Insights into Conformational Ensembles of Compositionally Identical Disordered Peptidomimetics [PDF]
, 2023 While the conformational ensembles of disordered peptides and peptidomimetics are complex and challenging to characterize, they are a critical component in the paradigm connecting macromolecule sequence, structure, and function.
Melissa A., Yu +10 more
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Weak Interactions and Conformational Changes in Core-Protonated A2- and Ax-Type Porphyrin Dications
Molecules, 2020 Individual chemical motifs are known to introduce structural distortions to the porphyrin macrocycle, be it in the core or at the periphery of the macrocycle.
Christopher J. Kingsbury +4 more
doaj +1 more source
Conserved binding mode but diverse interfaces of MreC‐PBP2 interactions
FEBS Letters, EarlyView.The crystal structure of abMreC reveals a conserved two β‐barrel architecture and provides structural insights into its role within the bacterial elongasome. The abMreC–abPBP2 complex model identifies the molecular basis of MreC‐mediated PBP2 recognition, contributing to the regulation of peptidoglycan synthesis.
Hyunseok Jang +4 more
wiley +1 more source
Applications of artificial intelligence in conformational analysis.
, 1995 Conformational analysis provides a means of understanding a wide variety of chemical interactions. However, the complexity of the potential energy hypersurface for large molecules has restricted the use of conformational search in molecular modeling. The
Walters, William Patrick.
core +5 more sources
Molecules, 2018 Chiroptical spectra such as electronic circular dichroism (ECD) are said to be much more sensitive to conformation than their non-chiroptical counterparts, however, it is difficult to demonstrate such a common notion in a clear-cut way.
Daniele Padula, Gennaro Pescitelli
doaj +1 more source
An epithelial GPR35 isoform supports tumor‐associated transcriptional and metabolic phenotypes
FEBS Letters, EarlyView.GPR35 generates two functionally distinct isoforms with previously unresolved roles. GPR35‐short mediates immune‐cell chemotaxis, while GPR35‐long is enriched in colorectal cancer epithelium, where it supports increased metabolism, proliferation, and tumor‐associated transcriptional programs.
Jørgen D. Rønneberg +14 more
wiley +1 more source
Substrate entering and product leaving trajectories predict an engulfing dynamic for the major conformational change of the β-lactam acylase [PDF]
, 2008 It is still a major challenge to acquire insight into the conformational changes between the ground state and the transition state of an enzyme, although conformational fluctuation within interconverting conformers has been widely investigated (1-4 ...
Xi Huang +4 more
core
Conformational flexibility influences structure–function relationships in tyrosyl protein sulfotransferase-2 [PDF]
, 2016 Tyrosine sulfation is a very important posttranslational modification of proteins. It is catalyzed by tyrosylprotein sulfotransferase and recently became increasingly important for biomedicine and pharmacy.
Karabencheva-Christova, T. G. +8 more
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Structure‐forward targeting of claudins with synthetic binders
FEBS Letters, EarlyView.Claudins form the paracellular barriers between epithelial and endothelial tissues at tight junctions and are targets for molecular binders with the goal of modulating barrier permeability. Claudin‐binding molecules are relevant in drug delivery or in altering claudin interactions with disease‐causing proteins.
Alex J. Vecchio
wiley +1 more source
Conformational dynamics, ligand binding and effects of mutations in NirE an S-adenosyl-L-methionine dependent Methyltransferase [PDF]
, 2016 Heme d1, a vital tetrapyrrol involved in the denitrification processes is synthesized from its precursor molecule precorrin-2 in a chemical reaction catalysed by an S-adenosyl-L-methionine (SAM) dependent Methyltransferase (NirE).
Singh, Warispreet +5 more
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