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

Co-crystal structures of P-glycoprotein with a series of engineered ligands reveal multiple ligand-binding modes, a ligand-binding site on the outer surface of the transporter and a conformational change that may couple to ATP hydrolysis.

[1]  M. Hohl,et al.  Crystal structure of a heterodimeric ABC transporter in its inward-facing conformation , 2012, Nature Structural &Molecular Biology.

[2]  Smriti,et al.  Mapping Daunorubicin-binding Sites in the ATP-binding Cassette Transporter MsbA Using Site-specific Quenching by Spin Labels* , 2009, Journal of Biological Chemistry.

[3]  D. Clarke,et al.  Substrate-induced Conformational Changes in the Transmembrane Segments of Human P-glycoprotein , 2003, The Journal of Biological Chemistry.

[4]  T. Nakatsu,et al.  Structural basis for gating mechanisms of a eukaryotic P-glycoprotein homolog , 2014, Proceedings of the National Academy of Sciences.

[5]  M. Saraste,et al.  FEBS Lett , 2000 .

[6]  Owen Johnson,et al.  iMOSFLM: a new graphical interface for diffraction-image processing with MOSFLM , 2011, Acta crystallographica. Section D, Biological crystallography.

[7]  B. Sankaran,et al.  Both P-glycoprotein Nucleotide-binding Sites Are Catalytically Active (*) , 1995, The Journal of Biological Chemistry.

[8]  D. Clarke,et al.  Drug Binding in Human P-glycoprotein Causes Conformational Changes in Both Nucleotide-binding Domains* , 2003, The Journal of Biological Chemistry.

[9]  D. Clarke,et al.  Do drug substrates enter the common drug-binding pocket of P-glycoprotein through "gates"? , 2005, Biochemical and biophysical research communications.

[10]  F. Sharom,et al.  Functional Characterization of Escherichia coli MsbA , 2008, Journal of Biological Chemistry.

[11]  Randy J. Read,et al.  Phaser crystallographic software , 2007, Journal of applied crystallography.

[12]  G. A. Scarborough.  Drug-stimulated ATPase activity of the human P-glycoprotein , 1995, Journal of bioenergetics and biomembranes.

[13]  H. V. van Veen,et al.  Substrate Binding Stabilizes a Pre-translocation Intermediate in the ATP-binding Cassette Transport Protein MsbA* , 2013, The Journal of Biological Chemistry.

[14]  G. Chang,et al.  Design and Synthesis of Selenazole‐Containing Peptides for Cocrystallization with P‐Glycoprotein , 2011, Chembiochem : a European journal of chemical biology.

[15]  Vincent B. Chen,et al.  Correspondence e-mail: , 2000 .

[16]  良二 上田.  J. Appl. Cryst.の発刊に際して , 1970 .

[17]  D. Clarke,et al.  Human P-glycoprotein Contains a Greasy Ball-and-Socket Joint at the Second Transmission Interface* , 2013, The Journal of Biological Chemistry.

[18]  Stephen G Aller,et al.  Refined structures of mouse P-glycoprotein , 2013, Protein science : a publication of the Protein Society.

[19]  E. Welker,et al.  Drug-stimulated Nucleotide Trapping in the Human Multidrug Transporter MDR1 , 1998, The Journal of Biological Chemistry.

[20]  P. Emsley,et al.  Features and development of Coot , 2010, Acta crystallographica. Section D, Biological crystallography.

[21]  H. Omote,et al.  The Remarkable Transport Mechanism of P-Glycoprotein: A Multidrug Transporter , 2005, Journal of bioenergetics and biomembranes.

[22]  F. Young.  Biochemistry , 1955, The Indian Medical Gazette.

[23]  Yue Weng,et al.  Structure of P-Glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding , 2009, Science.

[24]  F. Sharom,et al.  Site-directed fluorescence labeling of P-glycoprotein on cysteine residues in the nucleotide binding domains. , 1996, Biochemistry.

[25]  F. Sharom,et al.  The ABC transporter MsbA interacts with lipid A and amphipathic drugs at different sites , 2009, The Biochemical journal.

[26]  E. Pardon,et al.  Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain , 2013, Proceedings of the National Academy of Sciences.

[27]  A. Barr,et al.  Structures of ABCB10, a human ATP-binding cassette transporter in apo- and nucleotide-bound states , 2013, Proceedings of the National Academy of Sciences.

[28]  G. Vogel,et al.  ATPase of Escherichia coli: purification, dissociation, and reconstitution of the active complex from the isolated subunits. , 1976, Biochemistry.

[29]  R. Rosenfeld.  Nature , 2009, Otolaryngology--head and neck surgery : official journal of American Academy of Otolaryngology-Head and Neck Surgery.

[30]  I. Cascorbi,et al.  Role of pharmacogenetics of ATP-binding cassette transporters in the pharmacokinetics of drugs. , 2006, Pharmacology & therapeutics.

