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Refined structures of mouse P-glycoprotein.

Li J, Jaimes KF, Aller SG
Protein Sci 23 34-46 (2014)
Related entries: 4m2s, 4m2t

Cited: 206 times
EuropePMC logo PMID: 24155053

Abstract

The recently determined C. elegans P-glycoprotein (Pgp) structure revealed significant deviations compared to the original mouse Pgp structure, which suggested possible misinterpretations in the latter model. To address this concern, we generated an experimental electron density map from single-wavelength anomalous dispersion phasing of an original mouse Pgp dataset to 3.8 Å resolution. The map exhibited significantly more detail compared to the original MAD map and revealed several regions of the structure that required de novo model building. The improved drug-free structure was refined to 3.8 Å resolution with a 9.4 and 8.1% decrease in R(work) and R(free), respectively, (R(work)  = 21.2%, R(free) = 26.6%) and a significant improvement in protein geometry. The improved mouse Pgp model contains ∼95% of residues in the favorable Ramachandran region compared to only 57% for the original model. The registry of six transmembrane helices was corrected, revealing amino acid residues involved in drug binding that were previously unrecognized. Registry shifts (rotations and translations) for three transmembrane (TM)4 and TM5 and the addition of three N-terminal residues were necessary, and were validated with new mercury labeling and anomalous Fourier density. The corrected position of TM4, which forms the frame of a portal for drug entry, had backbone atoms shifted >6 Å from their original positions. The drug translocation pathway of mouse Pgp is 96% identical to human Pgp and is enriched in aromatic residues that likely play a collective role in allowing a high degree of polyspecific substrate recognition.

Reviews - 4m1m mentioned but not cited (14)

  1. Structural diversity of ABC transporters. ter Beek J, Guskov A, Slotboom DJ. J Gen Physiol 143 419-435 (2014)
  2. Structural and functional diversity calls for a new classification of ABC transporters. Thomas C, Aller SG, Beis K, Carpenter EP, Chang G, Chen L, Dassa E, Dean M, Duong Van Hoa F, Ekiert D, Ford R, Gaudet R, Gong X, Holland IB, Huang Y, Kahne DK, Kato H, Koronakis V, Koth CM, Lee Y, Lewinson O, Lill R, Martinoia E, Murakami S, Pinkett HW, Poolman B, Rosenbaum D, Sarkadi B, Schmitt L, Schneider E, Shi Y, Shyng SL, Slotboom DJ, Tajkhorshid E, Tieleman DP, Ueda K, Váradi A, Wen PC, Yan N, Zhang P, Zheng H, Zimmer J, Tampé R. FEBS Lett 594 3767-3775 (2020)
  3. Prediction of drug-ABC-transporter interaction--Recent advances and future challenges. Montanari F, Ecker GF. Adv Drug Deliv Rev 86 17-26 (2015)
  4. Structure, Assembly, and Function of Tripartite Efflux and Type 1 Secretion Systems in Gram-Negative Bacteria. Alav I, Kobylka J, Kuth MS, Pos KM, Picard M, Blair JMA, Bavro VN. Chem Rev 121 5479-5596 (2021)
  5. Molecular basis of the polyspecificity of P-glycoprotein (ABCB1): recent biochemical and structural studies. Chufan EE, Sim HM, Ambudkar SV. Adv Cancer Res 125 71-96 (2015)
  6. Multidrug Resistance in Mammals and Fungi-From MDR to PDR: A Rocky Road from Atomic Structures to Transport Mechanisms. Khunweeraphong N, Kuchler K. Int J Mol Sci 22 4806 (2021)
  7. Computational Dissection of Membrane Transport at a Microscopic Level. Jiang T, Wen PC, Trebesch N, Zhao Z, Pant S, Kapoor K, Shekhar M, Tajkhorshid E. Trends Biochem Sci 45 202-216 (2020)
  8. Drug Transporters in the Kidney: Perspectives on Species Differences, Disease Status, and Molecular Docking. Zou W, Shi B, Zeng T, Zhang Y, Huang B, Ouyang B, Cai Z, Liu M. Front Pharmacol 12 746208 (2021)
