Structure

Article	Citations
The Architecture of Inactivated SARS-CoV-2 with Postfusion Spikes Revealed by Cryo-EM and Cryo-ET	146
Malleability of the SARS-CoV-2 3CL Mpro Active-Site Cavity Facilitates Binding of Clinical Antivirals	111
A Global Ramachandran Score Identifies Protein Structures with Unlikely Stereochemistry	110
An expanded benchmark for antibody-antigen docking and affinity prediction reveals insights into antibody recognition determinants	71
Protein language-model embeddings for fast, accurate, and alignment-free protein structure prediction	66
Need for Speed: Examining Protein Behavior during CryoEM Grid Preparation at Different Timescales	64
Multi-scale 3D Cryo-Correlative Microscopy for Vitrified Cells	61
The accuracy of protein structures in solution determined by AlphaFold and NMR	59
Functional and Regulatory Roles of Fold-Switching Proteins	57
Cryo-EM Structure of K+-Bound hERG Channel Complexed with the Blocker Astemizole	56
Leveraging crosslinking mass spectrometry in structural and cell biology	53
Predictable cholesterol binding sites in GPCRs lack consensus motifs	50
Structural basis for accommodation of emerging B.1.351 and B.1.1.7 variants by two potent SARS-CoV-2 neutralizing antibodies	45
Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease	45
High-Resolution Cryo-EM Structure of the Cardiac Actomyosin Complex	45
Toward Increased Reliability, Transparency, and Accessibility in Cross-linking Mass Spectrometry	43
Structure and immune recognition of the porcine epidemic diarrhea virus spike protein	43
Benchmarking AlphaFold2 on peptide structure prediction	42
Small, but powerful and attractive: 19F in biomolecular NMR	40
Evolving cryo-EM structural approaches for GPCR drug discovery	39
Cryo-EM and artificial intelligence visualize endogenous protein community members	39
High-resolution crystal structures of transient intermediates in the phytochrome photocycle	38
Cryo-EM Structure of the Prostaglandin E Receptor EP4 Coupled to G Protein	34
The structural heterogeneity of α-synuclein is governed by several distinct subpopulations with interconversion times slower than milliseconds	34
Unveiling the polarity of actin filaments by cryo-electron tomography	34

Cryo-EM structure and resistance landscape of M. tuberculosis MmpL3: An emergent therapeutic target	33
Conformational flexibility and structural variability of SARS-CoV2 S protein	32
Macromolecular refinement of X-ray and cryoelectron microscopy structures with Phenix/OPLS3e for improved structure and ligand quality	32
A2A Adenosine Receptor Partial Agonism Related to Structural Rearrangements in an Activation Microswitch	31
A drug and ATP binding site in type 1 ryanodine receptor	31
Structure of the human secretory immunoglobulin M core	31
Enhanced validation of small-molecule ligands and carbohydrates in the Protein Data Bank	31
Monitoring the antibiotic darobactin modulating the β-barrel assembly factor BamA	30
A Structural Guide to the Bloom Syndrome Complex	29
Cryoelectron-Microscopic Structure of the pKpQIL Conjugative Pili from Carbapenem-Resistant Klebsiella pneumoniae	29
Serial cryoFIB/SEM Reveals Cytoarchitectural Disruptions in Leigh Syndrome Patient Cells	29
Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing	29
Structural characterization of the Myxococcus xanthus encapsulin and ferritin-like cargo system gives insight into its iron storage mechanism	28
Allosteric perspective on the mutability and druggability of the SARS-CoV-2 Spike protein	28
In situ structure of the AcrAB-TolC efflux pump at subnanometer resolution	28
B-Raf autoinhibition in the presence and absence of 14-3-3	27
Molecular architecture and dynamics of SARS-CoV-2 envelope by integrative modeling	27
How do antiporters exchange substrates across the cell membrane? An atomic-level description of the complete exchange cycle in NarK	26
Open-access data: A cornerstone for artificial intelligence approaches to protein structure prediction	26
Exploring protein-protein interactions at the proteome level	25
Structure of Anabaena flos-aquae gas vesicles revealed by cryo-ET	25
Structures and target RNA preferences of the RNA-binding protein family of IGF2BPs: An overview	25
Dimeric Structure of the Pseudokinase IRAK3 Suggests an Allosteric Mechanism for Negative Regulation	25
Binding of the SARS-CoV-2 envelope E protein to human BRD4 is essential for infection	25
The hitchhiker's guide to the periplasm: Unexpected molecular interactions of polymyxin B1 in E. coli	25
High-resolution structure of the membrane-embedded skeletal muscle ryanodine receptor	24
Recent advances in small-angle scattering and its expanding impact in structural biology	24
