A. Mesecar

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Structural and mutational studies of organophosphorus hydrolase reveal a cryptic and functional allosteric-binding site.

J. Grimsley, J. Wild, Barbara Calamini, 2005, Archives of biochemistry and biophysics.

Structural basis for thermostability revealed through the identification and characterization of a highly thermostable phosphotriesterase-like lactonase from Geobacillus stearothermophilus.

A. Mesecar, R. Hawwa, J. Aikens, 2009, Archives of biochemistry and biophysics.

Phosphorylation of Serine 256 Suppresses Transactivation by FKHR (FOXO1) by Multiple Mechanisms

Stephen Adam, Haiyun Pan, A. Mesecar, 2002, The Journal of Biological Chemistry.

The SARS-coronavirus papain-like protease: Structure, function and inhibition by designed antiviral compounds

A. Mesecar, Y. M. Báez-Santos, Sarah E. St. John, 2014, Antiviral Research.

Structural basis for tumor pyruvate kinase M2 allosteric regulation and catalysis.

A. Mesecar, B. Santarsiero, J. D. Dombrauckas, 2005, Biochemistry.

The allosteric regulation of pyruvate kinase by fructose-1,6-bisphosphate.

B. Stoddard, A. Mesecar, P. Heath, 1998, Structure.

Orbital steering in the catalytic power of enzymes: small structural changes with large catalytic consequences.

D E Koshland, D. Koshland, B. Stoddard, 1997, Science.

Structural Basis for the Ubiquitin-Linkage Specificity and deISGylating Activity of SARS-CoV Papain-Like Protease

Kiira Ratia, A. Mesecar, Andy Kilianski, 2014, PLoS pathogens.

Severe acute respiratory syndrome coronavirus papain-like protease: structure of a viral deubiquitinating enzyme.

Raymond C Stevens, Kiira Ratia, Kumar Singh Saikatendu, 2006, Proceedings of the National Academy of Sciences of the United States of America.

A noncovalent class of papain-like protease/deubiquitinase inhibitors blocks SARS virus replication

Wentao Fu, Katrina Sleeman, Arun K. Ghosh, 2008, Proceedings of the National Academy of Sciences.

Drug Development and Medicinal Chemistry Efforts toward SARS‐Coronavirus and Covid‐19 Therapeutics

Arun K. Ghosh, A. Mesecar, M. Brindisi, 2020, ChemMedChem.

Decoupling deISGylating and deubiquitinating activities of the MERS virus papain-like protease

Karthik Srinivasan, Renata K. Everett, A. Mesecar, 2019, Antiviral Research.

Use of molecular modeling, docking, and 3D-QSAR studies for the determination of the binding mode of benzofuran-3-yl-(indol-3-yl)maleimides as GSK-3β inhibitors

A. Mesecar, A. Kozikowski, I. Gaisina, 2009, Journal of molecular modeling.

Nidovirus papain-like proteases: Multifunctional enzymes with protease, deubiquitinating and deISGylating activities

A. Mesecar, S. Baker, A. Mielech, 2014, Virus Research.

Preclinical characterization of an intravenous coronavirus 3CL protease inhibitor for the potential treatment of COVID19

Malina A. Bakowski, Chunlong Ma, Jun Wang, 2021, Nature Communications.

Discovery of a Novel Inhibitor of Coronavirus 3CL Protease as a Clinical Candidate for the Potential Treatment of COVID-19

Malina A. Bakowski, R. Obach, Chunlong Ma, 2020, bioRxiv.

Progress in Anti-SARS Coronavirus Chemistry, Biology and Chemotherapy

Arun K. Ghosh, Michael E. Johnson, A. Mesecar, 2006, Annual Reports in Medicinal Chemistry.

Murine Coronavirus Ubiquitin-Like Domain Is Important for Papain-Like Protease Stability and Viral Pathogenesis

S. Perlman, D. L. Wheeler, A. Mesecar, 2015, Journal of Virology.

A Chimeric Virus-Mouse Model System for Evaluating the Function and Inhibition of Papain-Like Proteases of Emerging Coronaviruses

R. Baric, D. Lenschow, A. Mesecar, 2014, Journal of Virology.

Coronaviruses Resistant to a 3C-Like Protease Inhibitor Are Attenuated for Replication and Pathogenesis, Revealing a Low Genetic Barrier but High Fitness Cost of Resistance

Arun K. Ghosh, A. Mesecar, S. Baker, 2014, Journal of Virology.