  9. The Bile Salt Export Pump: Molecular Structure, Study Models and Small-Molecule Drugs for the Treatment of Inherited BSEP Deficiencies. Sohail MI, Dönmez-Cakil Y, Szöllősi D, Stockner T, Chiba P. Int J Mol Sci 22 E784 (2021)
  10. Mamma Mia, P-glycoprotein binds again. Callaghan R, Gelissen IC, George AM, Hartz AMS. FEBS Lett 594 4076-4084 (2020)
  11. Emerging consensus on the mechanism of polyspecific substrate recognition by the multidrug transporter P-glycoprotein. Xia D, Zhou F, Esser L. Cancer Drug Resist 2 471-489 (2019)
  12. Hijacked then lost in translation: the plight of the recombinant host cell in membrane protein structural biology projects. Bill RM, von der Haar T. Curr Opin Struct Biol 32 147-155 (2015)
  13. P-glycoprotein (ABCB1) - weak dipolar interactions provide the key to understanding allocrite recognition, binding, and transport. Seelig A, Li-Blatter X. Cancer Drug Resist 6 1-29 (2023)
  14. Recent Advances on P-Glycoprotein (ABCB1) Transporter Modelling with In Silico Methods. Mora Lagares L, Novič M. Int J Mol Sci 23 14804 (2022)

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  1. Refined structures of mouse P-glycoprotein. Li J, Jaimes KF, Aller SG. Protein Sci 23 34-46 (2014)
  2. Structural insight into substrate and inhibitor discrimination by human P-glycoprotein. Alam A, Kowal J, Broude E, Roninson I, Locher KP. Science 363 753-756 (2019)
  3. Lipid-Protein Interactions Are Unique Fingerprints for Membrane Proteins. Corradi V, Mendez-Villuendas E, Ingólfsson HI, Gu RX, Siuda I, Melo MN, Moussatova A, DeGagné LJ, Sejdiu BI, Singh G, Wassenaar TA, Delgado Magnero K, Marrink SJ, Tieleman DP. ACS Cent Sci 4 709-717 (2018)
  4. Energy transduction and alternating access of the mammalian ABC transporter P-glycoprotein. Verhalen B, Dastvan R, Thangapandian S, Peskova Y, Koteiche HA, Nakamoto RK, Tajkhorshid E, Mchaourab HS. Nature 543 738-741 (2017)
  5. Structures of the Multidrug Transporter P-glycoprotein Reveal Asymmetric ATP Binding and the Mechanism of Polyspecificity. Esser L, Zhou F, Pluchino KM, Shiloach J, Ma J, Tang WK, Gutierrez C, Zhang A, Shukla S, Madigan JP, Zhou T, Kwong PD, Ambudkar SV, Gottesman MM, Xia D. J Biol Chem 292 446-461 (2017)
  6. Structure of a zosuquidar and UIC2-bound human-mouse chimeric ABCB1. Alam A, Küng R, Kowal J, McLeod RA, Tremp N, Broude EV, Roninson IB, Stahlberg H, Locher KP. Proc Natl Acad Sci U S A 115 E1973-E1982 (2018)
  7. Cryo-EM Analysis of the Conformational Landscape of Human P-glycoprotein (ABCB1) During its Catalytic Cycle. Frank GA, Shukla S, Rao P, Borgnia MJ, Bartesaghi A, Merk A, Mobin A, Esser L, Earl LA, Gottesman MM, Xia D, Ambudkar SV, Subramaniam S. Mol Pharmacol 90 35-41 (2016)
  8. Selonsertib (GS-4997), an ASK1 inhibitor, antagonizes multidrug resistance in ABCB1- and ABCG2-overexpressing cancer cells. Ji N, Yang Y, Cai CY, Lei ZN, Wang JQ, Gupta P, Shukla S, Ambudkar SV, Kong D, Chen ZS. Cancer Lett 440-441 82-93 (2019)
  9. Crystal structure of tripartite-type ABC transporter MacB from Acinetobacter baumannii. Okada U, Yamashita E, Neuberger A, Morimoto M, van Veen HW, Murakami S. Nat Commun 8 1336 (2017)
  10. Regorafenib overcomes chemotherapeutic multidrug resistance mediated by ABCB1 transporter in colorectal cancer: In vitro and in vivo study. Wang YJ, Zhang YK, Zhang GN, Al Rihani SB, Wei MN, Gupta P, Zhang XY, Shukla S, Ambudkar SV, Kaddoumi A, Shi Z, Chen ZS. Cancer Lett 396 145-154 (2017)
  11. Jump into a New Fold-A Homology Based Model for the ABCG2/BCRP Multidrug Transporter. László L, Sarkadi B, Hegedűs T. PLoS One 11 e0164426 (2016)
  12. VS-4718 Antagonizes Multidrug Resistance in ABCB1- and ABCG2-Overexpressing Cancer Cells by Inhibiting the Efflux Function of ABC Transporters. Ji N, Yang Y, Cai CY, Lei ZN, Wang JQ, Gupta P, Teng QX, Chen ZS, Kong D, Yang DH. Front Pharmacol 9 1236 (2018)
