Identification of potent inhibitors of ATP synthase subunit c (AtpE) from Mycobacterium tuberculosis using in silico approach.
PMID:34934830
Investigation of Antidepressant Properties of Yohimbine by Employing Structure-Based Computational Assessments.
PMID:34889886
Intermolecular Interactions Drive Protein Adaptive and Coadaptive Evolution at Both Species and Population Levels.
PMID:34878126
In silico Methods for Identification of Potential Therapeutic Targets.
PMID:34826045
Structure-Guided Computational Approaches to Unravel Druggable Proteomic Landscape of Mycobacterium leprae.
PMID:34026836
The evolutionary history of ACE2 usage within the coronavirus subgenus Sarbecovirus.
PMID:33754082
Identification of a SARS-like bat coronavirus that shares structural features with the spike glycoprotein receptor-binding domain of SARS-CoV-2.
PMID:33294769
UCSF ChimeraX: Structure visualization for researchers, educators, and developers.
PMID:32881101
The evolutionary history of ACE2 usage within the coronavirus subgenus Sarbecovirus.
PMID:32676605
PvP01-DB: computational structural and functional characterization of soluble proteome of PvP01 strain of Plasmodium vivax.
PMID:32542363
In Silico Modeling of Crimean Congo Hemorrhagic Fever Virus Glycoprotein-N and Screening of Anti Viral Hits by Virtual Screening.
PMID:32421093
Novel Apoptotic Mediators Identified by Conservation of Vertebrate Caspase Targets.
PMID:32326640
In silico prediction of a new lead compound targeting enolase of trypanosomatids through structure-based virtual screening and molecular dynamic studies.
PMID:31912304
Aggregation, adhesion and efficacy studies of probiotic candidate Pediococcus acidilactici NCDC 252: a strain of dairy origin.
PMID:31863307
Enhanced GROMACS: toward a better numerical simulation framework.
PMID:31768713
Efficient In Vivo Screening Method for the Identification of C4 Photosynthesis Inhibitors Based on Cell Suspensions of the Single-Cell C4 Plant Bienertia sinuspersici.
PMID:31736996
Dual Recognition of Sialic Acid and αGal Epitopes by the VP8* Domains of the Bovine Rotavirus G6P[5] WC3 and of Its Mono-reassortant G4P[5] RotaTeq Vaccine Strains.
PMID:31243129
Identification of Novel Protein Lysine Acetyltransferases in Escherichia coli.
PMID:30352934
Predictions of novel Schistosoma mansoni - human protein interactions consistent with experimental data.
PMID:30166569
Molecular Modeling of Drug-Transporter Interactions-An International Transporter Consortium Perspective.
PMID:29981151
Overproduction of the cyanobacterial hydrogenase and selection of a mutant thriving on urea, as a possible step towards the future production of hydrogen coupled with water treatment.
PMID:29879209
Structural patterns of selection and diversity for Plasmodium vivax antigens DBP and AMA1.
PMID:29720179
PvaxDB: a comprehensive structural repository of Plasmodium vivax proteome.
PMID:29688373
Introduction of Viral Hemorrhagic Septicemia Virus into Freshwater Cultured Rainbow Trout Is Followed by Bursts of Adaptive Evolution.
PMID:29643236
Comprehensive Characterization of Cancer Driver Genes and Mutations.
PMID:29625053
Proteome-wide mapping of immune features onto Plasmodium protein three-dimensional structures.
PMID:29531293
Building protein-protein interaction networks for Leishmania species through protein structural information.
PMID:29510668
Comprehensive Analysis of Constraint on the Spatial Distribution of Missense Variants in Human Protein Structures.
PMID:29455857
Co-precipitation molecules hemopexin and transferrin may be key molecules for fibrillogenesis in TTR V30M amyloidogenesis.
PMID:29288430
Mutations in Fibronectin Cause a Subtype of Spondylometaphyseal Dysplasia with "Corner Fractures".
PMID:29100092
Exploring anti-malarial potential of FDA approved drugs: an in silico approach.
PMID:28720135
UCSF ChimeraX: Meeting modern challenges in visualization and analysis.
PMID:28710774
The C-terminal peptide of Aquifex aeolicus riboflavin synthase directs encapsulation of native and foreign guests by a cage-forming lumazine synthase.
