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by Eric Martz
After decades of slow progress by many groups, in 2020, AlphaFold2 proved able to accurately predict the detailed structures of two-thirds of single protein domains from their amino acid sequences. Pictured is AlphaFold2's prediction for the ORF8 protein of SARS-CoV-2 (black), compared with a subsequently published X-ray crystallographic structure (colors). ORF8 contributes to virulence in COVID-19.
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G Atilla-Gocumen, L Di Costanzo, E Meggers. J Biol Inorg Chem. 2010 doi: 10.1007/s00775-010-0699-x
A crystal structure of an organometallic half-sandwich ruthenium complex bound to glycogen synthase kinase 3ß (GSK-3ß) reveals that the inhibitor binds to the ATP binding site via an induced fit mechanism utilizing several hydrogen bonds and hydrophobic interactions. Importantly, the metal is not involved in any direct interaction with the protein kinase but fulfills a purely structural role.

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by Angel Herráez
Side-by-side display of dihedral angles in a 3D model of a tripeptide and its Ramachandran plot. Users can interact with any of them and the other will change accordingly. Includes animated rotations with display of clashes.

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