  13. Immuno-oncology agent IPI-549 is a modulator of P-glycoprotein (P-gp, MDR1, ABCB1)-mediated multidrug resistance (MDR) in cancer: In vitro and in vivo. De Vera AA, Gupta P, Lei Z, Liao D, Narayanan S, Teng Q, Reznik SE, Chen ZS. Cancer Lett 442 91-103 (2019)
  14. Osimertinib (AZD9291), a Mutant-Selective EGFR Inhibitor, Reverses ABCB1-Mediated Drug Resistance in Cancer Cells. Zhang XY, Zhang YK, Wang YJ, Gupta P, Zeng L, Xu M, Wang XQ, Yang DH, Chen ZS. Molecules 21 E1236 (2016)
  15. Equilibrated atomic models of outward-facing P-glycoprotein and effect of ATP binding on structural dynamics. Pan L, Aller SG. Sci Rep 5 7880 (2015)
  16. Tetrandrine Interaction with ABCB1 Reverses Multidrug Resistance in Cancer Cells Through Competition with Anti-Cancer Drugs Followed by Downregulation of ABCB1 Expression. Liao D, Zhang W, Gupta P, Lei ZN, Wang JQ, Cai CY, Vera AA, Zhang L, Chen ZS, Yang DH. Molecules 24 E4383 (2019)
  17. Midostaurin Reverses ABCB1-Mediated Multidrug Resistance, an in vitro Study. Ji N, Yang Y, Cai CY, Wang JQ, Lei ZN, Wu ZX, Cui Q, Yang DH, Chen ZS, Kong D. Front Oncol 9 514 (2019)
  18. Homology Modeling of the Human P-glycoprotein (ABCB1) and Insights into Ligand Binding through Molecular Docking Studies. Mora Lagares L, Minovski N, Caballero Alfonso AY, Benfenati E, Wellens S, Culot M, Gosselet F, Novič M. Int J Mol Sci 21 E4058 (2020)
  19. Mapping discontinuous epitopes for MRK-16, UIC2 and 4E3 antibodies to extracellular loops 1 and 4 of human P-glycoprotein. Vahedi S, Lusvarghi S, Pluchino K, Shafrir Y, Durell SR, Gottesman MM, Ambudkar SV. Sci Rep 8 12716 (2018)
  20. Coarse-grained molecular dynamics simulations reveal lipid access pathways in P-glycoprotein. Barreto-Ojeda E, Corradi V, Gu RX, Tieleman DP. J Gen Physiol 150 417-429 (2018)
  21. Transmembrane helix hydrophobicity is an energetic barrier during the retrotranslocation of integral membrane ERAD substrates. Guerriero CJ, Reutter KR, Augustine AA, Preston GM, Weiberth KF, Mackie TD, Cleveland-Rubeor HC, Bethel NP, Callenberg KM, Nakatsukasa K, Grabe M, Brodsky JL. Mol Biol Cell 28 2076-2090 (2017)
  22. Structural characterization of two metastable ATP-bound states of P-glycoprotein. O'Mara ML, Mark AE. PLoS One 9 e91916 (2014)
  23. Probing cholesterol binding and translocation in P-glycoprotein. Thangapandian S, Kapoor K, Tajkhorshid E. Biochim Biophys Acta Biomembr 1862 183090 (2020)
  24. Screening of Natural Compounds as P-Glycoprotein Inhibitors against Multidrug Resistance. Marques SM, Šupolíková L, Molčanová L, Šmejkal K, Bednar D, Slaninová I. Biomedicines 9 357 (2021)
  25. The reliability of molecular dynamics simulations of the multidrug transporter P-glycoprotein in a membrane environment. Condic-Jurkic K, Subramanian N, Mark AE, O'Mara ML. PLoS One 13 e0191882 (2018)
  26. Different structures of berberine and five other protoberberine alkaloids that affect P-glycoprotein-mediated efflux capacity. Zhang YT, Yu YQ, Yan XX, Wang WJ, Tian XT, Wang L, Zhu WL, Gong LK, Pan GY. Acta Pharmacol Sin 40 133-142 (2019)
  27. Dissecting the Forces that Dominate Dimerization of the Nucleotide Binding Domains of ABCB1. Szöllősi D, Szakács G, Chiba P, Stockner T. Biophys J 114 331-342 (2018)
  28. Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEP. Jain S, Grandits M, Richter L, Ecker GF. J Comput Aided Mol Des 31 507-521 (2017)
  29. Structure-Function Relationships in the Human P-Glycoprotein (ABCB1): Insights from Molecular Dynamics Simulations. Mora Lagares L, Pérez-Castillo Y, Minovski N, Novič M. Int J Mol Sci 23 362 (2021)
  30. In vivo FRET analyses reveal a role of ATP hydrolysis-associated conformational changes in human P-glycoprotein. Futamata R, Ogasawara F, Ichikawa T, Kodan A, Kimura Y, Kioka N, Ueda K. J Biol Chem 295 5002-5011 (2020)
