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Thermodynamic Integration Combined with Molecular Dynamic Simulations to Explore the Cross‐Resistance Mechanism of Isoniazid and Ethionamide
Thermodynamic Integration Combined with Molecular Dynamic Simulations to Explore the Cross‐Resistance Mechanism of Isoniazid and Ethionamide
Abstract Tuberculosis is an ancient disease of mankind, and its causative bacterium is Mycobacterium tuberculosis. Isoniaz...
The Dynamic Basis of Structural Order in Proteins
The Dynamic Basis of Structural Order in Proteins
Abstract We compare the sequences of folded and intrinsically disordered proteins, using bioinformatic methods recently de...
The X‐ray crystal structure of human A15C neuroglobin reveals both native/de novo disulfide bonds and unexpected ligand‐binding sites
The X‐ray crystal structure of human A15C neuroglobin reveals both native/de novo disulfide bonds and unexpected ligand‐binding sites
Abstract Human neuroglobin (Ngb) contains a heme group and three Cys residues (Cys46, Cys55 and Cys120) in the polypeptide...
In‐depth analysis of amino acid and nucleotide sequences of Hsp60: how conserved is this protein?
In‐depth analysis of amino acid and nucleotide sequences of Hsp60: how conserved is this protein?
Abstract Chaperonin Hsp60, as a protein found in all organisms, is of great interest in medicine, since it is present in m...
Dynamics in an unusual acyl carrier protein from a ladderane lipid‐synthesizing organism
Dynamics in an unusual acyl carrier protein from a ladderane lipid‐synthesizing organism
Abstract Anaerobic ammonium-oxidizing (anammox) bacteria express a distinct acyl carrier protein implicated in the biosynt...
Cover Image, Volume 90, Issue 1
Cover Image, Volume 90, Issue 1
Reverse Cover: © Science Photo Library RF/Getty Images
Identification, analysis, and modeling of the YUCCA protein family genome‐wide in Coffea canephora
Identification, analysis, and modeling of the YUCCA protein family genome‐wide in Coffea canephora
Abstract Auxin is involved in almost every aspect of plant growth and development, from embryogenesis to senescence. Indol...
Molecular dynamics and structural analysis of the binding of COP1 E3 ubiquitin ligase to β‐catenin and TRIB pseudokinases
Molecular dynamics and structural analysis of the binding of COP1 E3 ubiquitin ligase to β‐catenin and TRIB pseudokinases
Abstract Tribbles pseudokinases, TRIB1, TRIB2, and TRIB3 bind to Constitutive Photomorphogenic Protein 1 (COP1) E3 ligase ...
Crystal structure of O‐ureidoserine racemase found in the D‐cycloserine biosynthetic pathway
Crystal structure of O‐ureidoserine racemase found in the D‐cycloserine biosynthetic pathway
Abstract O-Ureidoserine racemase (DcsC) is an enzyme found from the biosynthetic gene cluster of antitubercular agent D-cy...
Isolation and characterization of ACE‐I inhibitory peptides from ribbonfish for a potential inhibitor of the main protease of SARS‐CoV‐2; an in‐silico analysis.
Isolation and characterization of ACE‐I inhibitory peptides from ribbonfish for a potential inhibitor of the main protease of SARS‐CoV‐2; an in‐silico analysis.
Abstract Recently, multi-functional fish peptides (FWPs) have gained a lot of attention because of their different biologi...
Issue Information ‐ Forthcoming
Issue Information ‐ Forthcoming
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Issue Information ‐ Table of Content
Issue Information ‐ Table of Content
Volume 89, Issue 12 p. 1603-1606 PDF ShareShare ...
Wool fiber curvature is correlated with abundance of K38 and specific keratin associated proteins
Wool fiber curvature is correlated with abundance of K38 and specific keratin associated proteins
Abstract Curvature in mammalian fibers, such as wool and human hair, is an important feature of the functional trait of co...
Scaling‐up a fragment‐based protein‐protein interaction method using a human reference interaction set
Scaling‐up a fragment‐based protein‐protein interaction method using a human reference interaction set
Abstract Protein-protein interactions (PPIs) are essential in understanding numerous aspects of protein function. Here, we...
Assessment of domain interactions in the fourteenth round of the Critical Assessment of Structure Prediction (CASP14)
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In Memoriam of Narayanaswamy Srinivasan (1962‐2021)
In Memoriam of Narayanaswamy Srinivasan (1962‐2021)
Bioinformatics Institute (BII), Agency for Science, Technology and Research (A*STAR), 30 Biopolis St...
