More Like this

1. Insight into the conserved structural dynamics of the C-terminus of mammal PrPC identifies structural core and possible structural role of pharmacological chaperones

   https://doi.org/10.1080/19336896.2023.2186674  

   Soto, Patricia ; Gloeb, Garrett M. ; Tsuchida, Kaitlin A. ; Charles, Austin A. ; Greenwood, Noah M. ; Hendrickson, Heidi ( December 2023 , Prion)
2. Quantitative 3D structural analysis of the cellular microstructure of sea urchin spines (II): Large-volume structural analysis

   https://doi.org/10.1016/j.actbio.2020.03.006  

   Chen, Hongshun ; Yang, Ting ; Wu, Ziling ; Deng, Zhifei ; Zhu, Yunhui ; Li, Ling ( April 2020 , Acta Biomaterialia)
3. Synthesis, Structural Characterization and Chemical Bonding of Sr 7 Li 6 Sn 12 and its Quaternary Derivatives with Eu and Alkaline Earth Metal (Mg, Ca, Ba) Substitutions. A Tale of Seven Li-Containing Stannides and Two Complex Crystal Structures: Synthesis, Structural Characterization and Chemical Bonding of Sr7Li6Sn12 and its Quaternary Derivatives with Eu and Alkaline Earth Metal (Mg, Ca, Ba)

   https://doi.org/10.1002/ejic.202000179  

   Osman, Hussien H. ; Bobev, Svilen ( May 2020 , European Journal of Inorganic Chemistry)
4. Structural Impact of Chelation on Phytate, a Highly Phosphorylated Biomolecule: Structural Impact of Chelation on Phytate, a Highly Phosphorylated Biomolecule

   https://doi.org/10.1002/ejic.201900091  

   Reinmuth, Molly ; Pramanik, Subhamay ; Douglas, Justin T. ; Day, Victor W. ; Bowman-James, Kristin ( April 2019 , European Journal of Inorganic Chemistry)
5. Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry

   https://doi.org/10.1038/s41467-022-33575-4  

   Dixon, Tom ; MacPherson, Derek ; Mostofian, Barmak ; Dauzhenka, Taras ; Lotz, Samuel ; McGee, Dwight ; Shechter, Sharon ; Shrestha, Utsab R. ; Wiewiora, Rafal ; McDargh, Zachary A. ; et al ( December 2022 , Nature Communications)

   Abstract Targeted protein degradation (TPD) is a promising approach in drug discovery for degrading proteins implicated in diseases. A key step in this process is the formation of a ternary complex where a heterobifunctional molecule induces proximity of an E3 ligase to a protein of interest (POI), thus facilitating ubiquitin transfer to the POI. In this work, we characterize 3 steps in the TPD process. (1) We simulate the ternary complex formation of SMARCA2 bromodomain and VHL E3 ligase by combining hydrogen-deuterium exchange mass spectrometry with weighted ensemble molecular dynamics (MD). (2) We characterize the conformational heterogeneity of the ternary complex using Hamiltonian replica exchange simulations and small-angle X-ray scattering. (3) We assess the ubiquitination of the POI in the context of the full Cullin-RING Ligase, confirming experimental ubiquitinomics results. Differences in degradation efficiency can be explained by the proximity of lysine residues on the POI relative to ubiquitin. 

   more » « less