A snapshot love story: What serial crystallography has done and will do for us

A Henkel, D Oberthür - Biological Crystallography, 2024 - journals.iucr.org
Serial crystallography, born from groundbreaking experiments at the Linac Coherent Light
Source in 2009, has evolved into a pivotal technique in structural biology. Initially pioneered …

Covalent fragment approaches targeting non-cysteine residues

N Csorba, P Ábrányi-Balogh, GM Keserű - Trends in Pharmacological …, 2023 - cell.com
Covalent fragment approaches combine advantages of covalent binders and fragment-
based drug discovery (FBDD) for target identification and validation. Although early …

Pushed to extremes: distinct effects of high temperature versus pressure on the structure of STEP

L Guerrero, A Ebrahim, BT Riley, M Kim… - Communications …, 2024 - nature.com
Protein function hinges on small shifts of three-dimensional structure. Elevating temperature
or pressure may provide experimentally accessible insights into such shifts, but the effects of …

Uncovering protein ensembles: automated multiconformer model building for X-ray crystallography and cryo-EM

SA Wankowicz, A Ravikumar, S Sharma, BT Riley… - …, 2024 - pmc.ncbi.nlm.nih.gov
In their folded state, biomolecules exchange between multiple conformational states that are
crucial for their function. Traditional structural biology methods, such as X-ray …

Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2)

JEH Day, V Berdini, J Castro, G Chessari… - Journal of Medicinal …, 2024 - ACS Publications
The ubiquitously expressed protein tyrosine phosphatase SHP2 is required for signaling
downstream of receptor tyrosine kinases (RTKs) and plays a role in regulating many cellular …

Modular droplet injector for sample conservation providing new structural insight for the conformational heterogeneity in the disease-associated NQO1 enzyme

D Doppler, M Sonker, A Egatz-Gomez, A Grieco… - Lab on a Chip, 2023 - pubs.rsc.org
Droplet injection strategies are a promising tool to reduce the large amount of sample
consumed in serial femtosecond crystallography (SFX) measurements at X-ray free electron …

A review of biophysical strategies to investigate protein-ligand binding: What have we employed?

Z Zhao, L Zhao, C Kong, J Zhou, F Zhou - International Journal of Biological …, 2024 - Elsevier
The protein-ligand binding frequently occurs in living organisms and plays a crucial role in
the execution of the functions of proteins and drugs. It is also an indispensable part of drug …

Interplay of structural preorganization and conformational sampling in UDP-glucuronic acid 4-epimerase catalysis

C Rapp, A Borg, B Nidetzky - Nature Communications, 2024 - nature.com
Understanding enzyme catalysis as connected to protein motions is a major challenge.
Here, based on temperature kinetic studies combined with isotope effect measurements, we …

Automated multiconformer model building for X-ray crystallography and cryo-EM

SA Wankowicz, A Ravikumar, S Sharma, B Riley… - eLife, 2024 - elifesciences.org
In their folded state, biomolecules exchange between multiple conformational states that are
crucial for their function. Traditional structural biology methods, such as X-ray …

[PDF][PDF] High-resolution double vision of the allosteric phosphatase PTP1B

S Sharma, T Skaist Mehlman… - … Section F: Structural …, 2024 - journals.iucr.org
Protein tyrosine phosphatase 1B (PTP1B) plays important roles in cellular homeostasis and
is a highly validated therapeutic target for multiple human ailments, including diabetes …