9SYN

Crystal structure of TEAD4 in complex with Vgll1-peptide and IAG933

9SYN の概要

• エントリーDOI: 10.2210/pdb9syn/pdb
• 分子名称: Transcriptional enhancer factor TEF-3, Transcription cofactor vestigial-like protein 1, MYRISTIC ACID, ... (5 entities in total)
• 機能のキーワード: inhibitor, complex, transcription
• 由来する生物種: Homo sapiens (human); 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 28287.31

構造登録者

Scheufler, C.,Villard, F. (登録日: 2025-10-13, 公開日: 2026-03-11)

主引用文献

Vogtle, M.,Sellner, H.,Chapeau, E.,Furet, P.,Salem, B.,Le Douget, M.,Bordas, V.,Groell, J.M.,Le Goff, A.L.,Rouzet, C.,Wietlisbach, T.,Zimmermann, T.,McKenna, J.,Brocklehurst, C.E.,Chene, P.,Wartmann, M.,Scheufler, C.,Kallen, J.,de Kanter, R.,Harlfinger, S.,Zecri, F.,Schmelzle, T.,Soldermann, N.
Discovery of Clinical Candidate IAG933, a Potent YAP-TEAD PPI Disrupter.
J.Med.Chem., 2026

PubMed Abstract: The interaction of transcriptional enhanced associate domain (TEAD) and transcriptional coactivator yes-associated protein (YAP) mediates oncogenic functions downstream of the Hippo pathway. In this report, we outline our efforts to find a potent inhibitor of this protein-protein interaction with suitable properties for clinical evaluation. We detail the medicinal chemistry program that led to the discovery of IAG933, an inhibitor with a balanced ADME profile, enabling its evaluation as a potential treatment option in clinical settings.

PubMed: 41780024
DOI: 10.1021/acs.jmedchem.5c03009

実験手法

X-RAY DIFFRACTION (1.3 Å)