Structural highlights
Function
[M3K14_HUMAN] Lymphotoxin beta-activated kinase which seems to be exclusively involved in the activation of NF-kappa-B and its transcriptional activity. Promotes proteolytic processing of NFKB2/P100, which leads to activation of NF-kappa-B via the non-canonical pathway. Could act in a receptor-selective manner.[1]
Publication Abstract from PubMed
Relative free energy perturbation (FEP) methods have become increasingly popular within the pharmaceutical industry; however, despite time constraints within drug discovery cycles, caution should be applied in the deployment of such methods as protein preparation and system setup can greatly impact the accuracy of free energy predictions.
Impact of Protein Preparation on Resulting Accuracy of FEP Calculations.,Shih AY, Hack M, Mirzadegan T J Chem Inf Model. 2020 Aug 2. doi: 10.1021/acs.jcim.0c00445. PMID:32786514[2]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
See Also
References
- ↑ Liao G, Zhang M, Harhaj EW, Sun SC. Regulation of the NF-kappaB-inducing kinase by tumor necrosis factor receptor-associated factor 3-induced degradation. J Biol Chem. 2004 Jun 18;279(25):26243-50. Epub 2004 Apr 14. PMID:15084608 doi:10.1074/jbc.M403286200
- ↑ Shih AY, Hack M, Mirzadegan T. Impact of Protein Preparation on Resulting Accuracy of FEP Calculations. J Chem Inf Model. 2020 Aug 2. doi: 10.1021/acs.jcim.0c00445. PMID:32786514 doi:http://dx.doi.org/10.1021/acs.jcim.0c00445