How insulin-like growth factor I binds to a hybrid insulin receptor type 1 insulin-like growth factor receptor	24
Structural mechanism underlying ligand binding and activation of PPARγ	24
Structure of the Arabidopsis Glutamate Receptor-like Channel GLR3.2 Ligand-Binding Domain	24
Frozen in time: analyzing molecular dynamics with time-resolved cryo-EM	24
Soft X-ray tomography to map and quantify organelle interactions at the mesoscale	23
Nucleotide Binding, Evolutionary Insights, and Interaction Partners of the Pseudokinase Unc-51-like Kinase 4	23
Conformational change of α-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson’s disease	22
Structure of the human UBR5 E3 ubiquitin ligase	22
Refolding of lid subdomain of SARS-CoV-2 nsp14 upon nsp10 interaction releases exonuclease activity	22
A monoclonal antibody against staphylococcal enterotoxin B superantigen inhibits SARS-CoV-2 entry in vitro	22
Atomic insights into ML-SI3 mediated human TRPML1 inhibition	22
Llamanade: An open-source computational pipeline for robust nanobody humanization	22
A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins	21
Slow conformational dynamics of the human A2A adenosine receptor are temporally ordered	21
Structural interactions define assembly adapter function of a type II secretion system pseudopilin	21
Crystal structure of human PACRG in complex with MEIG1 reveals roles in axoneme formation and tubulin binding	21
Uncovering cryptic pockets in the SARS-CoV-2 spike glycoprotein	21
Unique Structural Features of Mammalian NEIL2 DNA Glycosylase Prime Its Activity for Diverse DNA Substrates and Environments	21
Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE2	20
CryoEM structures of pseudouridine-free ribosome suggest impacts of chemical modifications on ribosome conformations	20
Rieske head domain dynamics and indazole-derivative inhibition of Candida albicans complex III	20
Binding of Ca2+-independent C2 domains to lipid membranes: A multi-scale molecular dynamics study	20
Structure of the Extracellular Region of the Bacterial Type VIIb Secretion System Subunit EsaA	19

Modeling of protein conformational changes with Rosetta guided by limited experimental data	19
Improving particle quality in cryo-EM analysis using a PEGylation method	19
Native Mass Spectrometry-Based Screening for Optimal Sample Preparation in Single-Particle Cryo-EM	19
High-resolution mapping of metal ions reveals principles of surface layer assembly in Caulobacter crescentus cells	19
Assessing PDB macromolecular crystal structure confidence at the individual amino acid residue level	18
Structural analysis of the architecture and in situ localization of the main S-layer complex in Deinococcus radiodurans	18
Cryo-EM structure of an open conformation of a gap junction hemichannel in lipid bilayer nanodiscs	18
Structural basis for the association of PLEKHA7 with membrane-embedded phosphatidylinositol lipids	18
Structural determinants of multimerization and dissociation in 2-Cys peroxiredoxin chaperone function	18
Signaling Mechanism of Phytochromes in Solution	18
Extracellular domain of PepT1 interacts with TM1 to facilitate substrate transport	18
Interplay between hevin, SPARC, and MDGAs: Modulators of neurexin-neuroligin transsynaptic bridges	18
Structure of the peripheral arm of a minimalistic respiratory complex I	17
Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome	17
Quantitative mining of compositional heterogeneity in cryo-EM datasets of ribosome assembly intermediates	17
Super-resolution imaging reveals cytoskeleton-dependent organelle rearrangement within platelets at intermediate stages of maturation	17
Structure of an inactive conformation of GTP-bound RhoA GTPase	17
Clamping, bending, and twisting inter-domain motions in the misfold-recognizing portion of UDP-glucose: Glycoprotein glucosyltransferase	17
Structures of oxysterol sensor EBI2/GPR183, a key regulator of the immune response	17
A conformational change in the N terminus of SLC38A9 signals mTORC1 activation	17
HDX-MS-optimized approach to characterize nanobodies as tools for biochemical and structural studies of class IB phosphoinositide 3-kinases	17
Cryo-EM structure of the cytosolic AhR complex	17
Disease-linked mutations cause exposure of a protein quality control degron	16
Thermodynamic analysis of amyloid fibril structures reveals a common framework for stability in amyloid polymorphs	16
Dual mechanisms of cholesterol-GPCR interactions that depend on membrane phospholipid composition	16
Structural insights into the activity regulation of full-length non-structural protein 1 from SARS-CoV-2	16
Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors	16