Catalytic Function and Substrate Specificity of the PLpro Domain of nsp 3 from 1 the Middle East Respiratory Syndrome Coronavirus ( MERS-CoV ) 2 3

A. Mesecar, Y. M. Báez-Santos, S. Baker, 2014 .

Catalytic Function and Substrate Specificity of the Papain-Like Protease Domain of nsp3 from the Middle East Respiratory Syndrome Coronavirus

A. Mesecar, Y. M. Báez-Santos, S. Baker, 2014, Journal of Virology.

The Papain-Like Protease of Severe Acute Respiratory Syndrome Coronavirus Has Deubiquitinating Activity

Zhongbin Chen, Kiira Ratia, A. Mesecar, 2005, Journal of Virology.

Report of the National Institutes of Health SARS-CoV-2 Antiviral Therapeutics Summit

Mindy I. Davis, D. Baker, D. Hazuda, 2021, The Journal of infectious diseases.

Identification of a Glycogen Synthase Kinase‐3β Inhibitor that Attenuates Hyperactivity in CLOCK Mutant Mice

C. McClung, A. Mesecar, A. Kozikowski, 2011, ChemMedChem.

Modifying specific cysteines of the electrophile-sensing human Keap1 protein is insufficient to disrupt binding to the Nrf2 domain Neh2.

John M Pezzuto, Guowen Liu, J. Pezzuto, 2005, Proceedings of the National Academy of Sciences of the United States of America.

Sites of alkylation of human Keap1 by natural chemoprevention agents

A. Mesecar, Yan Luo, A. Eggler, 2007, Journal of the American Society for Mass Spectrometry.

Activity-guided isolation of cytotoxic constituents from the bark of Aglaia crassinervia collected in Indonesia.

G. Cordell, A. Kinghorn, A. Mesecar, 2006, Bioorganic & medicinal chemistry.

Molecular mechanisms of natural products in chemoprevention: induction of cytoprotective enzymes by Nrf2.

A. Mesecar, A. Eggler, K. Gay, 2008, Molecular nutrition & food research.

The structures of T87I phosphono-CheY and T87I/Y106W phosphono-CheY help to explain their binding affinities to the FliM and CheZ peptides.

A. Mesecar, B. Santarsiero, C. J. Halkides, 2008, Archives of biochemistry and biophysics.

Addendum: A new model for protein stereospecificity

D. Koshland, A. Mesecar, 2000, Nature.

Coronavirus Papain-like Peptidases

A. Mesecar, K. Ratia, S. Baker, 2012, Handbook of Proteolytic Enzymes.

Evaluating the 3C-like protease activity of SARS-Coronavirus: Recommendations for standardized assays for drug discovery

A. Mesecar, K. Ratia, S. Baker, 2007, Virus Research.

Millisecond Laue structures of an enzyme–product complex using photocaged substrate analogs

D. Koshland, B. Stoddard, B. Cohen, 1998, Nature Structural Biology.

Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors.

Arun K. Ghosh, Michael E. Johnson, A. Mesecar, 2005, Journal of medicinal chemistry.

Cul3-mediated Nrf2 ubiquitination and antioxidant response element (ARE) activation are dependent on the partial molar volume at position 151 of Keap1.

A. Mesecar, M. Hannink, A. Eggler, 2009, The Biochemical journal.

Cul 3-mediated Nrf 2 ubiquitination and antioxidant response element ( ARE ) activation are dependent on the partial molar volume at position 151 of Keap 1

A. Mesecar, M. Hannink, A. Eggler, 2009 .

Title : Broad-spectrum inhibition of coronavirus main and papain-like 1 proteases by HCV drugs

A. Mesecar, Karla J. F. Satchell, Mackenzie E. Chapman, 2020 .

X‐ray structural studies of quinone reductase 2 nanomolar range inhibitors

G. Ferry, J. Boutin, A. Mesecar, 2011, Protein science : a publication of the Protein Society.

Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2.

J. Boutin, Barbara Calamini, A. Mesecar, 2008, The Biochemical journal.

Development of an efficient E. coli expression and purification system for a catalytically active, human Cullin3-RINGBox1 protein complex and elucidation of its quaternary structure with Keap1.

A. Mesecar, A. Eggler, E. Small, 2010, Biochemical and biophysical research communications.

Structure-Guided Mutagenesis Alters Deubiquitinating Activity and Attenuates Pathogenesis of a Murine Coronavirus

A. Mesecar, S. Baker, Mackenzie E. Chapman, 2019, Journal of Virology.

Probing the structural requirements of non-electrophilic naphthalene-based Nrf2 activators.

Laura J. Kingsley, A. Mesecar, J. Luciano, 2015, European journal of medicinal chemistry.

Role of lysine 240 in the mechanism of yeast pyruvate kinase catalysis.

A. Mesecar, T. Nowak, T. Bollenbach, 1999, Biochemistry.

Natural product leads for drug discovery: isolation, synthesis and biological evaluation of 6-cyano-5-methoxyindolo[2,3-a]carbazole based ligands as antibacterial agents.

A. Mesecar, A. Kozikowski, S. Franzblau, 2009, Bioorganic & medicinal chemistry.

Severe acute respiratory syndrome coronavirus papain-like novel protease inhibitors: design, synthesis, protein-ligand X-ray structure and biological evaluation.

Debbie C. Mulhearn, Arun K. Ghosh, Michael E. Johnson, 2010, Journal of medicinal chemistry.

Metal-ion-mediated allosteric triggering of yeast pyruvate kinase. 1. A multidimensional kinetic linked-function analysis.

A. Mesecar, T. Nowak, Thomas Nowak, 1997, Biochemistry.

Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4—The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS)

A. Mesecar, Sarah E. St. John, S. Stauffer, 2015, Bioorganic & Medicinal Chemistry.

MERS-CoV papain-like protease has deISGylating and deubiquitinating activities

A. Mesecar, Andy Kilianski, Y. M. Báez-Santos, 2013, Virology.

Chimeric Exchange of Coronavirus nsp5 Proteases (3CLpro) Identifies Common and Divergent Regulatory Determinants of Protease Activity

A. Mesecar, Xiaotao Lu, M. Denison, 2013, Journal of Virology.

Severe Acute Respiratory Syndrome Coronavirus Papain-Like Protease Ubiquitin-Like Domain and Catalytic Domain Regulate Antagonism of IRF3 and NF- (cid:2) B Signaling (cid:1) †

R. Johnston, R. Baric, A. Mesecar, 2009 .

Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors

Arun K. Ghosh, Xiaoming Xu, Michael E. Johnson, 2007, Bioorganic & Medicinal Chemistry Letters.

Prospective type 1 and type 2 disulfides of Keap1 protein.

A. Mesecar, D. Fabris, A. Eggler, 2008, Chemical research in toxicology.

Abstract A58: Cul3‐mediated Nrf2 ubiquitination and ARE activation are dependent on the partial molar volume at position 151 of Keap1

A. Mesecar, M. Hannink, A. Eggler, 2010 .

Screening for natural chemoprevention agents that modify human Keap1.

A. Mesecar, R. V. van Breemen, A. Eggler, 2012, Analytical biochemistry.

Modification of keap1 cysteine residues by sulforaphane.

A. Mesecar, R. V. van Breemen, A. Eggler, 2011, Chemical research in toxicology.

Potential cancer chemopreventive constituents of the seeds of Dipteryx odorata (tonka bean).

J. Pezzuto, A. Kinghorn, A. Mesecar, 2003, Journal of natural products.

Cholesterol Sulfonation Enzyme, SULT2B1b, Modulates AR and Cell Growth Properties in Prostate Cancer

K. Kerian, R. Cooks, Liang Cheng, 2016, Molecular Cancer Research.

X-Ray Structure and Inhibition of 3C-like Protease from Porcine Epidemic Diarrhea Virus

A. Mesecar, Sarah E. St. John, B. Anson, 2016, Scientific Reports.

Structure of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase in complex with the feedback inhibitor CoA reveals only one active-site conformation.

A. Mesecar, T. Wubben, 2011, Acta crystallographica. Section F, Structural biology and crystallization communications.

Deubiquitinating Activity of the SARS-CoV Papain-Like Protease

A. Mesecar, K. Ratia, S. Baker, 2006, Advances in experimental medicine and biology.

Xanthohumol isolated from Humulus lupulus Inhibits menadione-induced DNA damage through induction of quinone reductase.

A. Mesecar, J. Bolton, B. Dietz, 2005, Chemical research in toxicology.

Isolation and evaluation of kaempferol glycosides from the fern Neocheiropteris palmatopedata.

J. Pezzuto, A. Mesecar, R. V. van Breemen, 2010, Phytochemistry.

Equine catechol estrogen 4-hydroxyequilenin is a more potent inhibitor of the variant form of catechol-O-methyltransferase.

J. Yager, A. Mesecar, J. Bolton, 2004, Chemical research in toxicology.

Catechol estrogen 4-hydroxyequilenin is a substrate and an inhibitor of catechol-O-methyltransferase.

J. Yager, A. Mesecar, J. Bolton, 2003, Chemical research in toxicology.

Design, synthesis, and evaluation of oxyanion-hole selective inhibitor substituents for the S1 subsite of factor Xa.

Debbie C. Mulhearn, Michael E. Johnson, A. Mesecar, 2004, Bioorganic & medicinal chemistry letters.

Silvestrol and episilvestrol, potential anticancer rocaglate derivatives from Aglaia silvestris.

G. Cordell, J. Pezzuto, A. Kinghorn, 2004, The Journal of organic chemistry.

Conceptual design of a macromolecular neutron diffractometer (MaNDi) for the SNS

A. Mesecar, P. Langan, D. Myles, 2005 .

Identification of the highly reactive cysteine 151 in the chemopreventive agent-sensor Keap1 protein is method-dependent.

A. Mesecar, Yan Luo, R. V. van Breemen, 2007, Chemical research in toxicology.

Recent Drug Development and Medicinal Chemistry Approaches for the Treatment of SARS‐CoV‐2 and Covid‐19

Arun K. Ghosh, A. Mesecar, H. Mitsuya, 2022, ChemMedChem.

Design, synthesis, biological and structural evaluation of functionalized resveratrol analogues as inhibitors of quinone reductase 2.

M. Lipton, Barbara Calamini, A. Mesecar, 2013, Bioorganic & medicinal chemistry.

of Resistance Low Genetic Barrier but High Fitness Cost Replication and Pathogenesis , Revealing a Protease Inhibitor Are Attenuated for Coronaviruses Resistant to a 3 C-Like

Arun K. Ghosh, A. Mesecar, S. Baker, 2014 .

A Mouse Model for Betacoronavirus Subgroup 2c Using a Bat Coronavirus Strain HKU5 Variant

Lisa E. Gralinski, Vineet D. Menachery, Arun K. Ghosh, 2014, mBio.

Isolation and characterization of bioactive principles of the leaves and stems of Physalis philadelphica

J. Pezzuto, A. Kinghorn, A. Mesecar, 2002 .

Bruguiesulfurol, a new sulfur compound from Bruguiera gymnorrhiza.

J. Pezzuto, A. Mesecar, B. Santarsiero, 2006, Planta medica.

Structure-based design, synthesis, and biological evaluation of a series of novel and reversible inhibitors for the severe acute respiratory syndrome-coronavirus papain-like protease.

Katrina Sleeman, Debbie C. Mulhearn, Arun K. Ghosh, 2009, Journal of medicinal chemistry.

Discovery of N-(benzo[1,2,3]triazol-1-yl)-N-(benzyl)acetamido)phenyl) carboxamides as severe acute respiratory syndrome coronavirus (SARS-CoV) 3CLpro inhibitors: Identification of ML300 and noncovalent nanomolar inhibitors with an induced-fit binding

C. Lindsley, A. Mesecar, P. Hodder, 2013, Bioorganic & Medicinal Chemistry Letters.

Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities.

J. Pezzuto, A. Mesecar, M. Cushman, 2009, Journal of medicinal chemistry.

Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer.

J. Pezzuto, A. Mesecar, M. Cushman, 2010, Bioorganic & medicinal chemistry.

Design, synthesis, and biological evaluation of potent quinoline and pyrroloquinoline ammosamide analogues as inhibitors of quinone reductase 2.

A. Mesecar, P. Fanwick, M. Cushman, 2012, Journal of medicinal chemistry.

X-ray Structural and Biological Evaluation of a Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-like Proteases

Michael W. Wilson, A. Mesecar, Y. M. Báez-Santos, 2014, Journal of medicinal chemistry.

Potential chemopreventive agents based on the structure of the lead compound 2-bromo-1-hydroxyphenazine, isolated from Streptomyces species, strain CNS284.

J. Pezzuto, A. Mesecar, M. Conda-Sheridan, 2010, Journal of medicinal chemistry.

Lamiridosins, hepatitis C virus entry inhibitors from Lamium album.

A. Mesecar, Lijun Rong, H. Fong, 2009, Journal of natural products.

Antimycobacterial Naphthopyrones from Senna obliqua.

A. Mesecar, B. Santarsiero, J. Graham, 2004, Journal of natural products.

New manzamine alkaloids with activity against infectious and tropical parasitic diseases from an Indonesian sponge.

B. Tekwani, R. Schinazi, A. Mesecar, 2003, Journal of natural products.

Synthesis of 3-(3-aryl-pyrrolidin-1-yl)-5-aryl-1,2,4-triazines that have antibacterial activity and also inhibit inorganic pyrophosphatase.

A. Mesecar, S. Franzblau, M. Seleem, 2014, Bioorganic & medicinal chemistry.

New chemical constituents of Euphorbia quinquecostata and absolute configuration assignment by a convenient Mosher ester procedure carried out in NMR tubes.

J. Pezzuto, A. Kinghorn, A. Mesecar, 2002, Journal of natural products.

Design, synthesis and antiviral efficacy of a series of potent chloropyridyl ester-derived SARS-CoV 3CLpro inhibitors

Debbie C. Mulhearn, Arun K. Ghosh, Michael E. Johnson, 2008, Bioorganic & Medicinal Chemistry Letters.

Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis.

A. Mesecar, S. Franzblau, S. Pegan, 2013, Biochemistry.

Structural basis for catalysis of a tetrameric class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis.

A. Mesecar, S. Franzblau, Andrew D Mesecar, 2009, Journal of molecular biology.

Structural biology: A new model for protein stereospecificity

Daniel E. Koshland, D. Koshland, A. Mesecar, 2000, Nature.

Ne wManzamin eAlkaloid swit hActivit yagains tInfectiou san dTropical Parasiti cDisease sfro ma nIndonesia nSponge

B. Tekwani, R. Schinazi, A. Mesecar, 2003 .

Constituents of Musa x paradisiaca cultivar with the potential to induce the phase II enzyme, quinone reductase.

J. Pezzuto, A. Kinghorn, A. Mesecar, 2002, Journal of Agricultural and Food Chemistry.

Bioactive constituents of the seeds of Brucea javanica.

J. Pezzuto, A. Kinghorn, A. Mesecar, 2002, Planta medica.

Vitexlactam A, a novel labdane diterpene lactam from the fruits of Vitex agnus-castus

A. Mesecar, B. Santarsiero, Han-Dong Sun, 2002 .

New Sesquiterpenes from Litsea verticillata.

Nguyen Manh Cuong, Nguyen Van Hung, John M Pezzuto, 2003, Journal of natural products.

Isolation and absolute stereochemistry of coussaric acid, a new bioactive triterpenoid from the stems of Coussarea brevicaulis.

J. Pezzuto, A. Kinghorn, A. Mesecar, 2003, Phytochemistry.

Bioactive compounds from the fern Lepisorus contortus.

Rong Huang, Xi Qiu, Jian-Hong Yang, 2011, Journal of natural products.

Erratum: Silvestrol and episilvestrol, potential anticancer rocaglate derivatives from Aglaia silvestris (Journal of Organic Chemistry (2004) 69 (3350-3357))

G. Cordell, J. Pezzuto, A. Kinghorn, 2004 .

Silvestrol and episilvestrol, potential anticancer rocaglate derivatives from Aglaia silvestris.

G. Cordell, J. Pezzuto, A. Kinghorn, 2004, The Journal of organic chemistry.

The Spallation Neutron Source in Oak Ridge: A powerful tool for materials research

Kenneth W. Herwig, Ian S. Anderson, Takeshi Egami, 2006 .

New 3-O-acyl betulinic acids from Strychnos vanprukii Craib.

John M Pezzuto, G. Tan, J. Pezzuto, 2004, Journal of natural products.

Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.

Heng Zhang, A. Mesecar, Andrew D Mesecar, 2019, Cell host & microbe.

Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure–Activity Relationship, and X-ray Structural Studies

Arun K. Ghosh, H. Mitsuya, A. Mesecar, 2021, Journal of medicinal chemistry.

Structure-based design, synthesis and biological evaluation of novel β-secretase inhibitors containing a pyrazole or thiazole moiety as the P3 ligand.

Arun K. Ghosh, Xiaoming Xu, G. Koelsch, 2015, Bioorganic & medicinal chemistry letters.

Design and synthesis of 2-pyridones as novel inhibitors of the Bacillus anthracis enoyl-ACP reductase.

Debbie C. Mulhearn, Michael E. Johnson, A. Mesecar, 2008, Bioorganic & medicinal chemistry letters.

Deubiquitinating and Interferon Antagonism Activities of Coronavirus Papain-Like Proteases

Arun K. Ghosh, A. Mesecar, Kui Li, 2010, Journal of Virology.

Discovery of SARS-CoV-2 antiviral drugs through large-scale compound repurposing

S. Chanda, E. Ruppin, J. Chan, 2020, Nature.

Discovery of SARS-CoV-2 Antivirals through Large-scale Drug Repositioning

Eytan Ruppin, Andrew I Su, Ren Sun, 2020, Nature.

Determinants of allosteric activation of yeast pyruvate kinase and identification of novel effectors using computational screening.

C. J. Bond, B. Stoddard, A. Mesecar, 2000, Biochemistry.

Cholesterol Sulfotransferase SULT2B1b Modulates Sensitivity to Death Receptor Ligand TNFα in Castration-Resistant Prostate Cancer

R. Doerge, A. Mesecar, T. Ratliff, 2019, Molecular Cancer Research.

Bacillus anthracis o-succinylbenzoyl-CoA synthetase: reaction kinetics and a novel inhibitor mimicking its reaction intermediate.

A. Mesecar, D. Crich, F. Cai, 2008, Biochemistry.

Pleiotropic mechanisms facilitated by resveratrol and its metabolites.

J. Pezzuto, Barbara Calamini, A. Mesecar, 2010, The Biochemical journal.

Synthesis of novel МТ3 receptor ligands via an unusual Knoevenagel condensation.

A. Mesecar, N. S. Zefirov, M. V. Proskurnina, 2012, Bioorganic & medicinal chemistry letters.

Screening natural products for inhibitors of quinone reductase-2 using ultrafiltration LC-MS.

William Fenical, Guido F Pauli, Xi Qiu, 2011, Analytical chemistry.

