About P-glycoprotein: a new drugable domain is emerging from structural data

Energy transduction and alternating access of the mammalian ABC transporter P-glycoprotein

(2017) Brandy Verhalen et al.   NATURE

Toward a Better Understanding of the Complexity of Cancer Drug Resistance

(2016) Michael M. Gottesman et al.   Annual Review of Pharmacology and Toxicology

P-glycoprotein ATPase activity requires lipids to activate a switch at the first transmission interface

(2016) Tip W. Loo et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Drugs Modulate Interactions between the First Nucleotide-Binding Domain and the Fourth Cytoplasmic Loop of Human P-Glycoprotein

(2016) Tip W. Loo et al.   BIOCHEMISTRY

Atomic Structure of the Cystic Fibrosis Transmembrane Conductance Regulator

(2016) Zhe Zhang et al.   CELL

Modulation of P-glycoprotein activity by novel synthetic curcumin derivatives in sensitive and multidrug-resistant T-cell acute lymphoblastic leukemia cell lines

(2016) Edna Ooko et al.   TOXICOLOGY AND APPLIED PHARMACOLOGY

Global marine pollutants inhibit P-glycoprotein: Environmental levels, inhibitory effects, and cocrystal structure

(2016) S. C. T. Nicklisch et al.   Science Advances

Homology modelling of human P-glycoprotein

(2015) L. Domicevica et al.   BIOCHEMICAL SOCIETY TRANSACTIONS

ABC transporter research: going strong 40 years on

(2015) F. L. Theodoulou et al.   BIOCHEMICAL SOCIETY TRANSACTIONS

Providing a molecular mechanism for P-glycoprotein; why would I bother?

(2015) R. Callaghan   BIOCHEMICAL SOCIETY TRANSACTIONS

Multiple Drug Transport Pathways through Human P-Glycoprotein

(2015) James W. McCormick et al.   BIOCHEMISTRY

P-glycoprotein and membrane roles in multidrug resistance

(2015) Ricardo J Ferreira et al.   Future Medicinal Chemistry

The Transmission Interfaces Contribute Asymmetrically to the Assembly and Activity of Human P-glycoprotein

(2015) Tip W. Loo et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Mapping the Binding Site of the Inhibitor Tariquidar That Stabilizes the First Transmembrane Domain of P-glycoprotein

(2015) Tip W. Loo et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Identification of Possible Binding Sites for Morphine and Nicardipine on the Multidrug Transporter P-Glycoprotein Using Umbrella Sampling Techniques

(2015) Nandhitha Subramanian et al.   Journal of Chemical Information and Modeling

Do Drugs Have Access to the P-Glycoprotein Drug-Binding Pocket through Gates?

(2015) Ricardo J. Ferreira et al.   Journal of Chemical Theory and Computation

Probing Structural Determinants of ATP-Binding Cassette Exporter Conformational Transition Using Coarse-Grained Molecular Dynamics

(2015) Zi Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Mechanical Properties of Nanoscopic Lipid Domains

(2015) Jonathan D. Nickels et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Do adsorbed drugs onto P-glycoprotein influence its efflux capability?

(2015) Ricardo J. Ferreira et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Allosteric transitions of ATP-binding cassette transporter MsbA studied by the adaptive anisotropic network model

(2015) Xiao Lu Xie et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein

(2015) Paul Szewczyk et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Analysis of the Structural and Functional Roles of Coupling Helices in the ATP-Binding Cassette Transporter MsbA through Enzyme Assays and Molecular Dynamics Simulations

(2014) Tadaomi Furuta et al.   BIOCHEMISTRY

Translocation mechanism of P-glycoprotein and conformational changes occurring at drug-binding site: Insights from multi-targeted molecular dynamics

(2014) Rameshwar Prajapati et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Targeting the Achilles Heel of Multidrug-Resistant Cancer by Exploiting the Fitness Cost of Resistance

(2014) Gergely Szakács et al.   CHEMICAL REVIEWS

The Q loops of the human multidrug resistance transporter ABCB1 are necessary to couple drug binding to the ATP catalytic cycle

