Structure

Article	Citations
Performance and Its Limits in Rigid Body Protein-Protein Docking	304
The Architecture of Inactivated SARS-CoV-2 with Postfusion Spikes Revealed by Cryo-EM and Cryo-ET	135
FARFAR2: Improved De Novo Rosetta Prediction of Complex Global RNA Folds	130
Malleability of the SARS-CoV-2 3CL Mpro Active-Site Cavity Facilitates Binding of Clinical Antivirals	107
A Global Ramachandran Score Identifies Protein Structures with Unlikely Stereochemistry	89
Structural Effects and Functional Implications of Phalloidin and Jasplakinolide Binding to Actin Filaments	82
Structural Basis for Rab8a Recruitment of RILPL2 via LRRK2 Phosphorylation of Switch 2	61
Need for Speed: Examining Protein Behavior during CryoEM Grid Preparation at Different Timescales	59
An expanded benchmark for antibody-antigen docking and affinity prediction reveals insights into antibody recognition determinants	59
Multi-scale 3D Cryo-Correlative Microscopy for Vitrified Cells	55
Protein language-model embeddings for fast, accurate, and alignment-free protein structure prediction	52
The accuracy of protein structures in solution determined by AlphaFold and NMR	49
Interactions of a Bacterial RND Transporter with a Transmembrane Small Protein in a Lipid Environment	48
GemSpot: A Pipeline for Robust Modeling of Ligands into Cryo-EM Maps	46
Functional and Regulatory Roles of Fold-Switching Proteins	45
Networks of HIV-1 Envelope Glycans Maintain Antibody Epitopes in the Face of Glycan Additions and Deletions	45
Predictable cholesterol binding sites in GPCRs lack consensus motifs	45
Cryo-EM Structure of K+-Bound hERG Channel Complexed with the Blocker Astemizole	45
High-Throughput Cryo-EM Enabled by User-Free Preprocessing Routines	45
Flanking Regions Determine the Structure of the Poly-Glutamine in Huntingtin through Mechanisms Common among Glutamine-Rich Human Proteins	43
Structural basis for accommodation of emerging B.1.351 and B.1.1.7 variants by two potent SARS-CoV-2 neutralizing antibodies	43
Leveraging crosslinking mass spectrometry in structural and cell biology	41
Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease	41
High-Resolution Cryo-EM Structure of the Cardiac Actomyosin Complex	40
Structural and Functional Studies of a Klebsiella Phage Capsule Depolymerase Tailspike: Mechanistic Insights into Capsular Degradation	40

The Crystal Structure of Angiotensin II Type 2 Receptor with Endogenous Peptide Hormone	39
Crystal Structure of β-Arrestin 2 in Complex with CXCR7 Phosphopeptide	38
Toward Increased Reliability, Transparency, and Accessibility in Cross-linking Mass Spectrometry	37
Structure and immune recognition of the porcine epidemic diarrhea virus spike protein	35
Mammalian Retromer Is an Adaptable Scaffold for Cargo Sorting from Endosomes	35
Small, but powerful and attractive: 19F in biomolecular NMR	34
Cryo-EM Structure of the Prostaglandin E Receptor EP4 Coupled to G Protein	33
How IGF-II Binds to the Human Type 1 Insulin-like Growth Factor Receptor	33
Computational Modeling of Protein Stability: Quantitative Analysis Reveals Solutions to Pervasive Problems	33
High-resolution crystal structures of transient intermediates in the phytochrome photocycle	31
Cryo-EM and artificial intelligence visualize endogenous protein community members	31
Unveiling the polarity of actin filaments by cryo-electron tomography	31
The structural heterogeneity of α-synuclein is governed by several distinct subpopulations with interconversion times slower than milliseconds	31
Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study	30
Cryoelectron Tomography Reveals Nanoscale Organization of the Cytoskeleton and Its Relation to Microtubule Curvature Inside Cells	30
A2A Adenosine Receptor Partial Agonism Related to Structural Rearrangements in an Activation Microswitch	30
Conformational flexibility and structural variability of SARS-CoV2 S protein	30
Macromolecular refinement of X-ray and cryoelectron microscopy structures with Phenix/OPLS3e for improved structure and ligand quality	28
Evolving cryo-EM structural approaches for GPCR drug discovery	28
Enhanced validation of small-molecule ligands and carbohydrates in the Protein Data Bank	28
Structure of the human secretory immunoglobulin M core	27
