8ZBH
Crystal structure of TEAD3 YAP binding domain with compound 3
This is a non-PDB format compatible entry.
Summary for 8ZBH
| Entry DOI | 10.2210/pdb8zbh/pdb |
| Related | 8ZBG |
| Descriptor | Transcriptional enhancer factor TEF-5, 1-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-isoquinolin-2-yl]propan-1-one (3 entities in total) |
| Functional Keywords | transcription factor, tead3, transcription |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 3 |
| Total formula weight | 77187.64 |
| Authors | |
| Primary citation | Kim, J.,Kim, H.,Kim, J.,Cho, S.Y.,Moon, S.,Yoo, Y.,Kim, H.,Kim, J.K.,Jeon, H.,Namkung, W.,Han, G.,No, K.T. Pan-Transcriptional Enhanced Associated Domain Palmitoylation Pocket Covalent Inhibitor. J.Med.Chem., 67:18957-18968, 2024 Cited by PubMed Abstract: In the Hippo signaling pathway, the palmitoylated transcriptional enhanced associated domain (TEAD) protein interacts with the coactivator Yes-associated protein/PDZ-binding motif, leading to transcriptional upregulation of oncogenes such as Ctgf and Cyr61. Consequently, targeting the palmitoylation sites of TEAD has emerged as a promising strategy for treating TEAD-dependent cancers. Compound was identified using a structure-based drug design approach, leveraging the molecular insights gained from the known TEAD palmitoylation site inhibitor, K-975. Optimization of the initial hit compound resulted in the development of compound , a covalent pan-TEAD inhibitor characterized by high potency and oral bioavailability. PubMed: 39487823DOI: 10.1021/acs.jmedchem.4c01393 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.6 Å) |
Structure validation
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