PMID:28515315
Three-dimensional Modelling of the Voltage-gated Sodium Ion Channel from Anopheles gambiae Reveals Spatial Clustering of Evolutionarily Conserved Acidic Residues at the Extracellular Sites.
PMID:27919210
Amending HIV Drugs: A Novel Small-Molecule Approach To Target Lupus Anti-DNA Antibodies.
PMID:27603688
Functional Characterization of Soybean Glyma04g39610 as a Brassinosteroid Receptor Gene and Evolutionary Analysis of Soybean Brassinosteroid Receptors.
PMID:27338344
Comparative Protein Structure Modeling Using MODELLER.
PMID:27322406
Organic UV filters inhibit multixenobiotic resistance (MXR) activity in Tetrahymena thermophila: investigations by the Rhodamine 123 accumulation assay and molecular docking.
PMID:27315091
Modified Deacetylcephalosporin C Synthase for the Biotransformation of Semisynthetic Cephalosporins.
PMID:27084018
Insight into determinants of substrate binding and transport in a multidrug efflux protein.
PMID:26961153
Prediction of Certain Well-Characterized Domains of Known Functions within the PE and PPE Proteins of Mycobacteria.
PMID:26891364
mutation3D: Cancer Gene Prediction Through Atomic Clustering of Coding Variants in the Structural Proteome.
PMID:26841357
Gene3D: expanding the utility of domain assignments.
PMID:26578585
Targeting the Src Homology 2 (SH2) Domain of Signal Transducer and Activator of Transcription 6 (STAT6) with Cell-Permeable, Phosphatase-Stable Phosphopeptide Mimics Potently Inhibits Tyr641 Phosphorylation and Transcriptional Activity.
PMID:26506089
SInCRe-structural interactome computational resource for Mycobacterium tuberculosis.
PMID:26130660
Humanized-VHH transbodies that inhibit HCV protease and replication.
PMID:25903832
EGFR Mutant Structural Database: computationally predicted 3D structures and the corresponding binding free energies with gefitinib and erlotinib.
PMID:25886721
Biochemical functional predictions for protein structures of unknown or uncertain function.
PMID:25848497
CHOPIN: a web resource for the structural and functional proteome of Mycobacterium tuberculosis.
PMID:25833954
Ligand-target prediction by structural network biology using nAnnoLyze.
PMID:25816344
Arc is a flexible modular protein capable of reversible self-oligomerization.
PMID:25748042
MmTX1 and MmTX2 from coral snake venom potently modulate GABAA receptor activity.
PMID:25675485
Genome-wide Analysis of Mycoplasma hominis for the Identification of Putative Therapeutic Targets.
PMID:25574133
Modeling three-dimensional structure of two closely related Ni-Fe hydrogenases.
PMID:25572109
Structure based annotation of Helicobacter pylori strain 26695 proteome.
PMID:25549250
Homology modeling, molecular dynamics, and site-directed mutagenesis study of AlkB human homolog 1 (ALKBH1).
PMID:25459764
Mechismo: predicting the mechanistic impact of mutations and modifications on molecular interactions.
PMID:25392414
Rsp5/Nedd4 is the main ubiquitin ligase that targets cytosolic misfolded proteins following heat stress.
PMID:25344756
Molecular Docking of Known Carcinogen 4- (Methyl-nitrosamino)-1-(3-pyridyl)-1-butanone (NNK) with Cyclin Dependent Kinases towards Its Potential Role in Cell Cycle Perturbation.
PMID:25258489
Global analysis of protein structural changes in complex proteomes.
PMID:25218519
Structural bioinformatics of the interactome.
PMID:24895853
Adenine nucleotide translocase is acetylated in vivo in human muscle: Modeling predicts a decreased ADP affinity and altered control of oxidative phosphorylation.
PMID:24884163
A conserved loop in the catalytic domain of eukaryotic elongation factor 2 kinase plays a key role in its substrate specificity.
PMID:24732796
Nuclear trafficking of the HIV-1 pre-integration complex depends on the ADAM10 intracellular domain.
PMID:24725932
Estimation of protein function using template-based alignment of enzyme active sites.