Conformational changes and CO2-induced channel gating in connexin26	16
Structural and Functional Impact of SRP54 Mutations Causing Severe Congenital Neutropenia	16
Assembly principles of the human R2TP chaperone complex reveal the presence of R2T and R2P complexes	16
Cryo-EM Reveals Unanchored M1-Ubiquitin Chain Binding at hRpn11 of the 26S Proteasome	16
Pocket delipidation induced by membrane tension or modification leads to a structurally analogous mechanosensitive channel state	16
Investigating GIPR (ant)agonism: A structural analysis of GIP and its receptor	15
Structure of the RhlR-PqsE complex from Pseudomonas aeruginosa reveals mechanistic insights into quorum-sensing gene regulation	15
Vaccine-elicited murine antibody WS6 neutralizes diverse beta-coronaviruses by recognizing a helical stem supersite of vulnerability	15
Structural basis of bacteriophage lambda capsid maturation	15
Redesigning HVEM Interface for Selective Binding to LIGHT, BTLA, and CD160	15
Ligand Incorporation into Protein Microcrystals for MicroED by On-Grid Soaking	15
Structural Basis of CYRI-B Direct Competition with Scar/WAVE Complex for Rac1	15
Cryo-EM structure of CtBP2 confirms tetrameric architecture	15
A nexus of intrinsic dynamics underlies translocase priming	15
Using cryo-EM to understand antimycobacterial resistance in the catalase-peroxidase (KatG) from Mycobacterium tuberculosis	14
Rational exploration of fold atlas for human solute carrier proteins	14
Structural characterization of KKT4, an unconventional microtubule-binding kinetochore protein	14
Architecture and assembly dynamics of the essential mitochondrial chaperone complex TIM9·10·12	14
Structural Basis for Toxin Inhibition in the VapXD Toxin-Antitoxin System	14
A Single-Molecule Surface-Based Platform to Detect the Assembly and Function of the Human RNA Polymerase II Transcription Machinery	14
Molecular structures of human ACAT2 disclose mechanism for selective inhibition	14
Structural basis for the initiation of COPII vesicle biogenesis	13
Structural basis of nanobodies neutralizing SARS-CoV-2 variants	13
Deamidation of the human eye lens protein γS-crystallin accelerates oxidative aging	13
Allosteric HIV Integrase Inhibitors Promote Formation of Inactive Branched Polymers via Homomeric Carboxy-Terminal Domain Interactions	13
Crystal structure of the Tspan15 LEL domain reveals a conserved ADAM10 binding site	13
Priming enzymes from the pikromycin synthase reveal how assembly-line ketosynthases catalyze carbon-carbon chemistry	13
Phosphorylation of RIAM by src promotes integrin activation by unmasking the PH domain of RIAM	13
Assessing the Structures and Interactions of γD-Crystallin Deamidation Variants	12
A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF	12
Evidence for a credit-card-swipe mechanism in the human PC floppase ABCB4	12
Structure-guided optimization of light-activated chimeric G-protein-coupled receptors	12
Structural basis for recruitment of the CHK1 DNA damage kinase by the CLASPIN scaffold protein	12
A “Drug Sweeping” State of the TriABC Triclosan Efflux Pump from Pseudomonas aeruginosa	12
Cryo-EM structure of a monomeric RC-LH1-PufX supercomplex with high-carotenoid content from Rhodobacter capsulatus	12
Simplified quality assessment for small-molecule ligands in the Protein Data Bank	12
Protein structure prediction using residue-resolved protection factors from hydrogen-deuterium exchange NMR	12
Structural evidence for visual arrestin priming via complexation of phosphoinositols	12
Structure of the ancient TRPY1 channel from Saccharomyces cerevisiae reveals mechanisms of modulation by lipids and calcium	12
Architecture of the bacteriophage lambda tail	12
The reduction of FIB damage on cryo-lamella by lowering energy of ion beam revealed by a quantitative analysis	11
Capturing the Conformational Ensemble of the Mixed Folded Polyglutamine Protein Ataxin-3	11
Structural analysis of mammalian protein phosphorylation at a proteome level	11
Single-particle cryo-EM analysis of the shell architecture and internal organization of an intact α-carboxysome	11
Biophysical Characterization of Pro-apoptotic BimBH3 Peptides Reveals an Unexpected Capacity for Self-Association	11
How aberrant N-glycosylation can alter protein functionality and ligand binding: An atomistic view	11
Mechanistic insight into light-dependent recognition of Timeless by Drosophila Cryptochrome	11
Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax	11
Redox-dependent structure and dynamics of macrophage migration inhibitory factor reveal sites of latent allostery	11
Discovery, structure, and function of filamentous 3-methylcrotonyl-CoA carboxylase	11
