Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2)

Zhong, M; Lynch, A.; Muellers, S.; Jehle, S.; Luo, L.; Hall, D.; Iwase, R.; Carolan, J.; Egbert, M.; Wakefield, A.; Streu, K.; Harvey, C.; Ortet, P.; Kozakov, D.; Vajda, S.; Allen, K.; Whitty, A.

doi:10.1021/acs.biochem.9b00943

Title: Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2)

Journal Article · 01 January 2022 · Biochemistry

DOI:https://doi.org/10.1021/acs.biochem.9b00943· OSTI ID:1808968

Zhong, M; Lynch, A.; Muellers, S.; Jehle, S.; Luo, L.; Hall, D.; Iwase, R.; Carolan, J.; Egbert, M.; Wakefield, A.; Streu, K.; Harvey, C.; Ortet, P.; Kozakov, D.; Vajda, S.; Allen, K.; Whitty, A.

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Research Organization:: Brookhaven National Lab. (BNL), Upton, NY (United States)

Sponsoring Organization:: ~OTHER

DOE Contract Number:: SC0012704

OSTI ID:: 1808968

Report Number(s):: BNL-221863-2021-JACI

Journal Information:: Biochemistry, Vol. 59, Issue 4

Country of Publication:: United States

Language:: English

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KEAP1 E3 Ligase-Mediated Downregulation of NF-κB Signaling by Targeting IKKβ Lee, Dung-Fang; Kuo, Hsu-Ping; Liu, Mo Molecular Cell, Vol. 36, Issue 1 https://doi.org/10.1016/j.molcel.2009.07.025	journal	October 2009
The selective autophagy substrate p62 activates the stress responsive transcription factor Nrf2 through inactivation of Keap1 Komatsu, Masaaki; Kurokawa, Hirofumi; Waguri, Satoshi Nature Cell Biology, Vol. 12, Issue 3 https://doi.org/10.1038/ncb2021	journal	February 2010
Exploring the structural origins of cryptic sites on proteins Beglov, Dmitri; Hall, David R.; Wakefield, Amanda E. Proceedings of the National Academy of Sciences, Vol. 115, Issue 15 https://doi.org/10.1073/pnas.1711490115	journal	March 2018
Detection of secondary binding sites in proteins using fragment screening Ludlow, R. Frederick; Verdonk, Marcel L.; Saini, Harpreet K. Proceedings of the National Academy of Sciences, Vol. 112, Issue 52 https://doi.org/10.1073/pnas.1518946112	journal	December 2015
ANCHOR: a web server and database for analysis of protein-protein interaction binding pockets for drug discovery Meireles, L. M. C.; Domling, A. S.; Camacho, C. J. Nucleic Acids Research, Vol. 38, Issue Web Server https://doi.org/10.1093/nar/gkq502	journal	June 2010
Superstar: improved knowledge-based interaction fields for protein binding sites11Edited by R. Huber Verdonk, Marcel L.; Cole, Jason C.; Watson, Paul Journal of Molecular Biology, Vol. 307, Issue 3 https://doi.org/10.1006/jmbi.2001.4452	journal	March 2001

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