Interactions between proteins frequently employ recognition sequences that engage in multivalent binding events. Dimeric 14-3-3 adapter proteins represent a prominent example, typically binding partner proteins in a phosphorylation-dependent mono- or bivalent manner. Here we describe the development of a cucurbit[8]uril (Q8)-based supramolecular system, which in conjunction with the 14-3-3 protein dimer acts as a binary and bivalent protein assembly platform. We fused the phenylalanine-glycine-glycine (FGG) tripeptide motif to the N-terminus of the 14-3-3-binding epitope of the estrogen receptor ? (ER?), for selective binding to Q8. Q8-induced dimerization of the ER? epitope augmented its affinity towards 14-3-3 via a binary bivalent binding mode. The crystal structure of the Q8-induced ternary complex, a first of its kind, reveals molecular insights into the multiple supramolecular interactions between the protein, peptide and Q8.
Rotaxane-mediated suppression and activation of cucurbit[6]uril for molecular detection by (129)Xe hyperCEST NMR
From The DNP-NMR Blog:
Rotaxane-mediated suppression and activation of cucurbituril for molecular detection by (129)Xe hyperCEST NMR
Finbloom, J.A., et al., Rotaxane-mediated suppression and activation of cucurbituril for molecular detection by (129)Xe hyperCEST NMR. Chem Commun (Camb), 2016. 52(15): p. 3119-22.
http://www.ncbi.nlm.nih.gov/pubmed/26795714
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[NMR paper] NMR-based platform for fragment-based lead discovery used in screening BRD4-targeted compounds.
NMR-based platform for fragment-based lead discovery used in screening BRD4-targeted compounds.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.nature.com-images-lo_npg.gif Related Articles NMR-based platform for fragment-based lead discovery used in screening BRD4-targeted compounds.
Acta Pharmacol Sin. 2016 May 30;
Authors: Yu JL, Chen TT, Zhou C, Lian FL, Tang XL, Wen Y, Shen JK, Xu YC, Xiong B, Zhang NX
Abstract
AIM: Fragment-based lead discovery (FBLD) is a complementary approach in drug...
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05-31-2016 09:07 PM
Senior Research Fellow/Platform Manager (Fragment Based Drug Design) - The Conversation AU
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Senior Research Fellow/Platform Manager (Fragment Based Drug Design)
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You will also provide specialised expertise in biophysical characterisation of protein-ligand interactions using Nuclear Magnetic Resonance Spectroscopy (NMR), Surface Plasmon Resonance (SPR) and other techniques as necessary. The FBDD Platform ...
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07-02-2015 05:49 PM
Cucurbit[6]uril is an ultrasensitive (129)Xe NMR contrast agent
From The DNP-NMR Blog:
Cucurbituril is an ultrasensitive (129)Xe NMR contrast agent
Wang, Y. and I.J. Dmochowski, Cucurbituril is an ultrasensitive (129)Xe NMR contrast agent. Chem Commun (Camb), 2015. 51(43): p. 8982-5.
http://www.ncbi.nlm.nih.gov/pubmed/25929681
[NMR paper] Resolution and measurement of heteronuclear dipolar couplings of a noncrystalline protein immobilized in a biological supramolecular assembly by proton-detected MAS solid-state NMR spectroscopy
Resolution and measurement of heteronuclear dipolar couplings of a noncrystalline protein immobilized in a biological supramolecular assembly by proton-detected MAS solid-state NMR spectroscopy
Publication date: Available online 26 October 2013
Source:Journal of Magnetic Resonance</br>
Author(s): Sang Ho Park , Chen Yang , Stanley J. Opella , Leonard J. Mueller</br>
Two-dimensional 15N chemical shift/1H chemical shift and three-dimensional 1H-15N dipolar coupling/15N chemical shift/1H chemical shift MAS solid-state NMR correlation spectra of the filamentous...
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10-27-2013 12:53 AM
[NMR paper] Solid-State NMR-Based Approaches for Supramolecular Structure Elucidation.
Solid-State NMR-Based Approaches for Supramolecular Structure Elucidation.
Related Articles Solid-State NMR-Based Approaches for Supramolecular Structure Elucidation.
Acc Chem Res. 2013 Apr 15;
Authors: Weingarth M, Baldus M
Abstract
Supramolecular chemistry provides structural and conformational information about complexes formed from multiple molecules. While the molecule is held together by strong intramolecular contacts like covalent bonds, supramolecular structures can be further stabilized by weaker or transient intermolecular...
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04-17-2013 08:15 PM
[NMR paper] Monitoring Binding of HIV-1 Capsid Assembly Inhibitors Using (19) F Ligand-and (15) N Protein-Based NMR and X-ray Crystallography: Early Hit Validation of a Benzodiazepine Series.
Monitoring Binding of HIV-1 Capsid Assembly Inhibitors Using (19) F Ligand-and (15) N Protein-Based NMR and X-ray Crystallography: Early Hit Validation of a Benzodiazepine Series.
Related Articles Monitoring Binding of HIV-1 Capsid Assembly Inhibitors Using (19) F Ligand-and (15) N Protein-Based NMR and X-ray Crystallography: Early Hit Validation of a Benzodiazepine Series.
ChemMedChem. 2013 Feb 10;
Authors: Goudreau N, Coulombe R, Faucher AM, Grand-Maître C, Lacoste JE, Lemke CT, Malenfant E, Bousquet Y, Fader L, Simoneau B, Mercier JF, Titolo S, Mason SW
...
![Cucurbit[8]uril and 14-3-3 based binary bivalent supramolecular-protein assembly platform and co-crystal structure](http://www.bionmr.com/forum/iconimages/journal-club-9/cucurbit%5B8%5Duril-14-3-3-based-binary-bivalent-supramolecular-protein-assembly-platform-co-crystal-structure_ltr.gif)
Cucurbit[8]uril and 14-3-3 based binary bivalent supramolecular-protein assembly platform and co-crystal structure
Linear Mode
