Papain-like protease (PLpro) from severe acute respiratory syndrome Coronavirus 2 (SARS-CoV-2) is a prime target for the development of antivirals for Coronavirus disease 2019 (COVID-19). However, drugs that target the PLpro protein have not yet been approved. In order to gain insights into the development of a PLpro inhibitor, conformational dynamics of PLpro in complex with GRL0617, the most well-characterized PLpro inhibitor, were investigated using nuclear magnetic resonance (NMR)...
Characterization of conformational heterogeneity via higher-dimensionality, proton-detected solid-state NMR
Characterization of conformational heterogeneity via higher-dimensionality, proton-detected solid-state NMR
Abstract
Site-specific heterogeneity of solid protein samples can be exploited as valuable information to answer biological questions ranging from thermodynamic properties determining fibril formation to protein folding and conformational stability upon stress. In particular, for proteins of increasing molecular weight, however, site-resolved assessment without residue-specific labeling is challenging using established methodology, which tends...
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09-26-2022 02:08 AM
[NMR paper] Characterization of conformational heterogeneity via higher-dimensionality, proton-detected solid-state NMR
Characterization of conformational heterogeneity via higher-dimensionality, proton-detected solid-state NMR
Site-specific heterogeneity of solid protein samples can be exploited as valuable information to answer biological questions ranging from thermodynamic properties determining fibril formation to protein folding and conformational stability upon stress. In particular, for proteins of increasing molecular weight, however, site-resolved assessment without residue-specific labeling is challenging using established methodology, which tends to rely on carbon-detected 2D correlations. Here...
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09-26-2022 02:08 AM
[NMR paper] A combination of solid-state NMR and MD simulations reveals the binding mode of a rhomboid protease inhibitor
A combination of solid-state NMR and MD simulations reveals the binding mode of a rhomboid protease inhibitor
Intramembrane proteolysis plays a fundamental role in many biological and pathological processes. Intramembrane proteases thus represent promising pharmacological targets, but few selective inhibitors have been identified. This is in contrast to their soluble counterparts, which are inhibited by many common drugs, and is in part explained by the inherent difficulty to characterize the binding of drug-like molecules to membrane proteins at atomic resolution. Here, we investigated...
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10-27-2021 10:50 PM
[ASAP] Identification of a Potential Inhibitor of the FIV p24 Capsid Protein and Characterization of Its Binding Site
Identification of a Potential Inhibitor of the FIV p24 Capsid Protein and Characterization of Its Binding Site
https://pubs.acs.org/na101/home/literatum/publisher/achs/journals/content/bichaw/0/bichaw.ahead-of-print/acs.biochem.1c00228/20210605/images/medium/bi1c00228_0010.gif
Biochemistry
DOI: 10.1021/acs.biochem.1c00228
http://feeds.feedburner.com/~r/acs/bichaw/~4/eGtIJIGPH4I
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06-06-2021 04:36 AM
[NMR paper] NMR structure of CmPI-II, a non- classical Kazal protease inhibitor: Understanding its conformational dynamics and subtilisin A inhibition.
NMR structure of CmPI-II, a non- classical Kazal protease inhibitor: Understanding its conformational dynamics and subtilisin A inhibition.
Related Articles NMR structure of CmPI-II, a non- classical Kazal protease inhibitor: Understanding its conformational dynamics and subtilisin A inhibition.
J Struct Biol. 2019 Mar 28;:
Authors: Cabrera-Muņoz A, Valiente PA, Rojas L, Del Rivero Antigua MA, Pires JR
Abstract
Subtilisin-like proteases play crucial roles in host-pathogen interactions. Thus, protease inhibitors constitute...
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04-02-2019 02:58 PM
[NMR paper] Information content of long-range NMR data for the characterization of conformational heterogeneity.
Information content of long-range NMR data for the characterization of conformational heterogeneity.
Related Articles Information content of long-range NMR data for the characterization of conformational heterogeneity.
J Biomol NMR. 2015 Jun 5;
Authors: Andra?oj? W, Berlin K, Fushman D, Luchinat C, Parigi G, Ravera E, Sgheri L
Abstract
Long-range NMR data, namely residual dipolar couplings (RDCs) from external alignment and paramagnetic data, are becoming increasingly popular for the characterization of conformational...
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06-06-2015 12:01 PM
Information content of long-range NMR data for the characterization of conformational heterogeneity
Information content of long-range NMR data for the characterization of conformational heterogeneity
Abstract
Long-range NMR data, namely residual dipolar couplings (RDCs) from external alignment and paramagnetic data, are becoming increasingly popular for the characterization of conformational heterogeneity of multidomain biomacromolecules and protein complexes. The question addressed here is how much information is contained in these averaged data. We have analyzed and compared the information content of conformationally averaged RDCs caused by...
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06-05-2015 01:10 AM
[NMR paper] Probing the cation binding modes of macrocyclic HCV protease inhibitor BILN 2061 by multinuclear NMR.
Probing the cation binding modes of macrocyclic HCV protease inhibitor BILN 2061 by multinuclear NMR.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Probing the cation binding modes of macrocyclic HCV protease inhibitor BILN 2061 by multinuclear NMR.
J Pharm Biomed Anal. 2012 Nov;70:609-13
Authors: Busacca CA, Jones PJ, Campbell SJ, Saha AK, Gonnella NC, Senanayake CH
Abstract
The ability of the macrocyclic HCV protease inhibitor BILN 2061 to bind different...
NMR Characterization of the Papain-like Protease from SARS-CoV-2 Identifies the Conformational Heterogeneity in Its Inhibitor-Binding Site
Linear Mode
