(The TQCC of Structure is 11. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2020-07-01 to 2024-07-01.)
Performance and Its Limits in Rigid Body Protein-Protein Docking345
FARFAR2: Improved De Novo Rosetta Prediction of Complex Global RNA Folds145
The Architecture of Inactivated SARS-CoV-2 with Postfusion Spikes Revealed by Cryo-EM and Cryo-ET140
Malleability of the SARS-CoV-2 3CL Mpro Active-Site Cavity Facilitates Binding of Clinical Antivirals109
A Global Ramachandran Score Identifies Protein Structures with Unlikely Stereochemistry97
An expanded benchmark for antibody-antigen docking and affinity prediction reveals insights into antibody recognition determinants66
Need for Speed: Examining Protein Behavior during CryoEM Grid Preparation at Different Timescales63
Multi-scale 3D Cryo-Correlative Microscopy for Vitrified Cells59
Protein language-model embeddings for fast, accurate, and alignment-free protein structure prediction56
The accuracy of protein structures in solution determined by AlphaFold and NMR54
Functional and Regulatory Roles of Fold-Switching Proteins49
High-Throughput Cryo-EM Enabled by User-Free Preprocessing Routines49
Cryo-EM Structure of K+-Bound hERG Channel Complexed with the Blocker Astemizole48
Predictable cholesterol binding sites in GPCRs lack consensus motifs48
Flanking Regions Determine the Structure of the Poly-Glutamine in Huntingtin through Mechanisms Common among Glutamine-Rich Human Proteins47
Leveraging crosslinking mass spectrometry in structural and cell biology47
Networks of HIV-1 Envelope Glycans Maintain Antibody Epitopes in the Face of Glycan Additions and Deletions46
High-Resolution Cryo-EM Structure of the Cardiac Actomyosin Complex45
Structural basis for accommodation of emerging B.1.351 and B.1.1.7 variants by two potent SARS-CoV-2 neutralizing antibodies45
Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease43
Toward Increased Reliability, Transparency, and Accessibility in Cross-linking Mass Spectrometry41
Structure and immune recognition of the porcine epidemic diarrhea virus spike protein41
Crystal Structure of β-Arrestin 2 in Complex with CXCR7 Phosphopeptide39
Small, but powerful and attractive: 19F in biomolecular NMR39
Benchmarking AlphaFold2 on peptide structure prediction37
Cryo-EM and artificial intelligence visualize endogenous protein community members37
Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study37
Evolving cryo-EM structural approaches for GPCR drug discovery36
High-resolution crystal structures of transient intermediates in the phytochrome photocycle34
Unveiling the polarity of actin filaments by cryo-electron tomography34
The structural heterogeneity of α-synuclein is governed by several distinct subpopulations with interconversion times slower than milliseconds33
How IGF-II Binds to the Human Type 1 Insulin-like Growth Factor Receptor33
Cryo-EM Structure of the Prostaglandin E Receptor EP4 Coupled to G Protein33
A2A Adenosine Receptor Partial Agonism Related to Structural Rearrangements in an Activation Microswitch31
Conformational flexibility and structural variability of SARS-CoV2 S protein30
Structure of the human secretory immunoglobulin M core30
Cryoelectron Tomography Reveals Nanoscale Organization of the Cytoskeleton and Its Relation to Microtubule Curvature Inside Cells30
In situ structure of the AcrAB-TolC efflux pump at subnanometer resolution29
Enhanced validation of small-molecule ligands and carbohydrates in the Protein Data Bank29
Macromolecular refinement of X-ray and cryoelectron microscopy structures with Phenix/OPLS3e for improved structure and ligand quality29
Serial cryoFIB/SEM Reveals Cytoarchitectural Disruptions in Leigh Syndrome Patient Cells28
Cryo-EM structure and resistance landscape of M. tuberculosis MmpL3: An emergent therapeutic target28
Allosteric perspective on the mutability and druggability of the SARS-CoV-2 Spike protein28
Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing28
A Structural Guide to the Bloom Syndrome Complex27
Cryoelectron-Microscopic Structure of the pKpQIL Conjugative Pili from Carbapenem-Resistant Klebsiella pneumoniae27