PMID:24669788
FreeContact: fast and free software for protein contact prediction from residue co-evolution.
PMID:24669753
Prediction of CTL epitope, in silico modeling and functional analysis of cytolethal distending toxin (CDT) protein of Campylobacter jejuni.
PMID:24552167
The structural pathway of interleukin 1 (IL-1) initiated signaling reveals mechanisms of oncogenic mutations and SNPs in inflammation and cancer.
PMID:24550720
PhosphoTyrosyl phosphatase activator of Plasmodium falciparum: identification of its residues involved in binding to and activation of PP2A.
PMID:24521882
The hypervariable region of meningococcal major pilin PilE controls the host cell response via antigenic variation.
PMID:24520062
The ABCA1 domain responsible for interaction with HIV-1 Nef is conformational and not linear.
PMID:24406162
Genome-wide Membrane Protein Structure Prediction.
PMID:24403851
Amino acid changes in disease-associated variants differ radically from variants observed in the 1000 genomes project dataset.
PMID:24348229
Critical assessment of methods of protein structure prediction (CASP)--round x.
PMID:24344053
New insights into the phylogeny and molecular classification of nicotinamide mononucleotide deamidases.
PMID:24340054
ModBase, a database of annotated comparative protein structure models and associated resources.
PMID:24271400
OnTheFly: a database of Drosophila melanogaster transcription factors and their binding sites.
PMID:24271386
Analysis of bortezomib inhibitor docked within the catalytic subunits of the Plasmodium falciparum 20S proteasome.
PMID:24255860
Lipid core peptide targeting the cathepsin D hemoglobinase of Schistosoma mansoni as a component of a schistosomiasis vaccine.
PMID:24231271
Visualizing the ai5γ group IIB intron.
PMID:24203709
Mass spectrometry coupled experiments and protein structure modeling methods.
PMID:24132151
Exploring mechanisms of human disease through structurally resolved protein interactome networks.
PMID:24096645
High-resolution comparative modeling with RosettaCM.
PMID:24035711
Protein modeling: what happened to the "protein structure gap"?
PMID:24010712
Alternative splice variants in TIM barrel proteins from human genome correlate with the structural and evolutionary modularity of this versatile protein fold.
PMID:23950966
TanCAR: A Novel Bispecific Chimeric Antigen Receptor for Cancer Immunotherapy.
PMID:23839099
Assessment of the assessment: evaluation of the model quality estimates in CASP10.
PMID:23780644
Candidate gene association studies: a comprehensive guide to useful in silico tools.
PMID:23656885
The Protein Model Portal--a comprehensive resource for protein structure and model information.
PMID:23624946
Molecular basis of two novel and related high-prevalence antigens in the Kell blood group system, KUCI and KANT, and their serologic and spatial association with K11 and KETI.
PMID:23560718
Discovery-2: an interactive resource for the rational selection and comparison of putative drug target proteins in malaria.
PMID:23537208
Formation of cystine slipknots in dimeric proteins.
PMID:23520470
Towards improved quality of GPCR models by usage of multiple templates and profile-profile comparison.
PMID:23468878
Biochemical and mutational analysis of a novel nicotinamidase from Oceanobacillus iheyensis HTE831.
PMID:23451075
Interactome3D: adding structural details to protein networks.
PMID:23399932
CrossTope: a curate repository of 3D structures of immunogenic peptide: MHC complexes.
PMID:23396301
Coordinating the impact of structural genomics on the human α-helical transmembrane proteome.
PMID:23381628
From systems to structure: bridging networks and mechanism.
PMID:23352243
Reflection on design and testing of pancreatic alpha-amylase inhibitors: an in silico comparison between rat and rabbit enzyme models.
PMID:23352052
Single molecule force spectroscopy on titin implicates immunoglobulin domain stability as a cardiac disease mechanism.
PMID:23297410
ACA-specific RNA sequence recognition is acquired via the loop 2 region of MazF mRNA interferase.
PMID:23280569
A global comparison of the human and T. brucei degradomes gives insights about possible parasite drug targets.
PMID:23236535
Molecular basis for dramatic changes in cannabinoid CB1 G protein-coupled receptor activation upon single and double point mutations.