Cryo-EM structure and resistance landscape of M. tuberculosis MmpL3: An emergent therapeutic target	27
Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing	27
F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening	27
Cryoelectron-Microscopic Structure of the pKpQIL Conjugative Pili from Carbapenem-Resistant Klebsiella pneumoniae	27
Serial cryoFIB/SEM Reveals Cytoarchitectural Disruptions in Leigh Syndrome Patient Cells	26
D-loop Dynamics and Near-Atomic-Resolution Cryo-EM Structure of Phalloidin-Bound F-Actin	26
In situ structure of the AcrAB-TolC efflux pump at subnanometer resolution	26
A Structural Guide to the Bloom Syndrome Complex	25
Visualization of Ligand-Bound Ectodomain Assembly in the Full-Length Human IGF-1 Receptor by Cryo-EM Single-Particle Analysis	24
Monitoring the antibiotic darobactin modulating the β-barrel assembly factor BamA	24
The Polyglutamine Expansion at the N-Terminal of Huntingtin Protein Modulates the Dynamic Configuration and Phosphorylation of the C-Terminal HEAT Domain	24
Benchmarking AlphaFold2 on peptide structure prediction	24
B-Raf autoinhibition in the presence and absence of 14-3-3	23
How do antiporters exchange substrates across the cell membrane? An atomic-level description of the complete exchange cycle in NarK	23
Allosteric perspective on the mutability and druggability of the SARS-CoV-2 Spike protein	23
Structure of the Arabidopsis Glutamate Receptor-like Channel GLR3.2 Ligand-Binding Domain	23
A drug and ATP binding site in type 1 ryanodine receptor	23
Dimeric Structure of the Pseudokinase IRAK3 Suggests an Allosteric Mechanism for Negative Regulation	22
Activation of Phospholipase C β by Gβγ and Gαq Involves C-Terminal Rearrangement to Release Autoinhibition	22
Recent advances in small-angle scattering and its expanding impact in structural biology	22
Open-access data: A cornerstone for artificial intelligence approaches to protein structure prediction	22
Integrated Structural Modeling of Full-Length LRH-1 Reveals Inter-domain Interactions Contribute to Receptor Structure and Function	22
Structure of Microtubule-Trapped Human Kinesin-5 and Its Mechanism of Inhibition Revealed Using Cryoelectron Microscopy	22
Binding of the SARS-CoV-2 envelope E protein to human BRD4 is essential for infection	21
The hitchhiker's guide to the periplasm: Unexpected molecular interactions of polymyxin B1 in E. coli	21
Antigen-Induced Allosteric Changes in a Human IgG1 Fc Increase Low-Affinity Fcγ Receptor Binding	21
Nucleotide Binding, Evolutionary Insights, and Interaction Partners of the Pseudokinase Unc-51-like Kinase 4	21
An Extended Conformation for K48 Ubiquitin Chains Revealed by the hRpn2:Rpn13:K48-Diubiquitin Structure	21
A monoclonal antibody against staphylococcal enterotoxin B superantigen inhibits SARS-CoV-2 entry in vitro	21

Computationally Designed Cyclic Peptides Derived from an Antibody Loop Increase Breadth of Binding for Influenza Variants	20
Structure of the TSC2 GAP Domain: Mechanistic Insight into Catalysis and Pathogenic Mutations	20
Structural interactions define assembly adapter function of a type II secretion system pseudopilin	20
Structures and target RNA preferences of the RNA-binding protein family of IGF2BPs: An overview	20
The Binding of Palonosetron and Other Antiemetic Drugs to the Serotonin 5-HT3 Receptor	20
Structure-Guided Engineering of the Homodimeric Mango-IV Fluorescence Turn-on Aptamer Yields an RNA FRET Pair	19
Refolding of lid subdomain of SARS-CoV-2 nsp14 upon nsp10 interaction releases exonuclease activity	19
Crystal structure of human PACRG in complex with MEIG1 reveals roles in axoneme formation and tubulin binding	19
Unique Structural Features of Mammalian NEIL2 DNA Glycosylase Prime Its Activity for Diverse DNA Substrates and Environments	19
Structural mechanism underlying ligand binding and activation of PPARγ	18
Binding of Ca2+-independent C2 domains to lipid membranes: A multi-scale molecular dynamics study	18
Soft X-ray tomography to map and quantify organelle interactions at the mesoscale	18
Multiple Sequence Variants in STAC3 Affect Interactions with CaV1.1 and Excitation-Contraction Coupling	18