(2014) Joseph K. Zolnerciks et al.   FASEB JOURNAL

Cancer incidence and mortality worldwide: Sources, methods and major patterns in GLOBOCAN 2012

(2014) Jacques Ferlay et al.   INTERNATIONAL JOURNAL OF CANCER

Cysteines Introduced into Extracellular Loops 1 and 4 of Human P-Glycoprotein That Are Close Only in the Open Conformation Spontaneously Form a Disulfide Bond That Inhibits Drug Efflux and ATPase Activity

(2014) Tip W. Loo et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Structural basis for gating mechanisms of a eukaryotic P-glycoprotein homolog

(2014) A. Kodan et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Reversing cancer multidrug resistance: insights into the efflux by ABC transports from in silico studies

(2014) Ricardo J. Ferreira et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Conserved Walker A Cysteines 431 and 1074 in Human P-Glycoprotein Are Accessible to Thiol-Specific Agents in the Apo and ADP-Vanadate Trapped Conformations

(2013) Hong-May Sim et al.   BIOCHEMISTRY

Drug Rescue Distinguishes between Different Structural Models of Human P-Glycoprotein

(2013) Tip W. Loo et al.   BIOCHEMISTRY

A Salt Bridge in Intracellular Loop 2 Is Essential for Folding of Human P-Glycoprotein

(2013) Tip W. Loo et al.   BIOCHEMISTRY

Fluorescent probes of the isoxazole–dihydropyridine scaffold: MDR-1 binding and homology model

(2013) Monika I. Szabon-Watola et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Protein Contacts and Ligand Binding in the Inward-Facing Model of Human P-Glycoprotein

(2013) Ilza K. Pajeva et al.   ChemMedChem

Locking Intracellular Helices 2 and 3 Together Inactivates Human P-glycoprotein

(2013) Tip W. Loo et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Human P-glycoprotein Contains a Greasy Ball-and-Socket Joint at the Second Transmission Interface

(2013) Tip W. Loo et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Mutations in Intracellular Loops 1 and 3 Lead to Misfolding of Human P-glycoprotein (ABCB1) That Can Be Rescued by Cyclosporine A, Which Reduces Its Association with Chaperone Hsp70

(2013) Khyati Kapoor et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

On the Origin of Large Flexibility of P-glycoprotein in the Inward-facing State

(2013) Po-Chao Wen et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Molecular Docking Characterizes Substrate-Binding Sites and Efflux Modulation Mechanisms within P-Glycoprotein.

(2013) Ricardo J. Ferreira et al.   Journal of Chemical Information and Modeling

Molecular insight into conformational transmission of human P-glycoprotein

(2013) Shan-Yan Chang et al.   JOURNAL OF CHEMICAL PHYSICS

Assessing the Stabilization of P-Glycoprotein’s Nucleotide-Binding Domains by the Linker, Using Molecular Dynamics

(2013) Ricardo J. Ferreira et al.   Molecular Informatics

Functional Impact of ABCB1 Variants on Interactions between P-Glycoprotein and Methadone

(2013) Chin-Chuan Hung et al.   PLoS One

Multiple Transport-Active Binding Sites Are Available for a Single Substrate on Human P-Glycoprotein (ABCB1)

(2013) Eduardo E. Chufan et al.   PLoS One

Structures of ABCB10, a human ATP-binding cassette transporter in apo- and nucleotide-bound states

(2013) C. A. Shintre et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain

(2013) A. B. Ward et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Refined structures of mouse P-glycoprotein

(2013) Jingzhi Li et al.   PROTEIN SCIENCE

Substrate versus inhibitor dynamics of P-glycoprotein

(2013) Jerome Ma et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Evidence for Modulatory Sites at the Lipid–Protein Interface of the Human Multidrug Transporter P-Glycoprotein

(2012) Debjani Mandal et al.   BIOCHEMISTRY

Catalytic Transitions in the Human MDR1 P-Glycoprotein Drug Binding Sites

(2012) John G. Wise   BIOCHEMISTRY

P-glycoprotein is fully active after multiple tryptophan substitutions

(2012) Douglas J. Swartz et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Phase Behavior of Lipid Bilayers under Tension

(2012) Mark J. Uline et al.   BIOPHYSICAL JOURNAL

HG-829 Is a Potent Noncompetitive Inhibitor of the ATP-Binding Cassette Multidrug Resistance TransporterABCB1

(2012) Gisela Caceres et al.   CANCER RESEARCH

Fragment-Based Screening by Protein Crystallography: Successes and Pitfalls

(2012) Zorik Chilingaryan et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

The ATPase Activity of the P-glycoprotein Drug Pump Is Highly Activated When the N-terminal and Central Regions of the Nucleotide-binding Domains Are Linked Closely Together

(2012) Tip W. Loo et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Insights on P-Glycoprotein’s Efflux Mechanism Obtained by Molecular Dynamics Simulations

(2012) Ricardo J. Ferreira et al.   Journal of Chemical Theory and Computation

The Effect of Environment on the Structure of a Membrane Protein: P-Glycoprotein under Physiological Conditions

(2012) Megan L. O’Mara et al.   Journal of Chemical Theory and Computation

The Power Stroke Driven by ATP Binding in CFTR As Studied by Molecular Dynamics Simulations

(2012) Tomoka Furukawa-Hagiya et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Crystal structure of the multidrug transporter P-glycoprotein from Caenorhabditis elegans

(2012) Mi Sun Jin et al.   NATURE

Perspectives on the structure–function of ABC transporters: The Switch and Constant Contact Models

(2012) Anthony M. George et al.   PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY

Toward a Better Pharmacophore Description of P-Glycoprotein Modulators, Based on Macrocyclic Diterpenes fromEuphorbiaSpecies

(2011) Ricardo J. Ferreira et al.   Journal of Chemical Information and Modeling

Human P-glycoprotein is active when the two halves are clamped together in the closed conformation

(2010) Tip W. Loo et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Model quality assessment for membrane proteins

(2010) Arjun Ray et al.   BIOINFORMATICS

Characterization of an Asymmetric Occluded State of P-glycoprotein with Two Bound Nucleotides

(2010) Alena Siarheyeva et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Identification of an ABCB/P-glycoprotein-specific Inhibitor of Auxin Transport by Chemical Genomics

(2010) Jun-Young Kim et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Molecular Dissection of Dual Pseudosymmetric Solute Translocation Pathways in Human P-Glycoprotein

(2010) Z. Parveen et al.   MOLECULAR PHARMACOLOGY

Lipid dependence of ABC transporter localization and function

(2009) Karin Klappe et al.   CHEMISTRY AND PHYSICS OF LIPIDS

Functional role of the linker region in purified human P-glycoprotein

(2009) Tomomi Sato et al.   FEBS Journal

Rhodamine Inhibitors of P-Glycoprotein: An Amide/Thioamide “Switch” for ATPase Activity

(2009) Michael K. Gannon et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structure of P-Glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding

(2009) S. G. Aller et al.   SCIENCE

Molecular models of human P-glycoprotein in two different catalytic states

(2009) Jean-Paul Becker et al.   BMC STRUCTURAL BIOLOGY

P-Glycoprotein Senses Its Substrates and the Lateral Membrane Packing Density: Consequences for the Catalytic Cycle†

(2008) Päivi Äänismaa et al.   BIOCHEMISTRY

Identification of Putative Binding Sites of P-glycoprotein Based on its Homology Model

(2008) Christoph Globisch et al.   ChemMedChem

P-glycoprotein inhibition by membrane cholesterol modulation

(2008) Ferenc Fenyvesi et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

Arginines in the First Transmembrane Segment Promote Maturation of a P-glycoprotein Processing Mutant by Hydrogen Bond Interactions with Tyrosines in Transmembrane Segment 11

(2008) Tip W. Loo et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Opening of the ADP-bound active site in the ABC transporter ATPase dimer: Evidence for a constant contact, alternating sites model for the catalytic cycle

(2008) Peter M. Jones et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS