Exploring the Catalytic Mechanism of the RNA Cap Modification by nsp16-nsp10 Complex of SARS-CoV-2 through a QM/MM Approach

Role of Structural and Non-Structural Proteins and Therapeutic Targets of SARS-CoV-2 for COVID-19

(2021) Rohitash Yadav et al.   Cells

Mn2+ coordinates Cap-0-RNA to align substrates for efficient 2′-O-methyl transfer by SARS-CoV-2 nsp16

(2021) George Minasov et al.   Science Signaling

Substrate Specificity of SARS-CoV-2 Nsp10-Nsp16 Methyltransferase

(2021) Roberto Benoni et al.   Viruses-Basel

Genome Composition and Divergence of the Novel Coronavirus (2019-nCoV) Originating in China

(2020) Aiping Wu et al.   Cell Host & Microbe

Exploring Chloride Selectivity and Halogenase Regioselectivity of the SalL Enzyme through Quantum Mechanical/Molecular Mechanical Modeling

(2020) Paulo R. M. Pereira et al.   Journal of Chemical Information and Modeling

A pneumonia outbreak associated with a new coronavirus of probable bat origin

(2020) Peng Zhou et al.   NATURE

A Structural View of SARS-CoV-2 RNA Replication Machinery: RNA Synthesis, Proofreading and Final Capping

(2020) Maria Romano et al.   Cells

Structural basis of RNA cap modification by SARS-CoV-2

(2020) Thiruselvam Viswanathan et al.   Nature Communications

Structural analysis of the SARS-CoV-2 methyltransferase complex involved in RNA cap creation bound to sinefungin

(2020) Petra Krafcikova et al.   Nature Communications

High-resolution structures of the SARS-CoV-2 2′-O-methyltransferase reveal strategies for structure-based inhibitor design

(2020) Monica Rosas-Lemus et al.   Science Signaling

Computational Investigation of Structural Dynamics of SARS-CoV-2 Methyltransferase-Stimulatory Factor Heterodimer nsp16/nsp10 Bound to the Cofactor SAM

(2020) Md Fulbabu Sk et al.   Frontiers in Molecular Biosciences

Insights on the Origin of Catalysis on Glycine N-Methyltransferase from Computational Modeling

(2018) Katarzyna Świderek et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Understanding Complex Mechanisms of Enzyme Reactivity: The Case of Limonene-1,2-Epoxide Hydrolases

(2018) Silvia Rinaldi et al.   ACS Catalysis

Catalysis by solvation rather than the desolvation effect: exploring the catalytic efficiency of SAM-dependent chlorinase

(2017) Edson Araújo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Binding of the Methyl Donor S -Adenosyl-l-Methionine to Middle East Respiratory Syndrome Coronavirus 2′- O -Methyltransferase nsp16 Promotes Recruitment of the Allosteric Activator nsp10

(2016) Wahiba Aouadi et al.   JOURNAL OF VIROLOGY

Molecular mechanisms of coronavirus RNA capping and methylation

(2016) Yu Chen et al.   VIROLOGICA SINICA

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

(2015) James A. Maier et al.   Journal of Chemical Theory and Computation

Methyltransferases do not work by compression, cratic, or desolvation effects, but by electrostatic preorganization

(2015) Jeronimo Lameira et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Innate immune restriction and antagonism of viral RNA lacking 2׳-O methylation

(2015) Jennifer L. Hyde et al.   VIROLOGY

Attenuation and Restoration of Severe Acute Respiratory Syndrome Coronavirus Mutant Lacking 2'-O-Methyltransferase Activity

(2014) V. D. Menachery et al.   JOURNAL OF VIROLOGY

QM/MM Molecular Dynamics Study of the Galactopyranose → Galactofuranose Reaction Catalysed by Trypanosoma cruzi UDP-Galactopyranose Mutase

(2014) Gustavo Pierdominici-Sottile et al.   PLoS One

Correction: In Vitro Reconstitution of SARS-Coronavirus mRNA Cap Methylation

(2014) Mickaël Bouvet et al.   PLoS Pathogens

Specificity in Transition State Binding: The Pauling Model Revisited

(2013) Tina L. Amyes et al.   BIOCHEMISTRY

Improved Treatment of Ligands and Coupling Effects in Empirical Calculation and Rationalization of pKaValues

(2011) Chresten R. Søndergaard et al.   Journal of Chemical Theory and Computation

Enzyme Molecular Mechanism as a Starting Point to Design New Inhibitors: A Theoretical Study ofO-GlcNAcase

(2011) Jerônimo Lameira et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Multiscale modeling of biological functions

(2011) Shina Caroline Lynn Kamerlin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Biochemical and Structural Insights into the Mechanisms of SARS Coronavirus RNA Ribose 2′-O-Methylation by nsp16/nsp10 Protein Complex

(2011) Yu Chen et al.   PLoS Pathogens

Crystal Structure and Functional Analysis of the SARS-Coronavirus RNA Cap 2′-O-Methyltransferase nsp10/nsp16 Complex

(2011) Etienne Decroly et al.   PLoS Pathogens

Proton Transfer Facilitated by Ligand Binding. An Energetic Analysis of the Catalytic Mechanism ofTrypanosoma cruziTrans-Sialidase

(2010) Gustavo Pierdominici-Sottile et al.   BIOCHEMISTRY

Structural Survey of Zinc-Containing Proteins and Development of the Zinc AMBER Force Field (ZAFF)

(2010) Martin B. Peters et al.   Journal of Chemical Theory and Computation

Enzymes that catalyse SN2 reaction mechanisms

(2010) David O'Hagan et al.   NATURAL PRODUCT REPORTS

Protein methyltransferases as a target class for drug discovery

(2009) Robert A. Copeland et al.   NATURE REVIEWS DRUG DISCOVERY

Recognition of viral nucleic acids in innate immunity

(2009) Mitsutoshi Yoneyama et al.   REVIEWS IN MEDICAL VIROLOGY

A scintillation proximity assay for dengue virus NS5 2′-O-methyltransferase—kinetic and inhibition analyses

(2008) S LIM et al.   ANTIVIRAL RESEARCH

Coronavirus Nonstructural Protein 16 Is a Cap-0 Binding Enzyme Possessing (Nucleoside-2'O)-Methyltransferase Activity

(2008) E. Decroly et al.   JOURNAL OF VIROLOGY