Native Mass Spectrometry-Based Screening for Optimal Sample Preparation in Single-Particle Cryo-EM	18
Structural analysis of the architecture and in situ localization of the main S-layer complex in Deinococcus radiodurans	18
Structure Determination from Lipidic Cubic Phase Embedded Microcrystals by MicroED	18
A nexus of intrinsic dynamics underlies translocase priming	17
A conformational change in the N terminus of SLC38A9 signals mTORC1 activation	17
Slow conformational dynamics of the human A2A adenosine receptor are temporally ordered	17
Organizational Principles of the NuMA-Dynein Interaction Interface and Implications for Mitotic Spindle Functions	17
Tightening the Crosslinking Distance Restraints for Better Resolution of Protein Structure and Dynamics	17
Experimental Phasing of MicroED Data Using Radiation Damage	17
Llamanade: An open-source computational pipeline for robust nanobody humanization	17
Structural determinants of multimerization and dissociation in 2-Cys peroxiredoxin chaperone function	17
Structure of Anabaena flos-aquae gas vesicles revealed by cryo-ET	17
Structural characterization of the Myxococcus xanthus encapsulin and ferritin-like cargo system gives insight into its iron storage mechanism	17
Structural basis for the association of PLEKHA7 with membrane-embedded phosphatidylinositol lipids	17
Uncovering cryptic pockets in the SARS-CoV-2 spike glycoprotein	17
Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE2	17
Combining Information from Crosslinks and Monolinks in the Modeling of Protein Structures	17
How insulin-like growth factor I binds to a hybrid insulin receptor type 1 insulin-like growth factor receptor	17
A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins	16
Structure of the Extracellular Region of the Bacterial Type VIIb Secretion System Subunit EsaA	16
Assessing PDB macromolecular crystal structure confidence at the individual amino acid residue level	16
Modeling of protein conformational changes with Rosetta guided by limited experimental data	16
Cryo-EM Reveals Unanchored M1-Ubiquitin Chain Binding at hRpn11 of the 26S Proteasome	16
Molecular architecture and dynamics of SARS-CoV-2 envelope by integrative modeling	16
CCDC61/VFL3 Is a Paralog of SAS6 and Promotes Ciliary Functions	16
Pocket delipidation induced by membrane tension or modification leads to a structurally analogous mechanosensitive channel state	16
Mechanism of CcdA-Mediated Rejuvenation of DNA Gyrase	15
Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics	15
Interplay between hevin, SPARC, and MDGAs: Modulators of neurexin-neuroligin transsynaptic bridges	15
Rieske head domain dynamics and indazole-derivative inhibition of Candida albicans complex III	15
Characterizing Membrane Association and Periplasmic Transfer of Bacterial Lipoproteins through Molecular Dynamics Simulations	15
Improving particle quality in cryo-EM analysis using a PEGylation method	15
Structural Basis for the High-Affinity Interaction between CASK and Mint1	15
A Conserved Proline Hinge Mediates Helix Dynamics and Activation of Rhodopsin	15
Structure of the human UBR5 E3 ubiquitin ligase	15
Structure Determination of the Transactivation Domain of p53 in Complex with S100A4 Using Annexin A2 as a Crystallization Chaperone	15
Distinct Allosteric Networks Underlie Mechanistic Speciation of ABC Transporters	15
Structure of the Human Respiratory Syncytial Virus M2-1 Protein in Complex with a Short Positive-Sense Gene-End RNA	14
D-Serine Potently Drives Ligand-Binding Domain Closure in the Ionotropic Glutamate Receptor GluD2	14
Structures of oxysterol sensor EBI2/GPR183, a key regulator of the immune response	14
Characterization of a C-Terminal SUMO-Interacting Motif Present in Select PIAS-Family Proteins	14
Structural Basis of CYRI-B Direct Competition with Scar/WAVE Complex for Rac1	14
Frozen in time: analyzing molecular dynamics with time-resolved cryo-EM	14
Clamping, bending, and twisting inter-domain motions in the misfold-recognizing portion of UDP-glucose: Glycoprotein glucosyltransferase	14
Ligand Incorporation into Protein Microcrystals for MicroED by On-Grid Soaking	14
CryoEM structures of pseudouridine-free ribosome suggest impacts of chemical modifications on ribosome conformations	14
