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

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

(2012) John G. Wise   BIOCHEMISTRY

Intestinal permeability of lamivudine (3TC) and two novel 3TC prodrugs. Experimental and theoretical analyses

(2012) María S. Gualdesi et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

Asymmetric states of vitamin B12transporter BtuCD are not discriminated by its cognate substrate binding protein BtuF

(2012) Vladimir M. Korkhov et al.   FEBS LETTERS

The flexibility of P-glycoprotein for its poly-specific drug binding from molecular dynamics simulations

(2012) Ming Liu et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Several New Diverse Anticonvulsant Agents Discovered in a Virtual Screening Campaign Aimed at Novel Antiepileptic Drugs to Treat Refractory Epilepsy

(2012) Mauricio E. Di Ianni et al.   Journal of Chemical Information and Modeling

Structure–Activity Relationships, Ligand Efficiency, and Lipophilic Efficiency Profiles of Benzophenone-Type Inhibitors of the Multidrug Transporter P-Glycoprotein

(2012) Ishrat Jabeen et al.   JOURNAL OF MEDICINAL CHEMISTRY

A plausible explanation for enhanced bioavailability of P-gp substrates in presence of piperine: simulation for next generation of P-gp inhibitors

(2012) Durg Vijay Singh et al.   JOURNAL OF MOLECULAR MODELING

Role of the D-Loops in Allosteric Control of ATP Hydrolysis in an ABC Transporter

(2012) Peter M. Jones et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Molecular Dynamics Simulations of the Bacterial ABC Transporter SAV1866 in the Closed Form

(2012) Jean-François St-Pierre et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Crystal structure of a heterodimeric ABC transporter in its inward-facing conformation

(2012) Michael Hohl et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Dynamics of a bacterial multidrug ABC transporter in the inward- and outward-facing conformations

(2012) S. Mehmood et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Dual inhibitors of P-glycoprotein and tumor cell growth: (Re)discovering thioxanthones

(2011) Andreia Palmeira et al.   BIOCHEMICAL PHARMACOLOGY

ATP hydrolysis at one of the two sites in ABC transporters initiates transport related conformational transitions

(2011) Gergely Gyimesi et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Conformational Coupling of the Nucleotide-Binding and the Transmembrane Domains in ABC Transporters

(2011) Po-Chao Wen et al.   BIOPHYSICAL JOURNAL

Catalytic and transport cycles of ABC exporters

(2011) Marwan K. Al-Shawi   Essays in Biochemistry

The P-glycoprotein multidrug transporter

(2011) Frances J. Sharom   Essays in Biochemistry

Multidrug resistance proteins (MRPs/ABCCs) in cancer chemotherapy and genetic diseases

(2011) Zhe-Sheng Chen et al.   FEBS Journal

P-glycoprotein Retains Drug-stimulated ATPase Activity upon Covalent Linkage of the Two Nucleotide Binding Domains at Their C-terminal Ends

(2011) Brandy Verhalen et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Dynamic Ligand-induced Conformational Rearrangements in P-glycoprotein as Probed by Fluorescence Resonance Energy Transfer Spectroscopy

(2011) Brandy Verhalen et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

The Pfam protein families database

(2011) M. Punta et al.   NUCLEIC ACIDS RESEARCH

Predicting P-Glycoprotein-Mediated Drug Transport Based On Support Vector Machine and Three-Dimensional Crystal Structure of P-glycoprotein

(2011) Zsolt Bikadi et al.   PLoS One

Snapshots of the maltose transporter during ATP hydrolysis

(2011) M. L. Oldham et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Conformational changes induced by ATP-hydrolysis in an ABC transporter: A molecular dynamics study of the Sav1866 exporter

(2011) A. Sofia Oliveira et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Exhaustive Sampling of Docking Poses Reveals Binding Hypotheses for Propafenone Type Inhibitors of P-Glycoprotein

(2011) Freya Klepsch et al.   PLoS Computational Biology

Predicting Binding to P-Glycoprotein by Flexible Receptor Docking

(2011) Elena Dolghih et al.   PLoS Computational Biology

Inter-domain Communication Mechanisms in an ABC Importer: A Molecular Dynamics Study of the MalFGK2E Complex

(2011) A. Sofia F. Oliveira et al.   PLoS Computational Biology

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

Marine sponge-derived sipholane triterpenoids reverse P-glycoprotein (ABCB1)-mediated multidrug resistance in cancer cells

(2010) Ioana Abraham et al.   BIOCHEMICAL PHARMACOLOGY

Recognition of Sulfonylurea Receptor (ABCC8/9) Ligands by the Multidrug Resistance Transporter P-glycoprotein (ABCB1)

(2010) Anis Bessadok et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Dynamics and Structural Changes Induced by ATP Binding in SAV1866, a Bacterial ABC Exporter

(2010) Jean-Paul Becker et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Asymmetric Switching in a Homodimeric ABC Transporter: A Simulation Study

(2010) Jussi Aittoniemi et al.   PLoS Computational Biology

The mechanism of ABC transporters: general lessons from structural and functional studies of an antigenic peptide transporter

(2009) Erik Procko et al.   FASEB JOURNAL

Comparison of the inward- and outward-open homology models and ligand binding of human P-glycoprotein

(2009) Ilza K. Pajeva et al.   FEBS Journal

Conformational Cycle of the ABC Transporter MsbA in Liposomes: Detailed Analysis Using Double Electron–Electron Resonance Spectroscopy

(2009) Ping Zou et al.   JOURNAL OF MOLECULAR BIOLOGY

Alternating Access in Maltose Transporter Mediated by Rigid-Body Rotations

(2009) Dheeraj Khare et al.   MOLECULAR CELL

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

(2009) S. G. Aller et al.   SCIENCE

ABC transporters: a riddle wrapped in a mystery inside an enigma

(2009) Peter M. Jones et al.   TRENDS IN BIOCHEMICAL SCIENCES

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

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

Molecular basis of multidrug transport by ABC transporters

(2008) Markus A. Seeger et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

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

(2008) Christoph Globisch et al.   ChemMedChem

Structural insights into ABC transporter mechanism

(2008) Michael L Oldham et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Structure and mechanism of ATP-binding cassette transporters

(2008) K. P Locher   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES

Both maltose-binding protein and ATP are required for nucleotide-binding domain closure in the intact maltose ABC transporter

(2008) C. Orelle et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA