Download:

1. DrugDomain_v1.0_data_PDBs_ECODv291.txt - domain annotations for all human proteins that are targets for small molecules and drugs from DrugBank and that have experimentally determined PDB structures

2. DrugDomain_v1.0_data_AlphaFill.txt - domain annotations for all human proteins that are targets for small molecules and drugs from DrugBank and that DO NOT have experimentally determined PDB structures

3. AllPTMs_per_residue_with_ligs.txt - list of all identified small molecule binding-associated PTMs

4. PTMs_pdb_structures_ECOD_domains_with_ligs.txt - domain annotations for identified small molecule binding-associated PTMs in PDB structures

5. PTMs_alphafill_models_ECOD_domains_with_ligs.txt - domain annotations for identified small molecule binding-associated PTMs in AlphaFill models

6. PTMs_test_set_models.tar.gz - AlphaFold3, RFAA and Chai-1 models for PTMs test set (see our paper for details)

7. PTMs_our_set_models.tar.gz - AlphaFold3, RFAA and Chai-1 models for DrugDomain PTMs set (see our paper for details)