PDB-wide identification of physiological hetero-oligomeric assemblies based on conserved quaternary structure geometry	11
Structure and assembly pattern of a freshwater short-tailed cyanophage Pam1	11
Structural basis for the carotenoid binding and transport function of a START domain	11

Negative-Stain Electron Microscopy Reveals Dramatic Structural Rearrangements in Ni-Fe-S-Dependent Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase	11
Structure and interactions of the phloem lectin (phloem protein 2) Cus17 from Cucumis sativus	11
Cryo-EM structure of the Agrobacterium tumefaciens T-pilus reveals the importance of positive charges in the lumen	11
Structural insights into highly similar spatial organization of zinc-finger associated domains with a very low sequence similarity	11
CryoEM map of Pseudomonas aeruginosa PilQ enables structural characterization of TsaP	11
Structural study of the N-terminal domain of human MCM8/9 complex	11
Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain	11
Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives	11
Cohesin-dockerin code in cellulosomal dual binding modes and its allosteric regulation by proline isomerization	11
A unique leucine-valine adhesive motif supports structure and function of protein disulfide isomerase P5 via dimerization	11
Coordination of phage genome degradation versus host genome protection by a bifunctional restriction-modification enzyme visualized by CryoEM	10
Structure of V-ATPase from citrus fruit	10
Compressed sensing for electron cryotomography and high-resolution subtomogram averaging of biological specimens	10
Structures of drug-specific monoclonal antibodies bound to opioids and nicotine reveal a common mode of binding	10
Mechanisms of helicase activated DNA end resection in bacteria	10
Structure of the Human Cation-Independent Mannose 6-Phosphate/IGF2 Receptor Domains 7–11 Uncovers the Mannose 6-Phosphate Binding Site of Domain 9	10
Pathological polyQ expansion does not alter the conformation of the Huntingtin-HAP40 complex	10
The accuracy of NMR protein structures in the Protein Data Bank	10
NMR Structure and Dynamics Studies of Yeast Respiratory Supercomplex Factor 2	10
Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering	10
Discovery of isonucleotidic CDNs as potent STING agonists with immunomodulatory potential	10
A kink in DWORF helical structure controls the activation of the sarcoplasmic reticulum Ca2+-ATPase	10
Identification of an atypical interaction site in the BTB domain of the MYC-interacting zinc-finger protein 1	10
RCSB Protein Data Bank resources for structure-facilitated design of mRNA vaccines for existing and emerging viral pathogens	10
Structures of the holoenzyme TglHI required for 3-thiaglutamate biosynthesis	10
E6AP AZUL interaction with UBQLN1/2 in cells, condensates, and an AlphaFold-NMR integrated structure	10
Multi-site-specific isotopic labeling accelerates high-resolution structural investigations of pathogenic huntingtin exon-1	10
A comprehensive structural analysis of the ATPase domain of human DNA topoisomerase II beta bound to AMPPNP, ADP, and the bisdioxopiperazine, ICRF193	9
Molecular mechanisms underlying the role of the centriolar CEP164-TTBK2 complex in ciliopathies	9
Characterization of the Pilotin-Secretin Complex from the Salmonella enterica Type III Secretion System Using Hybrid Structural Methods	9
Room-temperature structural studies of SARS-CoV-2 protein NendoU with an X-ray free-electron laser	9
IPRO+/−: Computational Protein Design Tool Allowing for Insertions and Deletions	9
ATP-competitive and allosteric inhibitors induce differential conformational changes at the autoinhibitory interface of Akt1	9
Accurate modeling of peptide-MHC structures with AlphaFold	9
Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway	9
De novo Fc-based receptor dimerizers differentially modulate PlexinB1 function	9
Cryo-EM structure of the Agrobacterium tumefaciens T4SS-associated T-pilus reveals stoichiometric protein-phospholipid assembly	9
Tsg101/ESCRT-I recruitment regulated by the dual binding modes of K63-linked diubiquitin	9
The respiratory supercomplex from C. glutamicum	9
Nde1 is a Rab9 effector for loading late endosomes to cytoplasmic dynein motor complex	9
Structural Insight into Binding of the ZZ Domain of HERC2 to Histone H3 and SUMO1	9
Artificial neural networks for solution scattering data analysis	9
Integrative approaches in genome structure analysis	9
Paratope states in solution improve structure prediction and docking	9
Cross-linking and mass spectrometry as a tool for studying the structural biology of ribonucleoproteins	9
Cryo-EM structures and biochemical insights into heterotrimeric PCNA regulation of DNA ligase	9