Integrated Structural Modeling of Full-Length LRH-1 Reveals Inter-domain Interactions Contribute to Receptor Structure and Function26
Monitoring the antibiotic darobactin modulating the β-barrel assembly factor BamA26
A drug and ATP binding site in type 1 ryanodine receptor26
B-Raf autoinhibition in the presence and absence of 14-3-325
The Polyglutamine Expansion at the N-Terminal of Huntingtin Protein Modulates the Dynamic Configuration and Phosphorylation of the C-Terminal HEAT Domain25
Structural characterization of the Myxococcus xanthus encapsulin and ferritin-like cargo system gives insight into its iron storage mechanism25
How do antiporters exchange substrates across the cell membrane? An atomic-level description of the complete exchange cycle in NarK25
Open-access data: A cornerstone for artificial intelligence approaches to protein structure prediction25
The Binding of Palonosetron and Other Antiemetic Drugs to the Serotonin 5-HT3 Receptor25
Structure of the Arabidopsis Glutamate Receptor-like Channel GLR3.2 Ligand-Binding Domain24
The hitchhiker's guide to the periplasm: Unexpected molecular interactions of polymyxin B1 in E. coli24
Binding of the SARS-CoV-2 envelope E protein to human BRD4 is essential for infection23
Recent advances in small-angle scattering and its expanding impact in structural biology23
Dimeric Structure of the Pseudokinase IRAK3 Suggests an Allosteric Mechanism for Negative Regulation23
Molecular architecture and dynamics of SARS-CoV-2 envelope by integrative modeling23
Nucleotide Binding, Evolutionary Insights, and Interaction Partners of the Pseudokinase Unc-51-like Kinase 423
Activation of Phospholipase C β by Gβγ and Gαq Involves C-Terminal Rearrangement to Release Autoinhibition22
Soft X-ray tomography to map and quantify organelle interactions at the mesoscale22
Refolding of lid subdomain of SARS-CoV-2 nsp14 upon nsp10 interaction releases exonuclease activity22
Structures and target RNA preferences of the RNA-binding protein family of IGF2BPs: An overview21
Unique Structural Features of Mammalian NEIL2 DNA Glycosylase Prime Its Activity for Diverse DNA Substrates and Environments21
Structure of Anabaena flos-aquae gas vesicles revealed by cryo-ET21
Uncovering cryptic pockets in the SARS-CoV-2 spike glycoprotein21
Structure of the TSC2 GAP Domain: Mechanistic Insight into Catalysis and Pathogenic Mutations21
A monoclonal antibody against staphylococcal enterotoxin B superantigen inhibits SARS-CoV-2 entry in vitro21
Structure of the human UBR5 E3 ubiquitin ligase21
Structure-Guided Engineering of the Homodimeric Mango-IV Fluorescence Turn-on Aptamer Yields an RNA FRET Pair21
Structural interactions define assembly adapter function of a type II secretion system pseudopilin20
Computationally Designed Cyclic Peptides Derived from an Antibody Loop Increase Breadth of Binding for Influenza Variants20
Structural mechanism underlying ligand binding and activation of PPARγ20
A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins20
Crystal structure of human PACRG in complex with MEIG1 reveals roles in axoneme formation and tubulin binding20
Llamanade: An open-source computational pipeline for robust nanobody humanization19
Rieske head domain dynamics and indazole-derivative inhibition of Candida albicans complex III19
Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE219
How insulin-like growth factor I binds to a hybrid insulin receptor type 1 insulin-like growth factor receptor19
Structure Determination from Lipidic Cubic Phase Embedded Microcrystals by MicroED19
Frozen in time: analyzing molecular dynamics with time-resolved cryo-EM18
Structural analysis of the architecture and in situ localization of the main S-layer complex in Deinococcus radiodurans18
High-resolution structure of the membrane-embedded skeletal muscle ryanodine receptor18
Structure Determination of the Transactivation Domain of p53 in Complex with S100A4 Using Annexin A2 as a Crystallization Chaperone18
Assessing PDB macromolecular crystal structure confidence at the individual amino acid residue level18
Slow conformational dynamics of the human A2A adenosine receptor are temporally ordered18
