Dynamics of Ligand Binding Sites and Chloride Penetration in a Bitter Taste GPCR
Niv, M. Y. et al.
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#GPCR #LigandBinding #ChloridePenetration

In 216 ligand-bound structures of human FABP isoforms, many at better than 1.2 Å resolution, an estimated 15% of the ligands had a different chemical composition to that expected #StructureBasedDrugDesign #FattyAcidBindingProteins #LigandBinding doi.org/10.1107/S205...

A set of 229 crystal structures of human and mouse FABPs are reported with a median resolution of 1.2 Å, 216 of which have a ligand bound. Many structures also have additional affinity data. #IsoformSpecificity #CrystalPathologies #LigandBinding doi.org/10.1107/S205...

A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands Very high-resolution fatty acid-binding protein structures identified a substantial number of ligands that differ strongly from their expected structure. If different ligand chemistry is a potentially...

Andreas Ehler et al.: A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands #StructureBasedDrugDesign #FattyAcidBindingProteins #LigandBinding doi.org/10.1107/S205... #IUCr

A high-resolution data set of fatty acid-binding protein structures. II. Crystallographic overview, ligand classes and binding pose A high-quality set of 229 crystal structures of various isoforms of human and mouse fatty acid-binding proteins in apo and ligand-bound forms is presented. Many ligands have associated affinity data, ...

Andreas Ehler et al. A high-resolution data set of fatty acid-binding protein structures. II. Crystallographic overview, ligand classes and binding pose #IsoformSpecificity #CrystalPathologies #LigandBinding doi.org/10.1107/S205... #IUCr

Evaluation of predictions of disordered binding regions in the CAID2 experiment. Computational and Structural Biotechnology Journal, DOI: https://doi.org/10.1016/j.csbj.2024.12.009

🧠 How do prediction models perform in recognizing disordered regions with specific binding functions?

🔗 Evaluation of predictions of disordered binding regions in the CAID2 experiment. DOI: doi.org/10.1016/j.cs...

📚 CSBJ: www.csbj.org

#CAID2 #LigandBinding #IntrinsicallyDisorderedProteins #AI

Cryo2RT is a high-throughput RT data-collection method from cryo-cooled crystals that reveals unique ligand-binding poses and enables high-throughput fragment-based screening at RT #MacromolecularCrystallography #RoomTemperature #LigandBinding t.co/FZkPd8E0Y0