High-resolution structure of the membrane-embedded skeletal muscle ryanodine receptor	14
Structure of an inactive conformation of GTP-bound RhoA GTPase	14
Structural insights into the activity regulation of full-length non-structural protein 1 from SARS-CoV-2	14
Atomic insights into ML-SI3 mediated human TRPML1 inhibition	13
Cryo-EM structure of CtBP2 confirms tetrameric architecture	13
Conformational change of α-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson’s disease	13
Quantitative mining of compositional heterogeneity in cryo-EM datasets of ribosome assembly intermediates	13
Allosteric Activation of PI3Kα Results in Dynamic Access to Catalytically Competent Conformations	13
Using cryo-EM to understand antimycobacterial resistance in the catalase-peroxidase (KatG) from Mycobacterium tuberculosis	13
Signaling Mechanism of Phytochromes in Solution	13
Disease-linked mutations cause exposure of a protein quality control degron	13
Investigating GIPR (ant)agonism: A structural analysis of GIP and its receptor	13
Structural Basis for the Activation and Target Site Specificity of CDC7 Kinase	13
Assembly principles of the human R2TP chaperone complex reveal the presence of R2T and R2P complexes	13
Structure of the peripheral arm of a minimalistic respiratory complex I	13
Exploring protein-protein interactions at the proteome level	13
Redesigning HVEM Interface for Selective Binding to LIGHT, BTLA, and CD160	12
Structure of the ancient TRPY1 channel from Saccharomyces cerevisiae reveals mechanisms of modulation by lipids and calcium	12
Super-resolution imaging reveals cytoskeleton-dependent organelle rearrangement within platelets at intermediate stages of maturation	12
Allosteric HIV Integrase Inhibitors Promote Formation of Inactive Branched Polymers via Homomeric Carboxy-Terminal Domain Interactions	12
Crystal structure of the Tspan15 LEL domain reveals a conserved ADAM10 binding site	12

Rational exploration of fold atlas for human solute carrier proteins	12
Structural Basis for Toxin Inhibition in the VapXD Toxin-Antitoxin System	12
Molecular structures of human ACAT2 disclose mechanism for selective inhibition	12
Structural and Functional Impact of SRP54 Mutations Causing Severe Congenital Neutropenia	12
High-resolution mapping of metal ions reveals principles of surface layer assembly in Caulobacter crescentus cells	12
Cryo-EM structure of the cytosolic AhR complex	12
Cryo-EM structure of an open conformation of a gap junction hemichannel in lipid bilayer nanodiscs	12
Simplified quality assessment for small-molecule ligands in the Protein Data Bank	11
Acquired Functional Capsid Structures in Metazoan Totivirus-like dsRNA Virus	11
A Single-Molecule Surface-Based Platform to Detect the Assembly and Function of the Human RNA Polymerase II Transcription Machinery	11
Structural evidence for visual arrestin priming via complexation of phosphoinositols	11
Priming enzymes from the pikromycin synthase reveal how assembly-line ketosynthases catalyze carbon-carbon chemistry	11
Structural basis of nanobodies neutralizing SARS-CoV-2 variants	11
Thermodynamic analysis of amyloid fibril structures reveals a common framework for stability in amyloid polymorphs	11
Structural basis of bacteriophage lambda capsid maturation	11
Structural Basis for Phosphatidylethanolamine Biosynthesis by Bacterial Phosphatidylserine Decarboxylase	11
Structure of the Regulatory Cytosolic Domain of a Eukaryotic Potassium-Chloride Cotransporter	11
A “Drug Sweeping” State of the TriABC Triclosan Efflux Pump from Pseudomonas aeruginosa	11
Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors	11
HDX-MS-optimized approach to characterize nanobodies as tools for biochemical and structural studies of class IB phosphoinositide 3-kinases	11
Phosphorylation of RIAM by src promotes integrin activation by unmasking the PH domain of RIAM	11
MAP Kinase-Mediated Activation of RSK1 and MK2 Substrate Kinases	11
Extracellular domain of PepT1 interacts with TM1 to facilitate substrate transport	11
Evidence for a credit-card-swipe mechanism in the human PC floppase ABCB4	11
Crystal Structure of MLL2 Complex Guides the Identification of a Methylation Site on P53 Catalyzed by KMT2 Family Methyltransferases	11