HADDOCK-Guided Modeling and Molecular Simulations of Cereblon-Based Ternary Complexes: Development of novel PROTACs for Ataxia telangiectasia and RAD3-Related (ATR) kinase

Sarnow, Anne‐Christin; Nassar, Husam; M. Alfayomy, Abdallah; Robaa, Dina; Sippl, Wolfgang

doi:10.26434/chemrxiv-2025-x1982

Public

HADDOCK-Guided Modeling and Molecular Simulations of Cereblon-Based Ternary Complexes: Development of novel PROTACs for Ataxia telangiectasia and RAD3-Related (ATR) kinase

Published in ChemRxiv • Mar 10, 2025

Authors:

Anne‐Christin Sarnow

Husam Nassar

Abdallah M. Alfayomy

Abstract

Proteolysis-targeting chimeras (PROTACs) offer a novel therapeutic strategy for degrading disease-causing proteins, but designing effective degraders remains challenging. PROTACs function by inducing a ternary complex between the target protein and an E3 ligase, requiring structural insights for rat...

Subject

Ataxia-telangiectasia

Ternary operation

Kinase

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