Insights into substrate transport and water permeation in the mycobacterial transporter MmpL3

Supramolecular organization and dynamics of mannosylated phosphatidylinositol lipids in the mycobacterial plasma membrane

(2023) Chelsea M. Brown et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Interim Guidance: 4-Month Rifapentine-Moxifloxacin Regimen for the Treatment of Drug-Susceptible Pulmonary Tuberculosis — United States, 2022

(2022) Wendy Carr et al.   MMWR-MORBIDITY AND MORTALITY WEEKLY REPORT

Proton transfer activity of the reconstituted Mycobacterium tuberculosis MmpL3 is modulated by substrate mimics and inhibitors

(2022) Casey M. Stevens et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

MmpL3 Inhibition as a Promising Approach to Develop Novel Therapies against Tuberculosis: A Spotlight on SQ109, Clinical Studies, and Patents Literature

(2022) Mohd. Imran et al.   Biomedicines

Highly accurate protein structure prediction with AlphaFold

(2021) John Jumper et al.   NATURE

Cryo-EM structure and resistance landscape of M. tuberculosis MmpL3: An emergent therapeutic target

(2021) Oliver Adams et al.   STRUCTURE

Structures of the mycobacterial membrane protein MmpL3 reveal its mechanism of lipid transport

(2021) Chih-Chia Su et al.   PLOS BIOLOGY

Targeting MmpL3 for anti-tuberculosis drug development

(2020) Jani R. Bolla   BIOCHEMICAL SOCIETY TRANSACTIONS

Scalable molecular dynamics on CPU and GPU architectures with NAMD

(2020) James C. Phillips et al.   JOURNAL OF CHEMICAL PHYSICS

Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target

(2019) Bing Zhang et al.   CELL

MmpL3 is a lipid transporter that binds trehalose monomycolate and phosphatidylethanolamine

(2019) Chih-Chia Su et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Accelerating Membrane Simulations with Hydrogen Mass Repartitioning

(2019) Curtis Balusek et al.   Journal of Chemical Theory and Computation

Conformational Dynamics of AcrA Govern Multidrug Efflux Pump Assembly

(2019) Anthony J. Hazel et al.   ACS Infectious Diseases

Recent updates on drug resistance in Mycobacterium tuberculosis

(2019) R. Singh et al.   JOURNAL OF APPLIED MICROBIOLOGY

Progression from latent infection to active disease in dynamic tuberculosis transmission models: a systematic review of the validity of modelling assumptions

(2018) Nicolas A Menzies et al.   LANCET INFECTIOUS DISEASES

SWISS-MODEL: homology modelling of protein structures and complexes

(2018) Andrew Waterhouse et al.   NUCLEIC ACIDS RESEARCH

Trans-envelope multidrug efflux pumps of Gram-negative bacteria and their synergism with the outer membrane barrier

(2018) Helen I. Zgurskaya et al.   RESEARCH IN MICROBIOLOGY

Constant pH Molecular Dynamics Reveals How Proton Release Drives the Conformational Transition of a Transmembrane Efflux Pump

(2017) Zhi Yue et al.   Journal of Chemical Theory and Computation

MmpL3 is the flippase for mycolic acids in mycobacteria

(2017) Zhujun Xu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Official American Thoracic Society/Centers for Disease Control and Prevention/Infectious Diseases Society of America Clinical Practice Guidelines: Treatment of Drug-Susceptible Tuberculosis

(2016) Payam Nahid et al.   CLINICAL INFECTIOUS DISEASES

Gaussian Accelerated Molecular Dynamics in NAMD

(2016) Yui Tik Pang et al.   Journal of Chemical Theory and Computation

CHARMM36m: an improved force field for folded and intrinsically disordered proteins

(2016) Jing Huang et al.   NATURE METHODS

Structure–Function Profile of MmpL3, the Essential Mycolic Acid Transporter from Mycobacterium tuberculosis

(2016) Juan Manuel Belardinelli et al.   ACS Infectious Diseases

Long-Time-Step Molecular Dynamics through Hydrogen Mass Repartitioning

(2015) Chad W. Hopkins et al.   Journal of Chemical Theory and Computation

Insights into the smooth-to-rough transitioning in Mycobacterium bolletii unravels a functional Tyr residue conserved in all mycobacterial MmpL family members

(2015) Audrey Bernut et al.   MOLECULAR MICROBIOLOGY

Acetylation of Trehalose Mycolates Is Required for Efficient MmpL-Mediated Membrane Transport in Corynebacterineae

(2014) Yoshiki Yamaryo-Botte et al.   ACS Chemical Biology

Mycolic Acids: Structures, Biosynthesis, and Beyond

(2014) Hedia Marrakchi et al.   CHEMISTRY & BIOLOGY

Extensive Drug Resistance Acquired During Treatment of Multidrug-Resistant Tuberculosis

(2014) J. Peter Cegielski et al.   CLINICAL INFECTIOUS DISEASES

Lightweight object oriented structure analysis: Tools for building tools to analyze molecular dynamics simulations

(2014) Tod D. Romo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

CHARMM-GUIMembrane Buildertoward realistic biological membrane simulations

(2014) Emilia L. Wu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Deciphering key features in protein structures with the new ENDscript server

(2014) Xavier Robert et al.   NUCLEIC ACIDS RESEARCH

Trehalose 6,6′-dimycolate – A coat to regulate tuberculosis immunopathogenesis

(2014) Kerry J. Welsh et al.   TUBERCULOSIS

The Mycobacterial Cell Envelope--Lipids

(2014) M. Jackson   Cold Spring Harbor Perspectives in Medicine

Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB

(2014) Thomas Eicher et al.   eLife

Transient formation of water-conducting states in membrane transporters

(2013) J. Li et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Role of efflux pumps in the antibiotic resistance of bacteria embedded in a biofilm

(2013) Sara M. Soto   Virulence

SQ109 Targets MmpL3, a Membrane Transporter of Trehalose Monomycolate Involved in Mycolic Acid Donation to the Cell Wall Core of Mycobacterium tuberculosis

(2012) Kapil Tahlan et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

MmpL Genes Are Associated with Mycolic Acid Metabolism in Mycobacteria and Corynebacteria

(2012) Cristian Varela et al.   CHEMISTRY & BIOLOGY

Inhibition of mycolic acid transport across the Mycobacterium tuberculosis plasma membrane

(2012) Anna E Grzegorzewicz et al.   Nature Chemical Biology

Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop

(2012) T. Eicher et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

MmpL3 Is the Cellular Target of the Antitubercular Pyrrole Derivative BM212

(2011) Valentina La Rosa et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

(2010) Jeffery B. Klauda et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The AcrB Efflux Pump: Conformational Cycling and Peristalsis Lead to Multidrug Resistance

(2008) Markus Seeger et al.   CURRENT DRUG TARGETS

CHARMM-GUI: A web-based graphical user interface for CHARMM

(2008) Sunhwan Jo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY