Practical Fragments

This blog is meant to allow Fragment-based Drug Design Practitioners to get together and discuss NON-CONFIDENTIAL issues regarding fragments.

Showing posts with label crystallography artifact. Show all posts
Showing posts with label crystallography artifact. Show all posts
04 May 2026

(Not) getting misled by crystal structures part 6: low ligand occupancies

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It’s been a while since our last “getting misled by crystal structures” post . That one described unrecognized conformational heterogeneity ...
18 August 2025

Hundreds of crystallographic ligands for FABP4 – many not as expected

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The ten human fatty-acid binding proteins (FABPs) shuttle lipids around cells. As we noted several years ago, FABP4 and FABP5 are potential...
5 comments:
29 July 2024

How to avoid metal artifacts

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Back in 2017 we observed with characteristic subtlety that “heavy metals suck.” That post described a hit-finding campaign which foundered ...
03 July 2022

What belongs in the Protein Data Bank?

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The rise of high-throughput crystallography is among the most exciting recent developments for fragment finding. Historically deemed too sl...
2 comments:
21 September 2012

Fragments vs DDAH – covalent and noncovalent

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Using biochemical assays to find fragments sidesteps the need for expensive biophysical instruments, but is fraught with difficulties . In a...
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