  31. Differential Coupling of Binding, ATP Hydrolysis, and Transport of Fluorescent Probes with P-Glycoprotein in Lipid Nanodiscs. Li MJ, Nath A, Atkins WM. Biochemistry 56 2506-2517 (2017)
  32. The Blood-Brain Barrier Permeability of Six Indole Alkaloids from Uncariae Ramulus Cum Uncis in the MDCK-pHaMDR Cell Monolayer Model. Zhang YN, Yang YF, Xu W, Yang XW. Molecules 22 E1944 (2017)
  33. The conformation and dynamics of P-glycoprotein in a lipid bilayer investigated by atomic force microscopy. Sigdel KP, Wilt LA, Marsh BP, Roberts AG, King GM. Biochem Pharmacol 156 302-311 (2018)
  34. Active participation of membrane lipids in inhibition of multidrug transporter P-glycoprotein. Kapoor K, Pant S, Tajkhorshid E. Chem Sci 12 6293-6306 (2021)
  35. Theoretical insights on helix repacking as the origin of P-glycoprotein promiscuity. Bonito CA, Ferreira RJ, Ferreira MU, Gillet JP, Cordeiro MNDS, Dos Santos DJVA. Sci Rep 10 9823 (2020)
  36. Allosteric Role of Substrate Occupancy Toward the Alignment of P-glycoprotein Nucleotide Binding Domains. Pan L, Aller SG. Sci Rep 8 14643 (2018)
  37. Evolution of the Plasmodium vivax multidrug resistance 1 gene in the Greater Mekong Subregion during malaria elimination. Ngassa Mbenda HG, Wang M, Guo J, Siddiqui FA, Hu Y, Yang Z, Kittichai V, Sattabongkot J, Cao Y, Jiang L, Cui L. Parasit Vectors 13 67 (2020)
  38. Genetics and Molecular Modeling of New Mutations of Familial Intrahepatic Cholestasis in a Single Italian Center. Giovannoni I, Callea F, Bellacchio E, Torre G, De Ville De Goyet J, Francalanci P. PLoS One 10 e0145021 (2015)
  39. Molecular mechanisms involved in the side effects of fatty acid amide hydrolase inhibitors: a structural phenomics approach to proteome-wide cellular off-target deconvolution and disease association. Dider S, Ji J, Zhao Z, Xie L. NPJ Syst Biol Appl 2 16023 (2016)
  40. Multidrug resistance-associated protein 4 is a bile transporter of Clonorchis sinensis simulated by in silico docking. Dai F, Yoo WG, Lee JY, Lu Y, Pak JH, Sohn WM, Hong SJ. Parasit Vectors 10 578 (2017)
  41. The effects of anthracycline drugs on the conformational distribution of mouse P-glycoprotein explains their transport rate differences. Nguyen PH, Sigdel KP, Schaefer KG, Mensah GAK, King GM, Roberts AG. Biochem Pharmacol 174 113813 (2020)
  42. Cloning and Characterization of Aedes aegypti Trypsin Modulating Oostatic Factor (TMOF) Gut Receptor. Borovsky D, Deckers K, Vanhove AC, Verstraete M, Rougé P, Shatters RG, Powell CA. Biomolecules 11 934 (2021)
  43. Exploring the structure-activity relationships of ABCC2 modulators using a screening approach. Wissel G, Kudryavtsev P, Ghemtio L, Tammela P, Wipf P, Yliperttula M, Finel M, Urtti A, Kidron H, Xhaard H. Bioorg Med Chem 23 3513-3525 (2015)
  44. Identification of a Cryptic Bacterial Promoter in Mouse (mdr1a) P-Glycoprotein cDNA. Pluchino KM, Esposito D, Moen JK, Hall MD, Madigan JP, Shukla S, Procter LV, Wall VE, Schneider TD, Pringle I, Ambudkar SV, Gill DR, Hyde SC, Gottesman MM. PLoS One 10 e0136396 (2015)
  45. Search for ABCB1 Modulators Among 2-Amine-5-Arylideneimidazolones as a New Perspective to Overcome Cancer Multidrug Resistance. Kaczor A, Nové M, Kincses A, Spengler G, Spengler G, Szymańska E, Latacz G, Handzlik J. Molecules 25 E2258 (2020)
  46. The Structure and Mechanism of Drug Transporters. Roberts AG. Methods Mol Biol 2342 193-234 (2021)
  47. 5-Arylidenerhodanines as P-gp Modulators: An Interesting Effect of the Carboxyl Group on ABCB1 Function in Multidrug-Resistant Cancer Cells. Żesławska E, Tejchman W, Kincses A, Spengler G, Nitek W, Żuchowski G, Szymańska E. Int J Mol Sci 23 10812 (2022)
  48. Letter Co-existence of ABCB11 and DCDC2 disease: Infantile cholestasis requires both next-generation sequencing and clinical-histopathologic correlation. Vogel GF, Maurer E, Entenmann A, Straub S, Knisely AS, Janecke AR, Müller T. Eur J Hum Genet 28 840-844 (2020)
