Researchers studied 36 DNA-based molecular junctions and discovered factors that yield superior self-assembled 3D lattice structures. The work expands the set of building blocks for lattices that can scaffold molecules into regular arrays, from proteins for structure studies to nanoparticles for nano-antennas and single-particle sensors. Read more »
Protein Structures Aren’t Set in Stone
A group of researchers studying the world’s most abundant protein, an enzyme involved in photosynthesis called rubisco, showed how evolution can lead to a surprising diversity of molecular assemblies that all accomplish the same task. The findings reveal the possibility that many of the proteins we thought we knew actually exist in other, unknown shapes. Read more »
Deep-Learning AI Program Accurately Predicts Key Rotavirus Protein Fold
Rotaviruses are the major causative agents of gastroenteritis worldwide. Attempts to design vaccines are complicated by the rotaviruses’ enormous genetic and immunological diversity. At the ALS, researchers validated the novel structure of a key rotavirus protein, predicted using AlphaFold2, a deep-learning artificial-intelligence program. Read more »
Molecular Switch Triggers Changes in Plant Structure
Using x-ray crystallography, biochemistry, and plant genetics, researchers identified a molecular switch that triggers modifications to plant structure in response to environmental conditions. A greater understanding of this adaptive process will help scientists optimize plants for efficient nutrient uptake and resistance to parasitic species. Read more » 
Bacterial Enzyme Produces Biodegradable Polymer
Researchers discovered a bacterial enzyme that synthesizes a biopolymer whose repeating units are linked together in way that had not been previously observed. The new polymer is biodegradable and may be biocompatible, with potential for applications ranging from medical therapeutics to eco-friendly plastic alternatives. Read more »
DNA Synthesis: Flip It and Reverse It
What if the current model for DNA synthesis were flipped on its head? Using time-resolved x-ray crystallography, researchers gained new insights into this essential biological process, revealing that two steps in the synthesis pathway are, in reality, reversed. Read more »
Researchers Set Sights on Another COVID-19 Target
Early in the COVID-19 pandemic, it was quickly established that the receptor binding domain (RBD) of the SARS-CoV-2 spike protein is a prime target for neutralizing antibodies. Now, scientists have found a second region of the spike protein that is targeted by dozens of antibodies, some of which exhibit ultrapotent neutralizing activity. Read more »
Structure of blood coagulation factor VIII in complex with an anti–C1 domain pathogenic antibody inhibitor
van der Waals sphere representation of the factor VIII C1 domain, highlighting surface‐exposed hemophilia A–associated mutations that cause impaired von Willebrand factor binding and overlap with a pathogenic anti‐C1 domain inhibitor epitope. Read more »
Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology
LONP1 is an AAA+ protease that maintains mitochondrial homeostasis by removing damaged or misfolded proteins. Elevated activity and expression promotes cancer cell proliferation and resistance to apoptosis-inducing reagents. Herein, we report the development of selective boronic acid-based LONP1 inhibitors using structure-based drug design as well as the first structures of human LONP1 bound to various inhibitors. Read more »
Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3H)-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor
The cover feature shows a chessboard (representative of KRAS mutant cells) and how the concerted action of the MEK inhibitor cobimetinib (rook) and the new selective pan-RAF inhibitor GNE-0749 (queen) force the opposing king (phospho-ERK, the downstream signaling node of RAF and MEK) into checkmate. Read more »
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