Macromolecular modeling and design in Rosetta: recent methods and frameworks
The Rosetta software for macromolecular modeling, docking and design is extensively used
in laboratories worldwide. During two decades of development by a community of …
in laboratories worldwide. During two decades of development by a community of …
Cryo-EM in drug discovery: achievements, limitations and prospects
JP Renaud, A Chari, C Ciferri, W Liu… - Nature reviews Drug …, 2018 - nature.com
Cryo-electron microscopy (cryo-EM) of non-crystalline single particles is a biophysical
technique that can be used to determine the structure of biological macromolecules and …
technique that can be used to determine the structure of biological macromolecules and …
[HTML][HTML] Structure of Hsp90–Hsp70–Hop–GR reveals the Hsp90 client-loading mechanism
RYR Wang, CM Noddings, E Kirschke, AG Myasnikov… - Nature, 2022 - nature.com
Maintaining a healthy proteome is fundamental for the survival of all organisms. Integral to
this are Hsp90 and Hsp70, molecular chaperones that together facilitate the folding …
this are Hsp90 and Hsp70, molecular chaperones that together facilitate the folding …
[HTML][HTML] Structure of microbial nanowires reveals stacked hemes that transport electrons over micrometers
Summary Long-range (> 10 μm) transport of electrons along networks of Geobacter
sulfurreducens protein filaments, known as microbial nanowires, has been invoked to …
sulfurreducens protein filaments, known as microbial nanowires, has been invoked to …
Tectonic conformational changes of a coronavirus spike glycoprotein promote membrane fusion
The tremendous pandemic potential of coronaviruses was demonstrated twice in the past
few decades by two global outbreaks of deadly pneumonia. The coronavirus spike (S) …
few decades by two global outbreaks of deadly pneumonia. The coronavirus spike (S) …
Simultaneous optimization of biomolecular energy functions on features from small molecules and macromolecules
Most biomolecular modeling energy functions for structure prediction, sequence design, and
molecular docking have been parametrized using existing macromolecular structural data; …
molecular docking have been parametrized using existing macromolecular structural data; …
Cryo-electron microscopy structure of a coronavirus spike glycoprotein trimer
The tremendous pandemic potential of coronaviruses was demonstrated twice in the past
few decades by two global outbreaks of deadly pneumonia. Entry of coronaviruses into cells …
few decades by two global outbreaks of deadly pneumonia. Entry of coronaviruses into cells …
Atomic structure of Hsp90-Cdc37-Cdk4 reveals that Hsp90 traps and stabilizes an unfolded kinase
The Hsp90 molecular chaperone and its Cdc37 cochaperone help stabilize and activate
more than half of the human kinome. However, both the mechanism by which these …
more than half of the human kinome. However, both the mechanism by which these …
Automated structure refinement of macromolecular assemblies from cryo-EM maps using Rosetta
Cryo-EM has revealed the structures of many challenging yet exciting macromolecular
assemblies at near-atomic resolution (3–4.5 Å), providing biological phenomena with …
assemblies at near-atomic resolution (3–4.5 Å), providing biological phenomena with …
A structural model of the endogenous human BAF complex informs disease mechanisms
Mammalian SWI/SNF complexes are ATP-dependent chromatin remodeling complexes that
regulate genomic architecture. Here, we present a structural model of the endogenously …
regulate genomic architecture. Here, we present a structural model of the endogenously …