CryoEM structures of pseudouridine-free ribosome suggest impacts of chemical modifications on ribosome conformations18
Structural determinants of multimerization and dissociation in 2-Cys peroxiredoxin chaperone function18
Native Mass Spectrometry-Based Screening for Optimal Sample Preparation in Single-Particle Cryo-EM18
Multiple Sequence Variants in STAC3 Affect Interactions with CaV1.1 and Excitation-Contraction Coupling18
Binding of Ca2+-independent C2 domains to lipid membranes: A multi-scale molecular dynamics study18
Improving particle quality in cryo-EM analysis using a PEGylation method18
Conformational change of α-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson’s disease17
A conformational change in the N terminus of SLC38A9 signals mTORC1 activation17
Organizational Principles of the NuMA-Dynein Interaction Interface and Implications for Mitotic Spindle Functions17
Tightening the Crosslinking Distance Restraints for Better Resolution of Protein Structure and Dynamics17
A nexus of intrinsic dynamics underlies translocase priming17
Structure of the Extracellular Region of the Bacterial Type VIIb Secretion System Subunit EsaA17
Cryo-EM structure of an open conformation of a gap junction hemichannel in lipid bilayer nanodiscs17
Extracellular domain of PepT1 interacts with TM1 to facilitate substrate transport17
Structural basis for the association of PLEKHA7 with membrane-embedded phosphatidylinositol lipids17
HDX-MS-optimized approach to characterize nanobodies as tools for biochemical and structural studies of class IB phosphoinositide 3-kinases17
Combining Information from Crosslinks and Monolinks in the Modeling of Protein Structures17
Disease-linked mutations cause exposure of a protein quality control degron16
Modeling of protein conformational changes with Rosetta guided by limited experimental data16
Structure of an inactive conformation of GTP-bound RhoA GTPase16
Conformational changes and CO2-induced channel gating in connexin2616
A Conserved Proline Hinge Mediates Helix Dynamics and Activation of Rhodopsin16
Structure of the peripheral arm of a minimalistic respiratory complex I16
Quantitative mining of compositional heterogeneity in cryo-EM datasets of ribosome assembly intermediates16
Interplay between hevin, SPARC, and MDGAs: Modulators of neurexin-neuroligin transsynaptic bridges16
Assembly principles of the human R2TP chaperone complex reveal the presence of R2T and R2P complexes16
Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics16
Cryo-EM Reveals Unanchored M1-Ubiquitin Chain Binding at hRpn11 of the 26S Proteasome16
Pocket delipidation induced by membrane tension or modification leads to a structurally analogous mechanosensitive channel state16
Structural Basis of CYRI-B Direct Competition with Scar/WAVE Complex for Rac115
D-Serine Potently Drives Ligand-Binding Domain Closure in the Ionotropic Glutamate Receptor GluD215
Structures of oxysterol sensor EBI2/GPR183, a key regulator of the immune response15
Ligand Incorporation into Protein Microcrystals for MicroED by On-Grid Soaking15
Super-resolution imaging reveals cytoskeleton-dependent organelle rearrangement within platelets at intermediate stages of maturation15
Exploring protein-protein interactions at the proteome level15
Redesigning HVEM Interface for Selective Binding to LIGHT, BTLA, and CD16015
Structural insights into the activity regulation of full-length non-structural protein 1 from SARS-CoV-215
High-resolution mapping of metal ions reveals principles of surface layer assembly in Caulobacter crescentus cells15
Investigating GIPR (ant)agonism: A structural analysis of GIP and its receptor15
Atomic insights into ML-SI3 mediated human TRPML1 inhibition15
Structural Basis for the Activation and Target Site Specificity of CDC7 Kinase14
Structure of the Human Respiratory Syncytial Virus M2-1 Protein in Complex with a Short Positive-Sense Gene-End RNA14
Cryo-EM structure of the cytosolic AhR complex14
Clamping, bending, and twisting inter-domain motions in the misfold-recognizing portion of UDP-glucose: Glycoprotein glucosyltransferase14
