1. ABOUT THE DATASET
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Title:	Data for "Kinetic Steering of Amyloid Formation"

Creator(s): Alexander I. P. Taylor[1], Yong Xu[1], Martin Wilkinson[1], Pijush Chakraborty[1], Alice Brinkworth[1], Leon F. Willis[1], Anastasia Zhuravleva[1], Neil A. Ranson[1], Richard Foster[1], Sheena E. Radford[1]

Organisation(s): 1. University of Leeds

Rights-holder(s): Unless otherwise stated, Copyright 2024 University of Leeds

Publication Year: 2025

Description: Data files for publication "Kinetic Steering of Amyloid Formation and Polymorphism by Canagliflozin, a Type-2 Diabetes Drug."

Cite as: Taylor, A. I. P., Xu, Y., Wilkinson, M., Chakraborty, P., Brinkworth, A., Willis, L. F., Zhuravleva, A., Ranson, N. A., Foster, R., and Radford, S. E. (2025): Data for "Kinetic Steering of Amyloid Formation". University of Leeds. [Dataset] https://doi.org/10.5518/1604.

Related publication: Taylor, A. I. P., Xu, Y., Wilkinson, M., Chakraborty, P., Brinkworth, A., Willis, L. F., Zhuravleva, A., Ranson, N. A., Foster, R., and Radford, S. E. (2025) Kinetic Steering of Amyloid Formation and Polymorphism by Canagliflozin, a Type-2 Diabetes Drug. JACS (accepted).

Contact: Alexander I. P. Taylor (a.taylor10@leeds.ac.uk), Sheena E. Radford (s.e.radford@leeds.ac.uk)


2. TERMS OF USE
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Unless otherwise stated, this dataset is licensed under a Creative Commons Attribution 4.0 International Licence: https://creativecommons.org/licenses/by/4.0/.]


3. PROJECT AND FUNDING INFORMATION
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Title: Kinetic Steering of Amyloid Formation

Dates: NA

Funding organisation: Wellcome, MRC, EPSRC, Royal Society

Grant no.: Wellcome 204963, MRC MR/T011149/1, EPSRC APP12867, Royal Society RSRP\R1\211057


4. CONTENTS
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File listing:
1_ThT_preliminary_SAR.csv - ThT kinetics for the preliminary SAR (Fig. S1)
2_ROCS_enantiomer_1.csv - ROCS searches against YX-I-1 enantiomer 1
3_ROCS_enantiomer_2.csv - ROCS searches against YX-I-1 enantiomer 2
4_absorbance_compound_solubility.csv - Compound solubility screening by absorbance spectroscopy (Fig. S3)
5_Capflex_compound_solubility.csv - Compound solubility screening by Capflex (Fig. S3)
6_TDA_compound_solubility.csv - Additional TDA experiments to confirm compound solubility (Fig. S4)
7_ThT_assembly_mechanism.csv - ThT kinetics to investigate the assembly mechanism of IAPP (Fig. S5)
8_ThT_kinetic_screening.csv - ThT kinetics to screen for inhibitors of IAPP assembly (Fig. 2, Fig. S6)
9_ThT_sequence_specificity.csv - ThT kinetics to test the sequence-specificity of compounds (Fig. S7)
10_ThT_compound_dependence.csv - ThT kinetics of IAPP at varying compound concentrations (Fig. 3)
11_ThT_intermediate_pelleting.csv - ThT kinetics for pelleting of IAPP at intermediate assembly stages (Fig. S9)
12_HPLC_intermediate_pelleting.csv - HPLC analysis for pelleting of IAPP at intermediate assembly stages (Fig. S9)
13_SPR_monomer_binding.csv - SPR experiments to evaluate binding of compounds to IAPP monomer (Fig. 4)
14_SPR_canagliflozin_titration.csv - SPR titration of canagliflozin against IAPP monomer (Fig. S11)
15_NMR_data.zip - NMR data for the paper (Fig. 4, Fig. 5, Fig. S12)
16_absorbance_compound_pelleting.csv - Absorbance spectra for co-pelleting of fibrils and compounds (Fig. 6)
17_Capflex_compound_pelleting.csv - Capflex data showing binding of compounds to fibrils (Fig. 6)
18_EM_fibril_crossovers.csv - Fibril crossover distributions from cryo-EM (Fig. 7)
19_EM_fibril_subunit_folds.csv - Fibril subunit fold distributions from cryo-EM (Fig. 8)
20_ThT_seeded_aggregation.csv - ThT kinetics of seeded IAPP assembly (Fig. S17)


5. METHODS
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For full method details, see the associated publication or contact the corresponding authors.