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Publications
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Structural basis for allosteric regulation of mycobacterial guanosine 5′-monophosphate reductase by ATP and GTP
Nature Communications 17: 5166 (2026)
Guanosine 5′-monophosphate reductase (GMPR) is a crucial enzyme in the purine salvage pathway that catalyses the NADPH-dependent conversion of GMP to IMP, thereby contributing to purine nucleotide homeostasis. Mycobacterium smegmatis GMPR (MsmGMPR) contains a regulatory cystathionine β-synthase (CBS) domain, which mediates allosteric modulation by ATP and GTP. However, MsmGMPR exhibits an atypical tertiary structure that is incompatible with the acknowledged regulatory mechanisms of IMPDH/GMPR family enzymes. Here, we combine X-ray crystallography, cryogenic electron microscopy, and biochemical binding assays to elucidate the molecular basis of MsmGMPR regulation by ATP and GTP. We show that ATP stabilises a compressed conformation that inhibits the enzyme by restricting access to the active site and preventing NADPH binding. In contrast, GTP counteracts ATP binding, promoting an active conformation that enables catalysis. Our results provide insight into how MsmGMPR senses and…
Resolution of chiral drug cocrystals: complementary roles of NMR, low-frequency Raman and vibrational circular dichroism
Talanta 311: 130238 (2027)
From Disorder to Continuum: Accurate Hydrogen-Atom Positioning in Molecular Solids
Crystal Growth and Design 26 (13): 4948–4956 (2026)
Organelle-Resolved Tetrazine-trans-Cyclooctene Click Chemistry for Cargo Delivery and Release
Chemistry - A European Journal 2026: Early View
Proton Sharing in Polycarboxylic Acids in Aqueous Solution
JACS Au 6 (6): 3349–3355 (2026)