Signaling Mechanism of Phytochromes in Solution14
Thermodynamic analysis of amyloid fibril structures reveals a common framework for stability in amyloid polymorphs14
Dual mechanisms of cholesterol-GPCR interactions that depend on membrane phospholipid composition14
Cryo-EM structure of CtBP2 confirms tetrameric architecture14
Rational exploration of fold atlas for human solute carrier proteins14
Structural Basis for Toxin Inhibition in the VapXD Toxin-Antitoxin System14
Molecular structures of human ACAT2 disclose mechanism for selective inhibition14
Structural basis for the initiation of COPII vesicle biogenesis13
Structural and Functional Impact of SRP54 Mutations Causing Severe Congenital Neutropenia13
Allosteric HIV Integrase Inhibitors Promote Formation of Inactive Branched Polymers via Homomeric Carboxy-Terminal Domain Interactions13
Crystal structure of the Tspan15 LEL domain reveals a conserved ADAM10 binding site13
A Single-Molecule Surface-Based Platform to Detect the Assembly and Function of the Human RNA Polymerase II Transcription Machinery13
Structure of the ancient TRPY1 channel from Saccharomyces cerevisiae reveals mechanisms of modulation by lipids and calcium13
Structural characterization of KKT4, an unconventional microtubule-binding kinetochore protein13
Using cryo-EM to understand antimycobacterial resistance in the catalase-peroxidase (KatG) from Mycobacterium tuberculosis13
Structural Basis for Phosphatidylethanolamine Biosynthesis by Bacterial Phosphatidylserine Decarboxylase13
Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome13
Vaccine-elicited murine antibody WS6 neutralizes diverse beta-coronaviruses by recognizing a helical stem supersite of vulnerability12
Crystal Structure of MLL2 Complex Guides the Identification of a Methylation Site on P53 Catalyzed by KMT2 Family Methyltransferases12
Phosphorylation of RIAM by src promotes integrin activation by unmasking the PH domain of RIAM12
Acquired Functional Capsid Structures in Metazoan Totivirus-like dsRNA Virus12
A “Drug Sweeping” State of the TriABC Triclosan Efflux Pump from Pseudomonas aeruginosa12
Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors12
Simplified quality assessment for small-molecule ligands in the Protein Data Bank12
Protein structure prediction using residue-resolved protection factors from hydrogen-deuterium exchange NMR12
Structural evidence for visual arrestin priming via complexation of phosphoinositols12
Priming enzymes from the pikromycin synthase reveal how assembly-line ketosynthases catalyze carbon-carbon chemistry12
Structural basis of nanobodies neutralizing SARS-CoV-2 variants12
Structural basis of bacteriophage lambda capsid maturation12
Architecture and assembly dynamics of the essential mitochondrial chaperone complex TIM9·10·1212
Deamidation of the human eye lens protein γS-crystallin accelerates oxidative aging12
Assessing the Structures and Interactions of γD-Crystallin Deamidation Variants11
Structural analysis of mammalian protein phosphorylation at a proteome level11
Structure and assembly pattern of a freshwater short-tailed cyanophage Pam111
Structure-guided optimization of light-activated chimeric G-protein-coupled receptors11
MAP Kinase-Mediated Activation of RSK1 and MK2 Substrate Kinases11
CryoEM map of Pseudomonas aeruginosa PilQ enables structural characterization of TsaP11
Structure of the Regulatory Cytosolic Domain of a Eukaryotic Potassium-Chloride Cotransporter11
Cryo-EM structure of a monomeric RC-LH1-PufX supercomplex with high-carotenoid content from Rhodobacter capsulatus11
Cohesin-dockerin code in cellulosomal dual binding modes and its allosteric regulation by proline isomerization11
Capturing the Conformational Ensemble of the Mixed Folded Polyglutamine Protein Ataxin-311
Structural study of the N-terminal domain of human MCM8/9 complex11
Evidence for a credit-card-swipe mechanism in the human PC floppase ABCB411
Protein Motional Details Revealed by Complementary Structural Biology Techniques11
Structure of the RhlR-PqsE complex from Pseudomonas aeruginosa reveals mechanistic insights into quorum-sensing gene regulation11