PMID-sentid Pub_year Sent_text compound_name comp_offset prot_official_name organism prot_offset 30909817-1 2020 The X-ray crystal structures of HDAC8 complexed with largazole thiol (LAR, PubChem CID: 56663191) and its synthetic variants (Ligand ID in PDB, PubChem CID: L6G, 91667418; L7G, 91667421; L8G, 91667420) (PDB codes: 3RQD, 4RN0, 4RN2 and 4RN1) were analyzed using molecular dynamics simulations to comprehend protein-ligand nonbonding energies (NBEs). Largazole Thiol 53-68 histone deacetylase 8 Homo sapiens 32-37 31057077-9 2020 This may be attributed to bulkiness of the capping groups of both largazole thiol and trapoxin A, making them unable to fit well into the active site of HDAC8. Largazole Thiol 66-81 histone deacetylase 8 Homo sapiens 153-158