Highly Selective and Potent Human β‐Secretase 2 (BACE2) Inhibitors against Type 2 Diabetes: Design, Synthesis, X‐ray Structure and Structure–Activity Relationship Studies

Arun K. Ghosh, A. Mesecar, M. Brindisi, 2019, ChemMedChem.

Kinetic and X-ray structural evidence for negative cooperativity in substrate binding to nicotinate mononucleotide adenylyltransferase (NMAT) from Bacillus anthracis.

A. Mesecar, B. Santarsiero, Valerie C. Sershon, 2009, Journal of molecular biology.

Computational modeling of the bat HKU4 coronavirus 3CLpro inhibitors as a tool for the development of antivirals against the emerging Middle East respiratory syndrome (MERS) coronavirus

Rua'a A. Al-Aqtash, M. Taha, A. Mesecar, 2017, Journal of molecular recognition : JMR.

Enzyme Architecture: The Effect of Replacement and Deletion Mutations of Loop 6 on Catalysis by Triosephosphate Isomerase

J. P. Loria, A. Mesecar, Yan Wang, 2014, Biochemistry.

Structure of COVID-19 main protease bound to potent broad-spectrum non-covalent inhibitor X77

A. Mesecar, S. StJohn, 2020 .

Structural Insights into the Interaction of Coronavirus Papain-Like Proteases and Interferon-Stimulated Gene Product 15 from Different Species

A. Mesecar, S. Pegan, Jozlyn R. Clasman, 2017, Journal of Molecular Biology.

Severe Acute Respiratory Syndrome Coronavirus Papain-Like Protease Ubiquitin-Like Domain and Catalytic Domain Regulate Antagonism of IRF3 and NF-κB Signaling

R. Johnston, R. Baric, A. Mesecar, 2009, Journal of Virology.

Discovery, synthesis, and structure-based optimization of a series of N-(tert-butyl)-2-(N-arylamido)-2-(pyridin-3-yl) acetamides (ML188) as potent noncovalent small molecule inhibitors of the severe acute respiratory syndrome coronavirus (SARS-CoV) 3CL protease.

C. Lindsley, A. Mesecar, P. Hodder, 2013, Journal of medicinal chemistry.

A small molecule compound with an indole moiety inhibits the main protease of SARS-CoV-2 and blocks virus replication

Arun K. Ghosh, A. Wlodawer, H. Mitsuya, 2021, Nature Communications.

Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans.

A. Mesecar, R. Hawwa, K. Ratia, 2009, Journal of molecular biology.

Genetic Variants of Phospholipase C-γ2 Confer Altered Microglial Phenotypes and Differential Risk for Alzheimer’s Disease

G. V. Di Prisco, K. Nho, T. Wyss-Coray, 2022, bioRxiv.

Proteolytic Processing and Deubiquitinating Activity of Papain-Like Proteases of Human Coronavirus NL63

A. Mesecar, K. Wilkinson, K. Ratia, 2007, Journal of Virology.

Regioselective covalent modification of hemoglobin in search of antisickling agents.

Debbie C. Mulhearn, Michael E. Johnson, A. Mesecar, 2003, Journal of medicinal chemistry.

Characterization of novel rad6/ubc2 ubiquitin-conjugating enzyme mutants in yeast

A. Mesecar, S. Liebman, Gail M. Freiberg, 2000, Current Genetics.

Characterization of human sulfotransferase 1A1 (SULT1A1) as a new target for structure-based design of drugs to treat cancer

R. Cooks, A. Mesecar, Nicolás M. Morato, 2022, Biophysical Journal.

Desorption Electrospray Ionization Mass Spectrometry Assay for Label‐Free Characterization of SULT2B1b Enzyme Kinetics

R. Cooks, A. Mesecar, Nicolás M. Morato, 2022, ChemMedChem.

Activity-guided isolation of novel norwithanolides from depreasubtriflora with potential cancer chemopreventive activity.

J. Pezzuto, A. Kinghorn, A. Mesecar, 2003, The Journal of organic chemistry.

A Structure-Based Discovery Platform for BACE2 and the Development of Selective BACE Inhibitors.

Arun K. Ghosh, A. Mesecar, Y. Yen, 2021, ACS chemical neuroscience.

X-ray Structural and Functional Studies of the Three Tandemly Linked Domains of Non-structural Protein 3 (nsp3) from Murine Hepatitis Virus Reveal Conserved Functions

A. Mesecar, S. Savinov, S. Baker, 2015, The Journal of Biological Chemistry.

MgATP Binding and Hydrolysis Determinants of NtrC, a Bacterial Enhancer-Binding Protein

T. Thorgeirsson, A. Mesecar, S. Kustu, 1999, Journal of bacteriology.

Enhancer-Binding Protein Determinants of NtrC , a Bacterial MgATP Binding and Hydrolysis

T. Thorgeirsson, A. Mesecar, S. Kustu, 1999 .

Genetic interaction between yeast Saccharomyces cerevisiae release factors and the decoding region of 18 S rRNA.

A. Mesecar, Y. Chernoff, S. Liebman, 2001, Journal of molecular biology.

Structural insight into the dual function of LbpB in mediating Neisserial pathogenesis

S. Govindan, A. Mesecar, S. Chakravarthy, 2021, bioRxiv.

Development and validation of a yeast high-throughput screen for inhibitors of Aβ42 oligomerization

A. Mesecar, L. Jungbauer, M. LaDu, 2011, Disease Models & Mechanisms.

Development and validation of a yeast high-throughput screen for inhibitors of A b 42 oligomerization

A. Mesecar, L. Jungbauer, M. LaDu, 2022 .

Isolation, structure elucidation, and absolute configuration of 26-deoxyactein from Cimicifuga racemosa and clarification of nomenclature associated with 27-deoxyactein.

A. Mesecar, B. Santarsiero, Shao-Nong Chen, 2002, Journal of natural products.

pH dependent inhibition from ammonium ions in the Pseudomonas mevalonii HMG-CoA Reductase crystallization environment

O. Wiest, A. Mesecar, P. Helquist, 2020, bioRxiv.

Design and Synthesis of Aryl Ether Inhibitors of the Bacillus Anthracis Enoyl‐ACP Reductase

Debbie C. Mulhearn, Michael E. Johnson, A. Mesecar, 2008, ChemMedChem.

Viral destruction of cell surface receptors

A. Mesecar, K. Ratia, 2008, Proceedings of the National Academy of Sciences.

An oxyanion-hole selective serine protease inhibitor in complex with trypsin.

Michael E. Johnson, A. Mesecar, Wentao Fu, 2002, Bioorganic & medicinal chemistry.

Resveratrol derivatives as promising chemopreventive agents with improved potency and selectivity.

J. Pezzuto, A. Mesecar, C. Grubbs, 2011, Molecular nutrition & food research.

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

G. Minasov, A. Mesecar, Karla J. F. Satchell, 2021, Science Signaling.

Kinetic, thermodynamic, and structural insight into the mechanism of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis.

A. Mesecar, T. Wubben, 2010, Journal of molecular biology.

Chloropyridinyl Esters of Nonsteroidal Anti-Inflammatory Agents and Related Derivatives as Potent SARS-CoV-2 3CL Protease Inhibitors

Arun K. Ghosh, H. Mitsuya, Devika Sirohi, 2021, Molecules.

Design, synthesis, and X-ray structural studies of BACE-1 inhibitors containing substituted 2-oxopiperazines as P1'-P2' ligands.

Arun K. Ghosh, N. Kumaragurubaran, A. Mesecar, 2017, Bioorganic & medicinal chemistry letters.

Kinetic and structural characterization of a heterohexamer 4-oxalocrotonate tautomerase from Chloroflexus aurantiacus J-10-fl: implications for functional and structural diversity in the tautomerase superfamily .

A. Mesecar, S. Pegan, C. P. Whitman, 2010, Biochemistry.

Ligand-induced Dimerization of Middle East Respiratory Syndrome (MERS) Coronavirus nsp5 Protease (3CLpro)

Arun K. Ghosh, A. Mesecar, Sarah E. St. John, 2015, The Journal of Biological Chemistry.

Ligand-induced Dimerization of Middle East Respiratory Syndrome (MERS) Coronavirus nsp5 Protease (3CL) IMPLICATIONS FOR nsp5 REGULATION AND THE DEVELOPMENT OF ANTIVIRALS*

Arun K. Ghosh, A. Mesecar, M. Denison, 2015 .

Broad-spectrum inhibition of coronavirus main and papain-like proteases by HCV drugs

R. D’Aquila, A. Mesecar, Karla J. F. Satchell, 2020 .

A novel fluorogenic reporter substrate for 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2 (PLCγ2): Application to high-throughput screening for activators to treat Alzheimer’s disease

A. Mesecar, Zhon-Yin Zhang, T. Utsuki, 2023, SLAS discovery : advancing life sciences R & D.

Development of an efficient enzyme production and structure-based discovery platform for BACE1 inhibitors.

Arun K. Ghosh, A. Mesecar, Y. Yen, 2019, Biochemistry.

Steady-state kinetic studies reveal that the anti-cancer target Ubiquitin-Specific Protease 17 (USP17) is a highly efficient deubiquitinating enzyme.

A. Mesecar, Nicole M Hjortland, 2016, Archives of biochemistry and biophysics.

A 2.2 Å resolution structure of the USP7 catalytic domain in a new space group elaborates upon structural rearrangements resulting from ubiquitin binding.