  49. Conversion of chemical to mechanical energy by the nucleotide binding domains of ABCB1. Szöllősi D, Chiba P, Szakacs G, Stockner T. Sci Rep 10 2589 (2020)
  50. Cross-linking, DEER-spectroscopy and molecular dynamics confirm the inward facing state of P-glycoprotein in a lipid membrane. Carey Hulyer AR, Briggs DA, O'Mara ML, Kerr ID, Harmer JR, Callaghan R. J Struct Biol 211 107513 (2020)
  51. Extended-ensemble docking to probe dynamic variation of ligand binding sites during large-scale structural changes of proteins. Kapoor K, Thangapandian S, Tajkhorshid E. Chem Sci 13 4150-4169 (2022)
  52. Identification and characterisation of putative drug binding sites in human ATP-binding cassette B5 (ABCB5) transporter. Tangella LP, Arooj M, Deplazes E, Gray ES, Mancera RL. Comput Struct Biotechnol J 19 691-704 (2021)
  53. Identification of Gedunin from a Phytochemical Depository as a Novel Multidrug Resistance-Bypassing Tubulin Inhibitor of Cancer Cells. Khalid SA, Dawood M, Boulos JC, Wasfi M, Drif A, Bahramimehr F, Shahhamzehei N, Shan L, Efferth T. Molecules 27 5858 (2022)
  54. Interaction of a Homologous Series of Amphiphiles with P-glycoprotein in a Membrane Environment-Contributions of Polar and Non-Polar Interactions. Moreno MJ, Filipe HAL, Cunha SVP, Ramos CV, Martins PAT, Abel B, Loura LMS, Ambudkar SV. Pharmaceutics 15 174 (2023)
  55. Interspecies comparison of putative ligand binding sites of human, rat and mouse P-glycoprotein. Jain S, Grandits M, Ecker GF. Eur J Pharm Sci 122 134-143 (2018)
  56. Analysis of P-Glycoprotein Transport Cycle Reveals a New Way to Identify Efflux Inhibitors. Grigoreva TA, Vorona SV, Novikova DS, Tribulovich VG. ACS Omega 7 42835-42844 (2022)
  57. Beauvericin potentiates the activity of pesticides by neutralizing the ATP-binding cassette transporters in arthropods. Al Khoury C, Nemer N, Nemer G. Sci Rep 11 10865 (2021)
  58. Evaluation of the Potency of Anti-HIV and Anti-HCV Drugs to Inhibit P-Glycoprotein Mediated Efflux of Digoxin in Caco-2 Cell Line and Human Precision-Cut Intestinal Slices. Huličiak M, Vokřál I, Holas O, Martinec O, Štaud F, Červený L. Pharmaceuticals (Basel) 15 242 (2022)
  59. The first intracellular loop is essential for the catalytic cycle of the human ABCG2 multidrug resistance transporter. Khunweeraphong N, Kuchler K. FEBS Lett 594 4059-4075 (2020)
  60. In Silico and In Vitro Identification of P-Glycoprotein Inhibitors from a Library of 375 Phytochemicals. Schäfer J, Klösgen VJ, Omer EA, Kadioglu O, Mbaveng AT, Kuete V, Hildebrandt A, Efferth T. Int J Mol Sci 24 10240 (2023)
  61. Relative profiling of L-tryptophan derivatives from selected edible mushrooms as psychoactive nutraceuticals to inhibit P-glycoprotein: a paradigm to contest blood-brain barrier. Margret AA, Mareeswari R, Arun Kumar K, Jerley AA. BioTechnologia (Pozn) 102 55-64 (2021)
  62. Green synthesis, anti-proliferative evaluation, docking, and MD simulations studies of novel 2-piperazinyl quinoxaline derivatives using hercynite sulfaguanidine-SA as a highly efficient and reusable nanocatalyst. Esam Z, Akhavan M, Mirshafa A, Bekhradnia A. RSC Adv 13 25229-25245 (2023)
  63. The Alternating Access Mechanism in Mammalian Multidrug Resistance Transporters and Their Bacterial Homologs. Badiee SA, Isu UH, Khodadadi E, Moradi M. Membranes (Basel) 13 568 (2023)


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  1. Mechanistic diversity in ATP-binding cassette (ABC) transporters. Locher KP. Nat Struct Mol Biol 23 487-493 (2016)
  2. Structure and mechanism of ABC transporters. Wilkens S. F1000Prime Rep 7 14 (2015)
  3. Emerging Diversity in Lipid-Protein Interactions. Corradi V, Sejdiu BI, Mesa-Galloso H, Abdizadeh H, Noskov SY, Marrink SJ, Tieleman DP. Chem Rev 119 5775-5848 (2019)
  4. Inhibit or Evade Multidrug Resistance P-Glycoprotein in Cancer Treatment. Waghray D, Zhang Q. J Med Chem 61 5108-5121 (2018)
  5. Perplexing Role of P-Glycoprotein in Tumor Microenvironment. Robinson K, Tiriveedhi V. Front Oncol 10 265 (2020)
  6. Comparison of mechanistic transport cycle models of ABC exporters. Szöllősi D, Rose-Sperling D, Hellmich UA, Stockner T. Biochim Biophys Acta Biomembr 1860 818-832 (2018)
  7. Structure and mechanism of ATP-dependent phospholipid transporters. López-Marqués RL, Poulsen LR, Bailly A, Geisler M, Pomorski TG, Palmgren MG. Biochim Biophys Acta 1850 461-475 (2015)
  8. Mechanics and pharmacology of substrate selection and transport by eukaryotic ABC exporters. Srikant S, Gaudet R. Nat Struct Mol Biol 26 792-801 (2019)
  9. Mechanism of Action of Ribosomally Synthesized and Post-Translationally Modified Peptides. Ongpipattanakul C, Desormeaux EK, DiCaprio A, van der Donk WA, Mitchell DA, Nair SK. Chem Rev 122 14722-14814 (2022)
  10. Cryo-electron microscopy structures and progress toward a dynamic understanding of KATP channels. Puljung MC. J Gen Physiol 150 653-669 (2018)
  11. Recent advances in the exploration of the bile salt export pump (BSEP/ABCB11) function. Telbisz Á, Homolya L. Expert Opin Ther Targets 20 501-514 (2016)
  12. Molecular modelling and molecular dynamics of CFTR. Callebaut I, Hoffmann B, Lehn P, Mornon JP. Cell Mol Life Sci 74 3-22 (2017)
  13. Efflux proteins at the blood-brain barrier: review and bioinformatics analysis. Saidijam M, Karimi Dermani F, Sohrabi S, Patching SG. Xenobiotica 48 506-532 (2018)
  14. Providing a molecular mechanism for P-glycoprotein; why would I bother? Callaghan R. Biochem Soc Trans 43 995-1002 (2015)
  15. Structures of ABC transporters: handle with care. Lewinson O, Orelle C, Seeger MA. FEBS Lett 594 3799-3814 (2020)
  16. The Nucleotide-Binding Sites of SUR1: A Mechanistic Model. Vedovato N, Ashcroft FM, Puljung MC. Biophys J 109 2452-2460 (2015)
  17. The role of the degenerate nucleotide binding site in type I ABC exporters. Stockner T, Gradisch R, Schmitt L. FEBS Lett 594 3815-3838 (2020)
  18. P-glycoprotein: new insights into structure, physiological function, regulation and alterations in disease. Ahmed Juvale II, Abdul Hamid AA, Abd Halim KB, Che Has AT. Heliyon 8 e09777 (2022)
  19. Ellagic Acid and Schisandrins: Natural Biaryl Polyphenols with Therapeutic Potential to Overcome Multidrug Resistance in Cancer. Yoganathan S, Alagaratnam A, Acharekar N, Kong J. Cells 10 458 (2021)
  20. Multidrug transporters: recent insights from cryo-electron microscopy-derived atomic structures and animal models. Lusvarghi S, Robey RW, Gottesman MM, Ambudkar SV. F1000Res 9 F1000 Faculty Rev-17 (2020)
  21. Schistosome ABC multidrug transporters: From pharmacology to physiology. Greenberg RM. Int J Parasitol Drugs Drug Resist 4 301-309 (2014)
  22. A Structural View on Medicinal Chemistry Strategies against Drug Resistance. Agnello S, Brand M, Chellat MF, Gazzola S, Riedl R. Angew Chem Int Ed Engl 58 3300-3345 (2019)
  23. ATP-binding Cassette Exporters: Structure and Mechanism with a Focus on P-glycoprotein and MRP1. Arana MR, Altenberg GA. Curr Med Chem 26 1062-1078 (2019)
  24. Biochemical studies on the structure-function relationship of major drug transporters in the ATP-binding cassette family and solute carrier family. Hong M. Adv Drug Deliv Rev 116 3-20 (2017)
  25. Recent advances in the search of BCRP- and dual P-gp/BCRP-based multidrug resistance modulators. Dei S, Braconi L, Romanelli MN, Teodori E. Cancer Drug Resist 2 710-743 (2019)
  26. In Silico Prediction of P-glycoprotein Binding: Insights from Molecular Docking Studies. Vilar S, Sobarzo-Sánchez E, Uriarte E. Curr Med Chem 26 1746-1760 (2019)
