Conformational Plasticity in Broadly Neutralizing HIV-1 Antibodies Triggers Polyreactivity
Sign Up to like & getrecommendations! Published in 2018 at "Cell Reports"
DOI: 10.1016/j.celrep.2018.04.101
Abstract: Summary Human high-affinity antibodies to pathogens often recognize unrelated ligands. The molecular origin and the role of this polyreactivity are largely unknown. Here, we report that HIV-1 broadly neutralizing antibodies (bNAbs) are frequently polyreactive, cross-reacting… read more here.
Keywords: conformational plasticity; non hiv; hiv; polyreactivity ... See more keywords
Resolving Protein Conformational Plasticity and Substrate Binding via Machine Learning.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00932
Abstract: A long-standing target in elucidating the biomolecular recognition process is the identification of binding-competent conformations of the receptor protein. However, protein conformational plasticity and the stochastic nature of the recognition processes often preclude the assignment… read more here.
Keywords: recognition; conformational plasticity; machine learning; protein conformational ... See more keywords
Traversing through the Dynamic Protein-Protein Interaction Landscape and Conformational Plasticity of PD-1 for Small-Molecule Discovery.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of medicinal chemistry"
DOI: 10.1021/acs.jmedchem.2c00176
Abstract: Monoclonal antibodies (mAbs) blocking the PD-1/PD-L1 interface have shown remarkable success in treating malignancies, but they may also initiate lethal immune-related adverse events. Small molecules may circumvent the mAb limitations; however, none has entered clinical… read more here.
Keywords: interaction; protein protein; small molecule; protein interaction ... See more keywords
Millisecond dynamics of BTK reveal kinome-wide conformational plasticity within the apo kinase domain
Sign Up to like & getrecommendations! Published in 2017 at "Scientific Reports"
DOI: 10.1038/s41598-017-10697-0
Abstract: Bruton tyrosine kinase (BTK) is a key enzyme in B-cell development whose improper regulation causes severe immunodeficiency diseases. Design of selective BTK therapeutics would benefit from improved, in-silico structural modeling of the kinase’s solution ensemble.… read more here.
Keywords: wide conformational; kinase; kinase domain; millisecond ... See more keywords
The Effect of Cofactor Binding on the Conformational Plasticity of the Biological Receptors in Artificial Metalloenzymes: The Case Study of LmrR
Sign Up to like & getrecommendations! Published in 2019 at "Frontiers in Chemistry"
DOI: 10.3389/fchem.2019.00211
Abstract: The design of Artificial Metalloenzymes (ArMs), which result from the incorporation of organometallic cofactors into biological structures, has grown steadily in the last two decades and important new-to-Nature reactions have been reached. These type of… read more here.
Keywords: effect cofactor; binding conformational; cofactor binding; artificial metalloenzymes ... See more keywords
Conformational Plasticity of Centrin 1 from Toxoplasma gondii in Binding to the Centrosomal Protein SFI1
Sign Up to like & getrecommendations! Published in 2022 at "Biomolecules"
DOI: 10.3390/biom12081115
Abstract: Centrins are calcium (Ca2+)-binding proteins that are involved in many cellular functions including centrosome regulation. A known cellular target of centrins is SFI1, a large centrosomal protein containing multiple repeats that represent centrin-binding motifs. Recently,… read more here.
Keywords: toxoplasma gondii; conformational plasticity; centrosomal protein; centrin toxoplasma ... See more keywords
Untangling the Conformational Plasticity of V66M Human proBDNF Polymorphism as a Modifier of Psychiatric Disorder Susceptibility
Sign Up to like & getrecommendations! Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms23126596
Abstract: The human genetic variant BDNF (V66M) represents the first example of neurotrophin family member that has been linked to psychiatric disorders. In order to elucidate structural differences that account for the effects in cognitive function,… read more here.
Keywords: v66m; polymorphism; untangling conformational; conformational plasticity ... See more keywords