[31]  L. Federici,et al.  Functional role of transmembrane helix 6 in drug binding and transport by the ABC transporter MsbA. , 2008, Biochemistry.

[32]  Kanyawim Kirtikara,et al.  Sulforhodamine B colorimetric assay for cytotoxicity screening , 2006, Nature Protocols.

[33]  M. Niemi,et al.  Membrane transporters in drug development , 2010, Nature Reviews Drug Discovery.

[34]  G. G. Stokes.  "J." , 1890, The New Yale Book of Quotations.

[35]  M. Gottesman,et al.  The molecular basis of multidrug resistance in cancer: The early years of P‐glycoprotein research , 2006, FEBS letters.

[36]  I. Pastan,et al.  Evidence for two nonidentical drug-interaction sites in the human P-glycoprotein. , 1997, Proceedings of the National Academy of Sciences of the United States of America.

[37]  Geoffrey Chang,et al.  Flexibility in the ABC transporter MsbA: Alternating access with a twist , 2007, Proceedings of the National Academy of Sciences.

[38]  P. Evans,et al.  Scaling and assessment of data quality. , 2006, Acta crystallographica. Section D, Biological crystallography.

[39]  A. E. Senior,et al.  Characterization of the adenosine triphosphatase activity of Chinese hamster P-glycoprotein. , 1993, The Journal of biological chemistry.

[40]  M. Kuehne,et al.  Evidence for the locations of distinct steroid and Vinca alkaloid interaction domains within the murine mdr1b P-glycoprotein. , 2002, Molecular pharmacology.

[41]  Randy J. Read,et al.  Overview of the CCP4 suite and current developments , 2011, Acta crystallographica. Section D, Biological crystallography.

[42]  Jue Chen,et al.  Crystal structure of the multidrug transporter P-glycoprotein from C. elegans , 2012, Nature.

[43]  V. Ling,et al.  Positively cooperative sites for drug transport by P-glycoprotein with distinct drug specificities. , 1997, European journal of biochemistry.

[44]  P. Zwart,et al.  Towards automated crystallographic structure refinement with phenix.refine , 2012, Acta crystallographica. Section D, Biological crystallography.

[45]  A. Driessen,et al.  Multidrug resistance in Lactococcus lactis: evidence for ATP‐dependent drug extrusion from the inner leaflet of the cytoplasmic membrane. , 1996, The EMBO journal.

[46]  C. Higgins,et al.  Communication between multiple drug binding sites on P-glycoprotein. , 2000, Molecular pharmacology.

[47]  Randy J. Read,et al.  Acta Crystallographica Section D Biological , 2003 .

[48]  G. Chang,et al.  A Gene Optimization Strategy that Enhances Production of Fully Functional P-Glycoprotein in Pichia pastoris , 2011, PloS one.

[49]  R L Juliano,et al.  A surface glycoprotein modulating drug permeability in Chinese hamster ovary cell mutants. , 1976, Biochimica et biophysica acta.

[50]  K. Linton,et al.  Investigational ABC transporter inhibitors , 2012, Expert opinion on investigational drugs.

[51]  I. Pastan,et al.  Partial purification and reconstitution of the human multidrug-resistance pump: characterization of the drug-stimulatable ATP hydrolysis. , 1992, Proceedings of the National Academy of Sciences of the United States of America.

[52]  B. Sankaran,et al.  P-glycoprotein Is Stably Inhibited by Vanadate-induced Trapping of Nucleotide at a Single Catalytic Site (*) , 1995, The Journal of Biological Chemistry.

[53]  R. Schimke,et al.  P-glycoprotein confers methotrexate resistance in 3T6 cells with deficient carrier-mediated methotrexate uptake. , 1996, Proceedings of the National Academy of Sciences of the United States of America.

[54]  D. Clarke,et al.  Mutations to amino acids located in predicted transmembrane segment 6 (TM6) modulate the activity and substrate specificity of human P-glycoprotein. , 1994, Biochemistry.

[55]  R. Pincheira,et al.  Dissection of drug-binding-induced conformational changes in P-glycoprotein. , 1998, European journal of biochemistry.

[56]  Ivan Rayment,et al.  [12] Reductive alkylation of lysine residues to alter crystallization properties of proteins. , 1997, Methods in enzymology.

[57]  K. Henrick,et al.  Inference of macromolecular assemblies from crystalline state. , 2007, Journal of molecular biology.

[58]  I. Pastan,et al.  Photosensitized labeling of a functional multidrug transporter in living drug-resistant tumor cells. , 1990, The Journal of biological chemistry.

[59]  Guidance for Industry Drug Interaction Studies — Study Design , Data Analysis , Implications for Dosing , and Labeling Recommendations , 2022 .

[60]  F. Sharom,et al.  ABC efflux pump-based resistance to chemotherapy drugs. , 2009, Chemical reviews.