Structure-aided optimization of non-nucleoside M. tuberculosis thymidylate kinase inhibitors

Subcellular antibiotic visualization reveals a dynamic drug reservoir in infected macrophages

(2019) Daniel J. Greenwood et al.   SCIENCE

Hit Generation in TB Drug Discovery: From Genome to Granuloma

(2018) Tianao Yuan et al.   CHEMICAL REVIEWS

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

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

Discovery of novel 7-aryl 7-deazapurine 3’-deoxy-ribofuranosyl nucleosides with potent activity against Trypanosoma cruzi

(2018) Fabian Hulpia et al.   JOURNAL OF MEDICINAL CHEMISTRY

Easy-To-Synthesize Spirocyclic Compounds Possess Remarkable in Vivo Activity against Mycobacterium tuberculosis

(2018) Ana Guardia et al.   JOURNAL OF MEDICINAL CHEMISTRY

Visualization of mycobacterial membrane dynamics in live cells

(2017) Frances P. Rodriguez-Rivera et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Predictive compound accumulation rules yield a broad-spectrum antibiotic

(2017) Michelle F. Richter et al.   NATURE

Elaboration of a proprietary thymidylate kinase inhibitor motif towards anti-tuberculosis agents

(2016) Lijun Song et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Thioridazine Alters the Cell-Envelope Permeability of Mycobacterium tuberculosis

(2016) Jeroen de Keijzer et al.   JOURNAL OF PROTEOME RESEARCH

Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds

(2015) Magdalena Makowska-Grzyska et al.   PLoS One

Towards a new combination therapy for tuberculosis with next generation benzothiazinones

(2014) V. Makarov et al.   EMBO Molecular Medicine

Comprehensive physicochemical, pharmacokinetic and activity profiling of anti-TB agents

(2014) Suresh B. Lakshminarayana et al.   JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY

Structure Guided Lead Generation for M. tuberculosis Thymidylate Kinase (Mtb TMK): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-one as Potent Inhibitors

(2014) Maruti Naik et al.   JOURNAL OF MEDICINAL CHEMISTRY

Predicting natural product value, an exploration of anti-TB drug space

(2014) Yousef Dashti et al.   NATURAL PRODUCT REPORTS

Techniques, tools and best practices for ligand electron-density analysis and results from their application to deposited crystal structures

(2013) Edwin Pozharski et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Design, synthesis and biological evaluation of 2-substituted quinolines as potential antileishmanial agents

(2013) Vadiraj S. Gopinath et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Role of the Mmr Efflux Pump in Drug Resistance in Mycobacterium tuberculosis

(2012) L. Rodrigues et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Drug Design and Identification of Potent Leads Against Mycobacterium tuberculosis Thymidine Monophosphate Kinase

(2012) S. Van Calenbergh et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Inhibitors of mycobacterial efflux pumps as potential boosters for anti-tubercular drugs

(2012) Miguel Viveiros et al.   Expert Review of Anti-Infective Therapy

High-Resolution Phenotypic Profiling Defines Genes Essential for Mycobacterial Growth and Cholesterol Catabolism

(2011) Jennifer E. Griffin et al.   PLoS Pathogens

Integration, scaling, space-group assignment and post-refinement

(2010) Wolfgang Kabsch   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Features and development ofCoot

(2010) P. Emsley et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

PHENIX: a comprehensive Python-based system for macromolecular structure solution

(2010) Paul D. Adams et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Cu-Catalyzed Arylation of Phenols: Synthesis of Sterically Hindered and Heteroaryl Diaryl Ethers

(2010) Debabrata Maiti et al.   JOURNAL OF ORGANIC CHEMISTRY

Computational databases, pathway and cheminformatics tools for tuberculosis drug discovery

(2010) Sean Ekins et al.   TRENDS IN MICROBIOLOGY

MolProbity: all-atom structure validation for macromolecular crystallography

(2009) Vincent B. Chen et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Identifying and Characterizing Binding Sites and Assessing Druggability

(2009) Thomas A. Halgren   Journal of Chemical Information and Modeling

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Strong Conformational Preferences of Heteroaromatic Ethers and Electron Pair Repulsion

(2009) Rong-Jie Chein et al.   ORGANIC LETTERS

Diastereodivergent Aldol Reactions of β-Alkoxy Ethyl Ketones: Modular Access to (1,4)-synand -antiPolypropionates

(2008) Fatih Arikan et al.   ORGANIC LETTERS

Total synthesis of ovalifoliolatin B, acerogenins A and C

(2008) G.D. Kishore Kumar et al.   TETRAHEDRON LETTERS