Substrate‐Assisted Activation and Selectivity of the Bacterial RavD Effector Deubiquitinylase
Substrate‐Assisted Activation and Selectivity of the Bacterial RavD Effector Deubiquitinylase
Abstract Deubiquitinylases (DUBs) catalyze the specific cleavage of ubiquitin linkages at distinct protein substrates. Pat...
A novel chimeric protein with enhanced cytotoxic effects on breast cancer in vitro and in vivo
A novel chimeric protein with enhanced cytotoxic effects on breast cancer in vitro and in vivo
Abstract In our previous study, we reported the design and recombinant production of the p28-apoptin as a novel chimeric p...
Molecular insights into the inhibition of glutamate dehydrogenase by the dicarboxylic acid metabolites
Molecular insights into the inhibition of glutamate dehydrogenase by the dicarboxylic acid metabolites
Abstract Glutamate dehydrogenase (GDH) is a salient metabolic enzyme which catalyzes the NAD+- or NADP+-dependent reversib...
A C‐term truncated EIF2Bγ protein encoded by an intronically polyadenylated isoform introduces unfavorable EIF2Bγ‐EIF2γ interactions
A C‐term truncated EIF2Bγ protein encoded by an intronically polyadenylated isoform introduces unfavorable EIF2Bγ‐EIF2γ interactions
Abstract Eukaryotic translation initiates upon recruitment of the EIF2-GTP·Met-tRNAi ternary complex (TC) to the ribo...
Molecular investigation of the tandem Tudor domain and plant homeodomain histone binding domains of the epigenetic regulator UHRF2
Molecular investigation of the tandem Tudor domain and plant homeodomain histone binding domains of the epigenetic regulator UHRF2
Abstract Ubiquitin-like containing PHD and ring finger (UHRF)1 and UHRF2 are multidomain epigenetic proteins that play a c...
The non‐prion SUP35 preexists in large chaperone‐containing molecular complexes
The non‐prion SUP35 preexists in large chaperone‐containing molecular complexes
Abstract Prions, misfolded proteins that aggregate, cause an array of progressively deteriorating conditions to which curr...
Low‐frequency collective motion of DNA‐binding domain defines p53 function
Low‐frequency collective motion of DNA‐binding domain defines p53 function
Abstract Most mutations in the DNA-binding domain (DBD) of p53 inactivates or rescues the protein function interacting wit...
Pseudokinases repurpose flexibility signatures associated with the protein kinase fold for noncatalytic roles
Pseudokinases repurpose flexibility signatures associated with the protein kinase fold for noncatalytic roles
Abstract The bilobal protein kinase-like fold in pseudokinases lack one or more catalytic residues, conserved in canonical...
Chemical reactivity and binding interactions in ribonucleic acid‐peptide complexes
Chemical reactivity and binding interactions in ribonucleic acid‐peptide complexes
Abstract The covalent and noncovalent backbone binding interactions in RNA-peptide complexes were studied by DFT methods. ...
Tripeptide loop closure: a detailed study of reconstructions based on Ramachandran distributions
Tripeptide loop closure: a detailed study of reconstructions based on Ramachandran distributions
Abstract Tripeptide loop closure (TLC) is a standard procedure to reconstruct protein backbone conformations, by solving a...
Boosting the analysis of protein interfaces with Multiple Interface String Alignments: illustration on the spikes of coronaviruses
Boosting the analysis of protein interfaces with Multiple Interface String Alignments: illustration on the spikes of coronaviruses
Abstract We introduce Multiple Interface String Alignment (MISA), a visualization tool to display coherently various seque...
Functional antibody characterization via direct structural analysis and information‐driven protein‐protein docking
Functional antibody characterization via direct structural analysis and information‐driven protein‐protein docking
Abstract Detailed description of the mechanism of action of the therapeutic antibodies is essential for the functional cha...
Molecular investigation of the TTD and PHD histone binding domains of the epigenetic regulator UHRF2.
Molecular investigation of the TTD and PHD histone binding domains of the epigenetic regulator UHRF2.
Abstract UHRF1 and UHRF2 are multi-domain epigenetic proteins that play a critical role in bridging crosstalk between hist...
Mycobacterial membrane protein Large 3‐like‐family proteins in bacteria, protozoa, fungi, plants, and animals: A bioinformatics and structural investigation
Mycobacterial membrane protein Large 3‐like‐family proteins in bacteria, protozoa, fungi, plants, and animals: A bioinformatics and structural investigation
Abstract Lipid transporters play an important role in most if not all organisms, ranging from bacteria to humans. For exam...
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