  27. Overexpression of membrane proteins from higher eukaryotes in yeasts. Emmerstorfer A, Wriessnegger T, Hirz M, Pichler H. Appl Microbiol Biotechnol 98 7671-7698 (2014)
  28. Running out of time: the decline of channel activity and nucleotide activation in adenosine triphosphate-sensitive K-channels. Proks P, Puljung MC, Vedovato N, Sachse G, Mulvaney R, Ashcroft FM. Philos Trans R Soc Lond B Biol Sci 371 20150426 (2016)
  29. Microscopic Characterization of Membrane Transporter Function by In Silico Modeling and Simulation. Vermaas JV, Trebesch N, Mayne CG, Thangapandian S, Shekhar M, Mahinthichaichan P, Baylon JL, Jiang T, Wang Y, Muller MP, Shinn E, Zhao Z, Wen PC, Tajkhorshid E. Methods Enzymol 578 373-428 (2016)
  30. The potential roles of retinoids in combating drug resistance in cancer: implications of ATP-binding cassette (ABC) transporters. Abdelaal MR, Haffez H. Open Biol 12 220001 (2022)
  31. Mechanistic kinetic modeling generates system-independent P-glycoprotein mediated transport elementary rate constants for inhibition and, in combination with 3D SIM microscopy, elucidates the importance of microvilli morphology on P-glycoprotein mediated efflux activity. Ellens H, Meng Z, Le Marchand SJ, Bentz J. Expert Opin Drug Metab Toxicol 14 571-584 (2018)
  32. How Cryo-EM Has Expanded Our Understanding of Membrane Transporters. Baril SA, Gose T, Schuetz JD. Drug Metab Dispos 51 904-922 (2023)

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  1. Structure of the human multidrug transporter ABCG2. Taylor NMI, Manolaridis I, Jackson SM, Kowal J, Stahlberg H, Locher KP. Nature 546 504-509 (2017)
  2. Structural Basis of Substrate Recognition by the Multidrug Resistance Protein MRP1. Johnson ZL, Chen J. Cell 168 1075-1085.e9 (2017)
  3. MemProtMD: Automated Insertion of Membrane Protein Structures into Explicit Lipid Membranes. Stansfeld PJ, Goose JE, Caffrey M, Carpenter EP, Parker JL, Newstead S, Sansom MS. Structure 23 1350-1361 (2015)
  4. Structure of a Pancreatic ATP-Sensitive Potassium Channel. Li N, Wu JX, Ding D, Cheng J, Gao N, Chen L. Cell 168 101-110.e10 (2017)
  5. Mechanism of allosteric modulation of P-glycoprotein by transport substrates and inhibitors. Dastvan R, Mishra S, Peskova YB, Nakamoto RK, Mchaourab HS. Science 364 689-692 (2019)
  6. Structural basis for allosteric cross-talk between the asymmetric nucleotide binding sites of a heterodimeric ABC exporter. Hohl M, Hürlimann LM, Böhm S, Schöppe J, Grütter MG, Bordignon E, Seeger MA. Proc Natl Acad Sci U S A 111 11025-11030 (2014)
  7. Drug-protein hydrogen bonds govern the inhibition of the ATP hydrolysis of the multidrug transporter P-glycoprotein. Chufan EE, Kapoor K, Ambudkar SV. Biochem Pharmacol 101 40-53 (2016)
  8. Trametinib modulates cancer multidrug resistance by targeting ABCB1 transporter. Qiu JG, Zhang YJ, Li Y, Zhao JM, Zhang WJ, Jiang QW, Mei XL, Xue YQ, Qin WM, Yang Y, Zheng DW, Chen Y, Wei MN, Shi Z. Oncotarget 6 15494-15509 (2015)
  9. Crystal structure and mechanistic basis of a functional homolog of the antigen transporter TAP. Nöll A, Thomas C, Herbring V, Zollmann T, Barth K, Mehdipour AR, Tomasiak TM, Brüchert S, Joseph B, Abele R, Oliéric V, Wang M, Diederichs K, Hummer G, Stroud RM, Pos KM, Tampé R. Proc Natl Acad Sci U S A 114 E438-E447 (2017)
  10. The Lipid Bilayer Modulates the Structure and Function of an ATP-binding Cassette Exporter. Zoghbi ME, Cooper RS, Altenberg GA. J Biol Chem 291 4453-4461 (2016)
  11. Bafetinib (INNO-406) reverses multidrug resistance by inhibiting the efflux function of ABCB1 and ABCG2 transporters. Zhang YK, Zhang GN, Wang YJ, Patel BA, Talele TT, Yang DH, Chen ZS. Sci Rep 6 25694 (2016)