PMID:23184890
Molecular interaction analysis of cigarette smoke carcinogens NNK and NNAL with enzymes involved in DNA repair pathways: An in silico approach.
PMID:23139587
Protein structure prediction from sequence variation.
PMID:23138306
Congenital hypothyroidism mutations affect common folding and trafficking in the α/β-hydrolase fold proteins.
PMID:23035660
Interaction landscape of membrane-protein complexes in Saccharomyces cerevisiae.
PMID:22940862
Comparative genomics analysis of Mycobacterium ulcerans for the identification of putative essential genes and therapeutic candidates.
PMID:22912793
Strategic protein target analysis for developing drugs to stop dental caries.
PMID:22899687
Crowd sourcing a new paradigm for interactome driven drug target identification in Mycobacterium tuberculosis.
PMID:22808064
Integrative structural modeling with small angle X-ray scattering profiles.
PMID:22800408
Rotavirus VP8*: phylogeny, host range, and interaction with histo-blood group antigens.
PMID:22761376
Structure of the signal transduction protein TRAP (target of RNAIII-activating protein).
PMID:22750855
Biochemical characterization and structural modeling of human cathepsin E variant 2 in comparison to the wild-type protein.
PMID:22718633
Global identification and characterization of both O-GlcNAcylation and phosphorylation at the murine synapse.
PMID:22645316
Structural genomics plucks high-hanging membrane proteins.
PMID:22622032
SALIGN: a web server for alignment of multiple protein sequences and structures.
PMID:22618536
Facile backbone structure determination of human membrane proteins by NMR spectroscopy.
PMID:22609626
Bioinformatics and variability in drug response: a protein structural perspective.
PMID:22552919
The Protein Structure Initiative Structural Biology Knowledgebase Technology Portal: a structural biology web resource.
PMID:22527514
Computational characterization of 3' splice variants in the GFAP isoform family.
PMID:22479412
Membrane protein stability analyses by means of protein energy profiles in case of nephrogenic diabetes insipidus.
PMID:22474537
Structure-function mapping of a heptameric module in the nuclear pore complex.
PMID:22331846
Automated protein structure modeling with SWISS-MODEL Workspace and the Protein Model Portal.
PMID:22323219
Expanding the chemical cross-linking toolbox by the use of multiple proteases and enrichment by size exclusion chromatography.
PMID:22286754
Impaired transforming growth factor-β (TGF-β) transcriptional activity and cell proliferation control of a menin in-frame deletion mutant associated with multiple endocrine neoplasia type 1 (MEN1).
PMID:22275377
Putting the pieces together: integrative modeling platform software for structure determination of macromolecular assemblies.
PMID:22272186
Identification of intersubunit domain interactions within eukaryotic initiation factor (eIF) 2B, the nucleotide exchange factor for translation initiation.
PMID:22238343
Endonuclease G interacts with histone H2B and DNA topoisomerase II alpha during apoptosis.
PMID:22160858
Giant DNA virus mimivirus encodes pathway for biosynthesis of unusual sugar 4-amino-4,6-dideoxy-D-glucose (Viosamine).
PMID:22157758
TDR Targets: a chemogenomics resource for neglected diseases.
PMID:22116064
DAMPD: a manually curated antimicrobial peptide database.
PMID:22110032
DBETH: a Database of Bacterial Exotoxins for Human.
PMID:22102573
An intramolecular salt bridge drives the soluble domain of GTP-bound atlastin into the postfusion conformation.
PMID:22065636
EcoliWiki: a wiki-based community resource for Escherichia coli.
PMID:22064863
The Enzyme Function Initiative.
PMID:21999478
Evaluation of model quality predictions in CASP9.
PMID:21997462
The UCSC Genome Browser.
PMID:21975940
UCSF Chimera, MODELLER, and IMP: an integrated modeling system.
PMID:21963794
Structure-based discovery of prescription drugs that interact with the norepinephrine transporter, NET.
PMID:21885739
Disruption of a ciliary B9 protein complex causes Meckel syndrome.
PMID:21763481
The 2011 Nucleic Acids Research Database Issue and the online Molecular Biology Database Collection.
PMID:21177655
Comparative protein structure modeling using Modeller.
PMID:18428767