The active DNA-PK holoenzyme occupies a tensed state in a staggered synaptic complex	9
Structural and functional characterization of the N-terminal acetyltransferase Naa50	9
Structural insights into the interplay of protein biogenesis factors with the 70S ribosome	9
Modulation of adenosine A2a receptor oligomerization by receptor activation and PIP2 interactions	9
Computational and biochemical analysis of type IV pilus dynamics and stability	8
Structure, dynamics, and function of PsDef2 defensin from Pinus sylvestris	8
Computational studies of the principle of dynamic-change-driven protein interactions	8
Structural basis for the catalytic activity of filamentous human serine beta-lactamase-like protein LACTB	8
Cooperative mechanics of PR65 scaffold underlies the allosteric regulation of the phosphatase PP2A	8
Structures of Ric-8B in complex with Gα protein folding clients reveal isoform specificity mechanisms	8
Cullin-independent recognition of HHARI substrates by a dynamic RBR catalytic domain	8
A model of full-length RAGE in complex with S100B	8
Mechanism of negative membrane curvature generation by I-BAR domains	8
Quantitative structural analysis of influenza virus by cryo-electron tomography and convolutional neural networks	8
Transmembrane dimers of type 1 receptors sample alternate configurations: MD simulations using coarse grain Martini 3 versus AlphaFold2 Multimer	8
Cryo-EM structures of human fucosidase FucA1 reveal insight into substrate recognition and catalysis	8
Structure and regulation of the microtubule plus-end tracking protein Kar9	8
Molecular insights into peptide agonist engagement with the PTH receptor	8
Structure and thermodynamics of transient protein-protein complexes by chemometric decomposition of SAXS datasets	8
Structural basis for tunable affinity and specificity of LxCxE-dependent protein interactions with the retinoblastoma protein family	8
Molecular rules governing the structural polymorphism of amyloid fibrils in neurodegenerative diseases	8
Structure-based modeling and dynamics of MurM, a Streptococcus pneumoniae penicillin resistance determinant present at the cytoplasmic membrane	8
Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions	8
One bead per residue can describe all-atom protein structures	7
Chemical probing provides insight into the native assembly state of a bacterial microcompartment	7
Decoding the Functional Evolution of an Intramembrane Protease Superfamily by Statistical Coupling Analysis	7
Crystal structure of the human MUS81-EME2 complex	7
Computational modeling and prediction of deletion mutants	7
19F NMR: A promising tool for dynamic conformational studies of G protein-coupled receptors	7
Structures of FHOD1-Nesprin1/2 complexes reveal alternate binding modes for the FH3 domain of formins	7
Inhibition of Plasmodium falciparum phenylalanine tRNA synthetase provides opportunity for antimalarial drug development	7
Allosteric interference in oncogenic FLI1 and ERG transactions by mithramycins	7
Proteomic identification and structural basis for the interaction between sorting nexin SNX17 and PDLIM family proteins	7
Structure of the poxvirus decapping enzyme D9 reveals its mechanism of cap recognition and catalysis	7
Structure of the divergent human astrovirus MLB capsid spike	7
Triangulating variation in the population to define mechanisms for precision management of genetic disease	7
Cryo-EM structure of the EspA filament from enteropathogenic Escherichia coli: Revealing the mechanism of effector translocation in the T3SS	7
The guidance and adhesion protein FLRT2 dimerizes in cis via dual small-X3-small transmembrane motifs	7
The molecular basis of allostery in a facilitated dissociation process	7
Structural and dynamic insights into α-synuclein dimer conformations	7
Structural basis for the inhibition of coronaviral main proteases by ensitrelvir	7
Substrate-binding guides individual melibiose permeases MelB to structurally soften and to destabilize cytoplasmic middle-loop C3	7
Calmodulin binds to Drosophila TRP with an unexpected mode	7
Peptides from human BNIP5 and PXT1 and non-native binders of pro-apoptotic BAK can directly activate or inhibit BAK-mediated membrane permeabilization	6
Scaling up cryo-EM for biology and chemistry: The journey from niche technology to mainstream method	6
Amphipathic Motifs Regulate N-BAR Protein Endophilin B1 Auto-inhibition and Drive Membrane Remodeling	6
Catalytic cycling of human mitochondrial Lon protease	6
Crystal structure of the lipid flippase MurJ in a “squeezed” form distinct from its inward- and outward-facing forms	6
Cryo-EM study of patched in lipid nanodisc suggests a structural basis for its clustering in caveolae	6