An Outline of the Latest Crystallographic Studies on Inhibitor-Enzyme Complexes for the Design and Development of New Therapeutics against Tuberculosis

Synthesis, Characterization, and Biological Evaluation of New Derivatives Targeting MbtI as Antitubercular Agents

(2021) Matteo Mori et al.   Pharmaceuticals

Heterogeneous multimeric structure of isocitrate lyase in complex with succinate and itaconate provides novel insights into its inhibitory mechanism

(2021) Sunghark Kwon et al.   PLoS One

Inhibition of Mycobacterium tuberculosis Dethiobiotin Synthase (MtDTBS): Toward Next-Generation Antituberculosis Agents

(2021) Nicholas C. Schumann et al.   ACS Chemical Biology

Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogen Mycobacterium tuberculosis

(2020) Ghader Bashiri et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Protein X-ray Crystallography and Drug Discovery

(2020) Laurent Maveyraud et al.   MOLECULES

Allosteric inhibitors of Mycobacterium tuberculosis tryptophan synthase

(2020) Karolina Michalska et al.   PROTEIN SCIENCE

The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD

(2020) Qingan Sun et al.   Nature Communications

Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis from Mycobacterium tuberculosis

(2020) Ankita Punetha et al.   ACS Chemical Biology

Fragment-Based Design of Mycobacterium tuberculosis InhA Inhibitors

(2020) Mohamad Sabbah et al.   JOURNAL OF MEDICINAL CHEMISTRY

d-Cycloserine destruction by alanine racemase and the limit of irreversible inhibition

(2020) Cesira de Chiara et al.   Nature Chemical Biology

Exploring the SAR of the β-Ketoacyl-ACP Synthase Inhibitor GSK3011724A and Optimization around a Genotoxic Metabolite

(2020) Fraser Cunningham et al.   ACS Infectious Diseases

Endeavors towards transformation of M. tuberculosis thymidylate kinase (MtbTMPK) inhibitors into potential antimycobacterial agents

(2020) Yanlin Jian et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Shedding X-ray Light on the Role of Magnesium in the Activity of Mycobacterium tuberculosis Salicylate Synthase (MbtI) for Drug Design

(2020) Matteo Mori et al.   JOURNAL OF MEDICINAL CHEMISTRY

Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase from Mycobacterium tuberculosis

(2020) João A. Ribeiro et al.   ACS Infectious Diseases

Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis

(2020) Tatsiana Varaksa et al.   JOURNAL OF MOLECULAR BIOLOGY

New insight into structure-activity of furan-based salicylate synthase (MbtI) inhibitors as potential antitubercular agents

(2019) Laurent R. Chiarelli et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

An Overview on the Potential Antimycobacterial Agents Targeting Serine/Threonine Protein Kinases from Mycobacterium tuberculosis

(2019) Matteo Mori et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Novel Antimycobacterial Compounds Suppress NAD Biogenesis by Targeting a Unique Pocket of NaMN Adenylyltransferase

(2019) Andrei L. Osterman et al.   ACS Chemical Biology

Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase

(2019) Roberto A. Crespo et al.   JOURNAL OF MEDICINAL CHEMISTRY

Principles for Integrative Structural Biology Studies

(2019) Michael P. Rout et al.   CELL

Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism

(2019) Wenhe Zhong et al.   JOURNAL OF MEDICINAL CHEMISTRY

Targeting of Fumarate Hydratase from Mycobacterium tuberculosis Using Allosteric Inhibitors with a Dimeric-Binding Mode

(2019) Andrew J. Whitehouse et al.   JOURNAL OF MEDICINAL CHEMISTRY

Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis

(2019) Keith D. Green et al.   ACS Infectious Diseases

Structure–Activity Relationships of cyclo(l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct

(2019) Sunnia Rajput et al.   JOURNAL OF MEDICINAL CHEMISTRY

Itaconyl-CoA forms a stable biradical in methylmalonyl-CoA mutase and derails its activity and repair

(2019) Markus Ruetz et al.   SCIENCE

Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography

(2019) Pharit Kamsri et al.   Journal of Chemical Information and Modeling

Hit Generation in TB Drug Discovery: From Genome to Granuloma

(2018) Tianao Yuan et al.   CHEMICAL REVIEWS

Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA

(2018) Federica Prati et al.   ChemMedChem

Discovery and development of novel salicylate synthase (MbtI) furanic inhibitors as antitubercular agents

(2018) Laurent R. Chiarelli et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors

(2018) Lijun Song et al.   JOURNAL OF MEDICINAL CHEMISTRY

Cryo-EM in drug discovery: achievements, limitations and prospects

(2018) Jean-Paul Renaud et al.   NATURE REVIEWS DRUG DISCOVERY

Potent 1,2,4-Triazino[5,6b]indole-3-thioether Inhibitors of the Kanamycin Resistance Enzyme Eis from Mycobacterium tuberculosis

(2018) Huy X. Ngo et al.   ACS Infectious Diseases

Anion-π Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids

(2018) Jill F. Ellenbarger et al.   Journal of Chemical Information and Modeling

Novel insight into the reaction of nitro, nitroso and hydroxylamino benzothiazinones and of benzoxacinones with Mycobacterium tuberculosis DprE1

(2018) Adrian Richter et al.   Scientific Reports

In Silico Screen and Structural Analysis Identifies Bacterial Kinase Inhibitors which Act with β-Lactams To Inhibit Mycobacterial Growth

(2018) Nathan Wlodarchak et al.   MOLECULAR PHARMACEUTICS

Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA

(2018) Pradeep Kumar et al.   mBio

A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase

(2017) Samantha Wellington et al.   Nature Chemical Biology

Inhibiting mycobacterial tryptophan synthase by targeting the inter-subunit interface

(2017) Katherine A. Abrahams et al.   Scientific Reports

Selective small molecule inhibitor of theMycobacterium tuberculosisfumarate hydratase reveals an allosteric regulatory site

(2016) Monica Kasbekar et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Identification of KasA as the cellular target of an anti-tubercular scaffold

(2016) Katherine A. Abrahams et al.   Nature Communications

Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA

(2015) Cheng-Tsung Lai et al.   BIOCHEMISTRY

Nucleotide triphosphate promiscuity in Mycobacterium tuberculosis dethiobiotin synthetase

(2015) Wanisa Salaemae et al.   TUBERCULOSIS

Lead Optimization of a Novel Series of Imidazo[1,2-a]pyridine Amides Leading to a Clinical Candidate (Q203) as a Multi- and Extensively-Drug-Resistant Anti-tuberculosis Agent

(2014) Sunhee Kang et al.   JOURNAL OF MEDICINAL CHEMISTRY

Allosteric regulation of substrate channeling and catalysis in the tryptophan synthase bienzyme complex

(2012) Michael F. Dunn   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

Structure-Guided Discovery of Phenyl-diketo Acids as Potent Inhibitors of M. tuberculosis Malate Synthase

(2012) Inna V. Krieger et al.   CHEMISTRY & BIOLOGY

Protein targets for structure-based anti-Mycobacterium tuberculosis drug discovery

(2010) Zhiyong Lou et al.   Protein & Cell

Benzothiazinones Kill Mycobacterium tuberculosis by Blocking Arabinan Synthesis

(2009) V. Makarov et al.   SCIENCE