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2006 3
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2015 5
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Page 1
Fractionation factors reveal hidden frustration in an ancient allosteric module.
VanSchouwen B, Della Libera L, Melacini G. VanSchouwen B, et al. Among authors: melacini g. J Chem Phys. 2023 Mar 28;158(12):121101. doi: 10.1063/5.0139510. J Chem Phys. 2023. PMID: 37003757
To address this gap, we extend the comparative analysis of apo, cAMP- and cGMP-bound CNB-B to H/D fractionation factors (FFs), which are well-suited for assessing backbone hydrogen-bond strengths within proteins. Apo-vs-bound comparisons inform of perturbations arising fro …
To address this gap, we extend the comparative analysis of apo, cAMP- and cGMP-bound CNB-B to H/D fractionation factors (FFs), which …
QSAR models reveal new EPAC-selective allosteric modulators.
Mohamed H, Shao H, Akimoto M, Darveau P, MacKinnon MR, Magolan J, Melacini G. Mohamed H, et al. Among authors: melacini g. RSC Chem Biol. 2022 Aug 3;3(10):1230-1239. doi: 10.1039/d2cb00106c. eCollection 2022 Oct 5. RSC Chem Biol. 2022. PMID: 36320893 Free PMC article.
Exchange proteins directly activated by cAMP (EPAC) are guanine nucleotide exchange factors for the small GTPases, Rap1 and Rap2. ...
Exchange proteins directly activated by cAMP (EPAC) are guanine nucleotide exchange factors for the small GTPases, Rap1 and Rap2. ...
Identification of core allosteric sites through temperature- and nucleus-invariant chemical shift covariance.
Mohamed H, Baryar U, Bashiri A, Selvaratnam R, VanSchouwen B, Melacini G. Mohamed H, et al. Among authors: melacini g. Biophys J. 2022 Jun 7;121(11):2035-2045. doi: 10.1016/j.bpj.2022.05.004. Epub 2022 May 10. Biophys J. 2022. PMID: 35538664 Free PMC article.
T- and CLASS-CHESCAs, as well as complete-linkage CHESCA, were applied to the cAMP-binding domain of the exchange protein directly activated by cAMP (EPAC), which serves as a prototypical allosteric switch. ...
T- and CLASS-CHESCAs, as well as complete-linkage CHESCA, were applied to the cAMP-binding domain of the exchange protein directly ac …
Non-Canonical Allostery in Cyclic Nucleotide Dependent Kinases.
Khamina M, Martinez Pomier K, Akimoto M, VanSchouwen B, Melacini G. Khamina M, et al. Among authors: melacini g. J Mol Biol. 2022 Sep 15;434(17):167584. doi: 10.1016/j.jmb.2022.167584. Epub 2022 Apr 12. J Mol Biol. 2022. PMID: 35427632 Review.
The cAMP- and cGMP-dependent protein kinases (PKA and PKG) are canonically activated by the corresponding cyclic nucleotides. ...
The cAMP- and cGMP-dependent protein kinases (PKA and PKG) are canonically activated by the corresponding cyclic nucleotides. ...
Allosteric pluripotency: challenges and opportunities.
Akimoto M, Martinez Pomier K, VanSchouwen B, Byun JA, Khamina M, Melacini G. Akimoto M, et al. Among authors: melacini g. Biochem J. 2022 Apr 14;479(7):825-838. doi: 10.1042/BCJ20210528. Biochem J. 2022. PMID: 35403669
State-selective frustration as a key driver of allosteric pluripotency.
Byun JA, VanSchouwen B, Parikh N, Akimoto M, McNicholl ET, Melacini G. Byun JA, et al. Among authors: melacini g. Chem Sci. 2021 Jul 13;12(34):11565-11575. doi: 10.1039/d1sc01753e. eCollection 2021 Sep 1. Chem Sci. 2021. PMID: 34667558 Free PMC article.
Allosteric pluripotency of PKA arises from divergent allosteric responses of two homologous tandem cAMP-binding domains, resulting in a free energy landscape for the Rp-cAMPS-bound PKA regulatory subunit R1a in which the ground state is kinase inhibition-incompetent and th …
Allosteric pluripotency of PKA arises from divergent allosteric responses of two homologous tandem cAMP-binding domains, resulting in …
Mutual Protein-Ligand Conformational Selection Drives cGMP vs. cAMP Selectivity in Protein Kinase G.
VanSchouwen B, Boulton S, Melacini G. VanSchouwen B, et al. Among authors: melacini g. J Mol Biol. 2021 Oct 15;433(21):167202. doi: 10.1016/j.jmb.2021.167202. Epub 2021 Aug 13. J Mol Biol. 2021. PMID: 34400180
Protein kinase G (PKG) is a major receptor of cGMP, and controls signaling pathways distinct from those regulated by cAMP. However, the contributions of the two substituents that differentiate cGMP from cAMP (i.e. 6-oxo and 2-NH(2)) to the cGMP-versus-cAMP se …
Protein kinase G (PKG) is a major receptor of cGMP, and controls signaling pathways distinct from those regulated by cAMP. However, t …
Backbone resonance assignment of the cAMP-binding domains of the protein kinase A regulatory subunit Ialpha.
McNicholl ET, Das R, SilDas S, Byun JA, Akimoto M, Jafari N, Melacini G. McNicholl ET, et al. Among authors: melacini g. Biomol NMR Assign. 2021 Oct;15(2):379-382. doi: 10.1007/s12104-021-10033-8. Epub 2021 Jun 12. Biomol NMR Assign. 2021. PMID: 34118011
Protein kinase A (PKA) is the main receptor for the universal cAMP second messenger. PKA is a tetramer with two catalytic (C) and two regulatory (R) subunits, each including two tandem cAMP-binding domains, i.e. CBD-A and -B. Activation of the complex occurs with …
Protein kinase A (PKA) is the main receptor for the universal cAMP second messenger. PKA is a tetramer with two catalytic (C) and two …
Noncanonical protein kinase A activation by oligomerization of regulatory subunits as revealed by inherited Carney complex mutations.
Jafari N, Del Rio J, Akimoto M, Byun JA, Boulton S, Moleschi K, Alsayyed Y, Swanson P, Huang J, Martinez Pomier K, Lee C, Wu J, Taylor SS, Melacini G. Jafari N, et al. Among authors: melacini g. Proc Natl Acad Sci U S A. 2021 May 25;118(21):e2024716118. doi: 10.1073/pnas.2024716118. Proc Natl Acad Sci U S A. 2021. PMID: 34006641 Free PMC article.
CNC mutations are known to cause overactivation of PKA, but the molecular mechanisms underlying such kinase overactivity are not fully understood in the context of the canonical cAMP-dependent activation of PKA. Here, we show that oligomerization-induced sequestration of R …
CNC mutations are known to cause overactivation of PKA, but the molecular mechanisms underlying such kinase overactivity are not fully under …
Allosteric inhibition explained through conformational ensembles sampling distinct "mixed" states.
Byun JA, VanSchouwen B, Akimoto M, Melacini G. Byun JA, et al. Among authors: melacini g. Comput Struct Biotechnol J. 2020 Nov 11;18:3803-3818. doi: 10.1016/j.csbj.2020.10.026. eCollection 2020. Comput Struct Biotechnol J. 2020. PMID: 33335680 Free PMC article. Review.
Here, we summarize and critically discuss recent advances on the mechanisms of allosteric partial agonists for three representative signalling enzymes activated by cyclic nucleotides: the cAMP-dependent protein kinase (PKA), the cGMP-dependent protein kinase (PKG), and the …
Here, we summarize and critically discuss recent advances on the mechanisms of allosteric partial agonists for three representative signalli …
47 results