Docking for Smoothened antagonist chemotypes not susceptible to a vismodegib-resistance mutation.
Titulaer WHC. et al, (2025), Eur J Med Chem, 296
The E3 ubiquitin ligase MGRN1 targets melanocortin receptors MC1R and MC4R via interactions with transmembrane adapters.
Parashara P. et al, (2025), bioRxiv
Mapping structural and dynamic divergence across the MBOAT family.
Ansell TB. et al, (2024), Structure (London, England : 1993)
Diverse genetic causes of amenorrhea in an ethnically homogeneous cohort and an evolving approach to diagnosis.
Bakhshalizadeh S. et al, (2024), Molecular and cellular endocrinology
Design, Synthesis, and Evaluation of Inhibitors of Hedgehog Acyltransferase.
Ritzefeld M. et al, (2024), Journal of medicinal chemistry
LipIDens: simulation assisted interpretation of lipid densities in cryo-EM structures of membrane proteins.
Ansell TB. et al, (2023), Nature communications, 14
The energetics and ion coupling of cholesterol transport through Patched1
Ansell TB. et al, (2023), Science Advances, 9
Rocking the MBOAT: Structural insights into the membrane bound O-acyltransferase family.
Coupland CE. et al, (2023), Curr Opin Struct Biol, 80
The Inseparable Relationship Between Cholesterol and Hedgehog Signaling.
Siebold C. and Rohatgi R., (2023), Annu Rev Biochem
Hedgehog-Interacting Protein is a multimodal antagonist of Hedgehog signalling
Griffiths SC. et al, (2021), Nature Communications, 12
Structure, mechanism, and inhibition of Hedgehog acyltransferase
Coupland CE. et al, (2021), Molecular Cell, 81, 5025 - 5038.e10
Patched 1 reduces the accessibility of cholesterol in the outer leaflet of membranes.
Kinnebrew M. et al, (2021), eLife, 10
Relative Affinities of Protein–Cholesterol Interactions from Equilibrium Molecular Dynamics Simulations
Ansell TB. et al, (2021), Journal of Chemical Theory and Computation, 17, 6548 - 6558
Photochemical Probe Identification of a Small‐Molecule Inhibitor Binding Site in Hedgehog Acyltransferase (HHAT)**
Lanyon‐Hogg T. et al, (2021), Angewandte Chemie, 133, 13654 - 13659
Photochemical Probe Identification of a Small-Molecule Inhibitor Binding Site in Hedgehog Acyltransferase (HHAT)*.
Lanyon-Hogg T. et al, (2021), Angewandte Chemie (International ed. in English), 60, 13542 - 13547
Simultaneous binding of Guidance Cues NET1 and RGM blocks extracellular NEO1 signaling
Robinson RA. et al, (2021), Cell, 184, 2103 - 2120.e31
The Energetics of Cholesterol Transport through Patched1: MD Simulations and Free Energy Calculations
Ansell TB. et al, (2021), BIOPHYSICAL JOURNAL, 120, 72A - 72A