A. Mesecar, K. Molland, Qing Zhou, 2014, Acta crystallographica. Section F, Structural biology communications.

Structural and functional analysis of two glutamate racemase isozymes from Bacillus anthracis and implications for inhibitor design.

Debbie C. Mulhearn, Huidong Yu, Michael E. Johnson, 2007, Journal of molecular biology.

Miliusanes, a class of cytotoxic agents from Miliusa sinensis.

Manh Cuong Nguyen, John M Pezzuto, G. Tan, 2006, Journal of medicinal chemistry.

Metal-ion-mediated allosteric triggering of yeast pyruvate kinase. 2. A multidimensional thermodynamic linked-function analysis.

A. Mesecar, T. Nowak, T Nowak, 1997, Biochemistry.

X-ray Structure and Enzymatic Activity Profile of a Core Papain-like Protease of MERS Coronavirus with utility for structure-based drug design

A. Mesecar, Y. M. Báez-Santos, S. Baker, 2017, Scientific Reports.

A universal, fully automated high throughput screening assay for pyrophosphate and phosphate release from enzymatic reactions.

A. Mesecar, S. Pegan, Valerie C. Sershon, 2010, Combinatorial chemistry & high throughput screening.

Design, synthesis, X-ray studies, and biological evaluation of novel BACE1 inhibitors with bicyclic isoxazoline carboxamides as the P3 ligand.

Arun K. Ghosh, N. Kumaragurubaran, A. Mesecar, 2018, Bioorganic & medicinal chemistry letters.

Design of potent and highly selective inhibitors for human β-secretase 2 (memapsin 1), a target for type 2 diabetes

Arun K. Ghosh, A. Mesecar, E. L. Cárdenas, 2016, Chemical science.

Coronavirus Interferon Antagonists Differentially Modulate the Host Response during Replication in Macrophages

A. Mesecar, S. Baker, Xufang Deng, 2019, bioRxiv.

Targeting Enterococcus faecalis HMG-CoA reductase with a non-statin inhibitor

M. Lipton, A. Mesecar, M. Seleem, 2023, Communications Biology.

Genetic variants of phospholipase C-γ2 alter the phenotype and function of microglia and confer differential risk for Alzheimer's disease.

K. Nho, T. Wyss-Coray, J. Sondek, 2023, Immunity.

Deubiquitinating and Interferon Antagonism Activities of Coronavirus Papain-Like Proteases

Arun K. Ghosh, A. Mesecar, Kui Li, 2010, Journal of Virology.

Modification of keap1 cysteine residues by sulforaphane.

A. Mesecar, R. V. van Breemen, A. Eggler, 2011, Chemical research in toxicology.

An ELISA method to measure inhibition of the COX enzymes

A. Mesecar, M. Cuendet, D. Dewitt, 2006, Nature Protocols.

Screening method for the discovery of potential cancer chemoprevention agents based on mass spectrometric detection of alkylated Keap1.

J. Pezzuto, A. Mesecar, J. Bolton, 2005, Analytical chemistry.

Title: Discovery of a Novel Inhibitor of Coronavirus 3CL Protease for the Potential Treatment of COVID-19

Chunlong Ma, Jun Wang, A. Mesecar, 2021 .

SARS-CoV-2 papain-like protease (PLpro) inhibitory and antiviral activity of small molecule derivatives for drug leads.

A. Mesecar, S. Hattori, D. Shahabi, 2023, Bioorganic & medicinal chemistry letters.

Murine Coronavirus Ubiquitin-Like Domain Is Important for Papain-Like Protease Stability and Viral Pathogenesis

S. Perlman, D. L. Wheeler, A. Mesecar, 2015, Journal of Virology.

Kinetic and X-ray structural evidence for negative cooperativity in substrate binding to nicotinate mononucleotide adenylyltransferase (NMAT) from Bacillus anthracis.

A. Mesecar, B. Santarsiero, Valerie C. Sershon, 2009, Journal of molecular biology.

X-ray structure and inhibition of the feline infectious peritonitis virus 3C-like protease: Structural implications for drug design

Arun K. Ghosh, A. Mesecar, Sarah E. St. John, 2015, Bioorganic & Medicinal Chemistry Letters.

SHIP1 therapeutic target enablement: Identification and evaluation of inhibitors for the treatment of late‐onset Alzheimer's disease

A. Oblak, A. Mesecar, S. Quinney, 2023, Alzheimer's & dementia.

Supporting Information Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protease by Deep Docking of 1.3 Billion Compounds

A. Mesecar, A. Cherkasov, Francesco Gentile, 2020 .

Cholesterol Sulfonation Enzyme, SULT2B1b, Modulates AR and Cell Growth Properties in Prostate Cancer

R. Cooks, Liang Cheng, L. Eberlin, 2016, Molecular Cancer Research.