Dataset at https://github.com/Rostlab/bindPredict/tree/master/data
License: MIT
Provenance: PDB data (CC0 1.0 Universal (CC0 1.0) Public Domain Dedication.). Annotations from BioLiP v1. Curated by RostLab. ZhanLab confirmed authorization to re-distribute remixed BioLiP v1 data on December 21, 2024 per email.
Attributed to:
H.M. Berman, J. Westbrook, Z. Feng, G. Gilliland, T.N. Bhat, H. Weissig, I.N. Shindyalov, P.E. Bourne, The Protein Data Bank (2000) Nucleic Acids Research 28: 235-242 https://doi.org/10.1093/nar/28.1.235.
Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013).
Littmann M, Heinzinger M, Dallago C, Weissenow K, Rost B. Protein embeddings and deep learning predict binding residues for various ligand classes. Sci Rep 11, 23916 (2021). https://doi.org/10.1038/s41598-021-03431-4