[HTML][HTML] Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix

D Liebschner, PV Afonine, ML Baker… - Biological …, 2019‏ - journals.iucr.org
Diffraction (X-ray, neutron and electron) and electron cryo-microscopy are powerful methods
to determine three-dimensional macromolecular structures, which are required to …

[HTML][HTML] Concepts and core principles of fragment-based drug design

P Kirsch, AM Hartman, AKH Hirsch, M Empting - Molecules, 2019‏ - mdpi.com
In this review, a general introduction to fragment-based drug design and the underlying
concepts is given. General considerations and methodologies ranging from library …

Generalized biomolecular modeling and design with RoseTTAFold All-Atom

R Krishna, J Wang, W Ahern, P Sturmfels, P Venkatesh… - Science, 2024‏ - science.org
Deep-learning methods have revolutionized protein structure prediction and design but are
presently limited to protein-only systems. We describe RoseTTAFold All-Atom (RFAA), which …

Fanzor is a eukaryotic programmable RNA-guided endonuclease

M Saito, P Xu, G Faure, S Maguire, S Kannan… - Nature, 2023‏ - nature.com
RNA-guided systems, which use complementarity between a guide RNA and target nucleic
acid sequences for recognition of genetic elements, have a central role in biological …

Cryo-EM structures of the active NLRP3 inflammasome disc

L **ao, VG Magupalli, H Wu - Nature, 2023‏ - nature.com
Inflammasomes are cytosolic innate immune complexes that activate caspase-1 following
detection of pathogenic and endogenous dangers,,,–, and NACHT-, leucine-rich repeat …

An allosteric pan-TEAD inhibitor blocks oncogenic YAP/TAZ signaling and overcomes KRAS G12C inhibitor resistance

TJ Hagenbeek, JR Zbieg, M Hafner, R Mroue… - Nature Cancer, 2023‏ - nature.com
The Hippo pathway is a key growth control pathway that is conserved across species. The
downstream effectors of the Hippo pathway, YAP (Yes-associated protein) and TAZ …

Design of protein-binding proteins from the target structure alone

L Cao, B Coventry, I Goreshnik, B Huang, W Sheffler… - Nature, 2022‏ - nature.com
The design of proteins that bind to a specific site on the surface of a target protein using no
information other than the three-dimensional structure of the target remains a challenge …

De novo design of protein interactions with learned surface fingerprints

P Gainza, S Wehrle, A Van Hall-Beauvais, A Marchand… - Nature, 2023‏ - nature.com
Physical interactions between proteins are essential for most biological processes
governing life. However, the molecular determinants of such interactions have been …

[HTML][HTML] Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2

P Han, L Li, S Liu, Q Wang, D Zhang, Z Xu, P Han, X Li… - Cell, 2022‏ - cell.com
Summary The coronavirus disease 2019 (COVID-19) pandemic continues worldwide with
many variants arising, some of which are variants of concern (VOCs). A recent VOC, omicron …

Virological characteristics of the SARS-CoV-2 Omicron BA. 2 subvariants, including BA. 4 and BA. 5

I Kimura, D Yamasoba, T Tamura, N Nao, T Suzuki… - Cell, 2022‏ - cell.com
After the global spread of the SARS-CoV-2 Omicron BA. 2, some BA. 2 subvariants,
including BA. 2.9. 1, BA. 2.11, BA. 2.12. 1, BA. 4, and BA. 5, emerged in multiple countries …