and design of TIM barrels and related proteins	36
Modeling conformational states of proteins with AlphaFold	36
Mechanisms of substrate recognition by the 26S proteasome	36
Histone chaperone FACT FAcilitates Chromatin Transcription: mechanistic and structural insights	36
Structural basis for PRC2 engagement with chromatin	36
Advances to tackle backbone flexibility in protein docking	36
Multicolor single-molecule FRET for DNA and RNA processes	35
Structure-based drug design with geometric deep learning	35
Histone tails as signaling antennas of chromatin	34
Centrosome organization and functions	34
Structural biology of endogenous membrane protein assemblies in native nanodiscs	34
Advances in the study of GPCRs by 19F NMR	34
Towards gaining sight of multiscale events: utilizing network models and normal modes in hybrid methods	33
Glycoproteomics: growing up fast	33
Surfing the wave of oxyfunctionalization chemistry by engineering fungal unspecific peroxygenases	33
Artificial intelligence techniques for integrative structural biology of intrinsically disordered proteins	33
Stopping the beating heart of cancer: KRAS reviewed	33
Exploring protein conformations in vitro and in cell with EPR distance measurements	32

Advances in menaquinone biosynthesis: sublocalisation and allosteric regulation	32
Progress at protein structure prediction, as seen in CASP15	32
DNA methylation: Precise modulation of chromatin structure and dynamics	32
Building ubiquitination machineries: E3 ligase multi-subunit assembly and substrate targeting by PROTACs and molecular glues	32
The role of water in ligand binding	32
Post-translational modification of RAS proteins	31
Systematic design of biomolecular force fields	31
RUVBL1–RUVBL2 AAA-ATPase: a versatile scaffold for multiple complexes and functions	31
Illuminating the complexity of GPCR pathway selectivity – advances in biosensor development	31
Phase separation in transcription factor dynamics and chromatin organization	31
Computational methods to predict protein aggregation	30
Protein folding stability and binding interactions through the lens of evolution: a dynamical perspective	30
Allostery of multidomain proteins with disordered linkers	29
Monitoring and modulating O-GlcNAcylation: assays and inhibitors of O-GlcNAc processing enzymes	29
Challenges in protein docking	29
Principles of SARS-CoV-2 glycosylation	29
Structure and engineering of tandem repeat lectins	29
Artificial protein cages – inspiration, construction, and observation	29
Centrosomes in mitotic spindle assembly and orientation	29
Data-driven computational protein design	29
AAA+ ATPases: structural insertions under the magnifying glass	29
The ugly, bad, and good stories of large-scale biomolecular simulations	29
Ras assemblies and signaling at the membrane	28
Elucidating molecular mechanisms of functional conformational changes of proteins via Markov state models	28
Centrosomes in disease: how the same music can sound so different?	28
Uncovering post-translational modification-associated protein–protein interactions	28
Recent developments in empirical atomistic force fields for nucleic acids and applications to studies of folding and dynamics	28
Nucleosome positioning and chromatin organization	28
Liquid-like chromatin in the cell: What can we learn from imaging and computational modeling?	27
Recent advances and current trends in cryo-electron microscopy	27
Emerging structural insights into GPCR–β-arrestin interaction and functional outcomes	27
What do we know about DNA mechanics so far?	27
Unifying coarse-grained force fields for folded and disordered proteins	27
P4-ATPases: how an old dog learnt new tricks — structure and mechanism of lipid flippases	26
RNA helicases are hubs that orchestrate exosome-dependent 3′–5′ decay	26
AlphaFold2 protein structure prediction: Implications for drug discovery	26
Accessorizing the centrosome: new insights into centriolar appendages and satellites	26
Winning the numbers game in enzyme evolution – fast screening methods for improved biotechnology proteins	26
Machine learned coarse-grained protein force-fields: Are we there yet?	26
Artificial intelligence in multi-objective drug design	25
Modes of allosteric regulation of the ubiquitination machinery	25
Allostery in membrane proteins	25
Transcription factor binding kinetics and transcriptional bursting: What do we really know?	25
Allosteric regulation of CRISPR-Cas9 for DNA-targeting and cleavage	25
Recent advances in predicting protein–protein interactions with the aid of artificial intelligence algorithms	25
Advances in optimizing enzyme electrostatic preorganization	25
Novel nucleocytoplasmic protein O-fucosylation by SPINDLY regulates diverse developmental processes in plants	24
Emerging patterns of tyrosine sulfation and O-glycosylation cross-talk and co-localization	24
The mannose receptor ligands and the macrophage glycome	24
Allostery in C-type lectins	24
Mannosidase mechanism: at the intersection of conformation and catalysis	24
Fragment molecular orbital calculations for biomolecules	23
Generative deep learning for macromolecular structure and dynamics	23
Structural biology of RNA-binding proteins in the context of phase separation: What NMR and EPR can bring?	23
Ton motor complexes	23
Glycan utilization systems in the human gut microbiota: a gold mine for structural discoveries	23
Molecular dynamics simulations to understand glycosaminoglycan interactions in the free- and protein-bound states	23
Megadalton chromatin remodelers: common principles for versatile functions	23
Regulation of the multisubunit CCR4-NOT deadenylase in the initiation of mRNA degradation	23
The structure of the γ-TuRC: a 25-years-old molecular puzzle	22
Protein structural dynamics by Magic-Angle Spinning NMR	22
Protein topology and allostery	22
Probing membrane protein–lipid interactions	22
Engineering Cas9 for human genome editing	22
Antibody recognition of bacterial surfaces and extracellular polysaccharides	22
Design and engineering of allosteric communications in proteins	22
Small molecule protein binding to correct cellular folding or stabilize the native state against misfolding and aggregation	22
Protein assembly and crowding simulations	22
An integrated view of p53 dynamics, function, and reactivation	21
Cryo-EM snapshots of the human spliceosome reveal structural adaptions for splicing regulation	21
Structure-based mechanistic insights into catalysis by tRNA thiolation enzymes	21
Computational structure modeling for diverse categories of macromolecular interactions	21
Local resolution estimates of cryoEM reconstructions	21
Recent advances in single-molecule fluorescence microscopy render structural biology dynamic	21
Enzyme promiscuity of carbohydrate active enzymes and their applications in biocatalysis	21
Dynamical spectroscopy and microscopy of proteins in cells	20
Constant pH molecular dynamics simulations: Current status and recent applications	20
Structural studies of the spliceosome: Bridging the gaps	20
Nucleosome unwrapping and unstacking	20
Design principles of protein switches	20

Herpesvirus membrane fusion – a team effort	19
Quantitative characterization of O-GalNAc glycosylation	19
Deep learning methods for 3D structural proteome and interactome modeling	19
Unraveling linker histone interactions in nucleosomes	19
Mass spectrometry hybridized with gas-phase InfraRed spectroscopy for glycan sequencing	19
Methodological uncertainties in drug-receptor binding free energy predictions based on classical molecular dynamics	19
Structural overview of macromolecular machines involved in ribosome biogenesis	19
TADs: Dynamic structures to create stable regulatory functions	18
Chemical language models for de novo drug design: Challenges and opportunities	18
Structures and consequences of pioneer factor binding to nucleosomes	18
Microfluidics and the quantification of biomolecular interactions	18
SOD1 oligomers in amyotrophic lateral sclerosis	18
Unraveling protein’s structural dynamics: from configurational dynamics to ensemble switching guides functional mesoscale assemblies	18
Modeling glycosaminoglycan–protein complexes	18
Docking approaches for modeling multi-molecular assemblies	18
Halogenases: structures and functions	18
Membrane protein folding and quality control	18
High throughput and quantitative enzymology in the genomic era	18
Deep learning for reconstructing protein structures from cryo-EM density maps: Recent advances and future directions	18
Implications of disease-related mutations at protein–protein interfaces	18