Recent Experiments

More crystals through XChem

Following an early commissioning stage, XChem crystallised its core xray collection protocol as 180 degrees rotation in 60 seconds, which provides PanDDA with good datasets. But what has never been fully characterised is the lowest dose per crystal required for PanDDA to work. XChem now has an established hit rate profile where, based on our Read More …

Selective CDKL2 inhibitors – molecular modeling

At SGC we are interested in developing protein kinase inhibitors with a high selectivity towards other protein kinases. Based on lead compounds from the literature and our group new and selective CDKL2 inhibitors should be designed, synthesized and tested. Carla Alamillo, a former member of our group, worked on this topic and mentioned in her Read More …

Determining the nanoBRET ALK2 IC50 values of 24 new ACVR1/ALK2 inhibitors

In an effort to develop clinical compounds for Diffused Intrinsic Pontine Glioma (DIPG) treatment, new analogues of ACVR1/ALK2 inhibitors are continuously synthesised by Ontario Institute for Cancer Research (OICR) and Charles River Laboratories (CRL). I will provide prompt feedback of the cellular assay results to guide their design of new compounds. I determined the potency Read More …

Update on batch deposition of XChem structures

The year is coming to an end and I want to start my blog by giving you an overview of a project that kept me busy for the better part of it. Our existing Protein Data Bank (PDB) batch deposition mechanism underwent a major overhaul recently and we are finally in a position where we Read More …

USP Zf-UBD Crystallography Pipeline Pt 2.

In a previous post, I described the importance of solving the structure of other USPs that have a Zf-UBD for the rational design of selective compounds. The last post described the design, cloning, E.coli expression, growth and purification of some of the USP Zf-UBD constructs. As a continuation in my quest to try and crystallize Read More …