  12. Cystic Fibrosis Transmembrane Conductance Regulator (CFTR): CLOSED AND OPEN STATE CHANNEL MODELS. Corradi V, Vergani P, Tieleman DP. J Biol Chem 290 22891-22906 (2015)
  13. Substrate-induced conformational changes in the nucleotide-binding domains of lipid bilayer-associated P-glycoprotein during ATP hydrolysis. Zoghbi ME, Mok L, Swartz DJ, Singh A, Fendley GA, Urbatsch IL, Altenberg GA. J Biol Chem 292 20412-20424 (2017)
  14. Exploring conformational equilibria of a heterodimeric ABC transporter. Timachi MH, Hutter CA, Hohl M, Assafa T, Böhm S, Mittal A, Seeger MA, Bordignon E. Elife 6 e20236 (2017)
  15. Motesanib (AMG706), a potent multikinase inhibitor, antagonizes multidrug resistance by inhibiting the efflux activity of the ABCB1. Wang YJ, Kathawala RJ, Zhang YK, Patel A, Kumar P, Shukla S, Fung KL, Ambudkar SV, Talele TT, Chen ZS. Biochem Pharmacol 90 367-378 (2014)
  16. Screening dietary flavonoids for the reversal of P-glycoprotein-mediated multidrug resistance in cancer. Mohana S, Ganesan M, Agilan B, Karthikeyan R, Srithar G, Beaulah Mary R, Ananthakrishnan D, Velmurugan D, Rajendra Prasad N, Ambudkar SV. Mol Biosyst 12 2458-2470 (2016)
  17. Effects of a detergent micelle environment on P-glycoprotein (ABCB1)-ligand interactions. Shukla S, Abel B, Chufan EE, Ambudkar SV. J Biol Chem 292 7066-7076 (2017)
  18. Multiple Drug Transport Pathways through Human P-Glycoprotein. McCormick JW, Vogel PD, Wise JG. Biochemistry 54 4374-4390 (2015)
  19. Tariquidar inhibits P-glycoprotein drug efflux but activates ATPase activity by blocking transition to an open conformation. Loo TW, Clarke DM. Biochem Pharmacol 92 558-566 (2014)
  20. A single active catalytic site is sufficient to promote transport in P-glycoprotein. Bársony O, Szalóki G, Türk D, Tarapcsák S, Gutay-Tóth Z, Bacsó Z, Holb IJ, Székvölgyi L, Szabó G, Csanády L, Szakács G, Goda K. Sci Rep 6 24810 (2016)
  21. Coupled ATPase-adenylate kinase activity in ABC transporters. Kaur H, Lakatos-Karoly A, Vogel R, Nöll A, Tampé R, Glaubitz C. Nat Commun 7 13864 (2016)
  22. The Heterodimeric ABC Transporter EfrCD Mediates Multidrug Efflux in Enterococcus faecalis. Hürlimann LM, Corradi V, Hohl M, Bloemberg GV, Tieleman DP, Seeger MA. Antimicrob Agents Chemother 60 5400-5411 (2016)
  23. Semi-synthetic ocotillol analogues as selective ABCB1-mediated drug resistance reversal agents. Zhang YK, Zhang H, Zhang GN, Wang YJ, Kathawala RJ, Si R, Patel BA, Xu J, Chen ZS. Oncotarget 6 24277-24290 (2015)
  24. Mapping the Binding Site of the Inhibitor Tariquidar That Stabilizes the First Transmembrane Domain of P-glycoprotein. Loo TW, Clarke DM. J Biol Chem 290 29389-29401 (2015)
  25. Computational predictive models for P-glycoprotein inhibition of in-house chalcone derivatives and drug-bank compounds. Ngo TD, Tran TD, Le MT, Thai KM. Mol Divers 20 945-961 (2016)
  26. The role of multidrug resistance protein (MRP-1) as an active efflux transporter on blood-brain barrier (BBB) permeability. Lingineni K, Belekar V, Tangadpalliwar SR, Garg P. Mol Divers 21 355-365 (2017)
  27. In silico analysis of the binding of anthelmintics to Caenorhabditis elegansP-glycoprotein 1. David MA, Orlowski S, Prichard RK, Hashem S, André F, Lespine A. Int J Parasitol Drugs Drug Resist 6 299-313 (2016)
  28. The roles of the human ATP-binding cassette transporters P-glycoprotein and ABCG2 in multidrug resistance in cancer and at endogenous sites: future opportunities for structure-based drug design of inhibitors. Goebel J, Chmielewski J, Hrycyna CA. Cancer Drug Resist 4 784-804 (2021)
  29. Global alteration of the drug-binding pocket of human P-glycoprotein (ABCB1) by substitution of fifteen conserved residues reveals a negative correlation between substrate size and transport efficiency. Vahedi S, Chufan EE, Ambudkar SV. Biochem Pharmacol 143 53-64 (2017)
  30. Design and synthesis of human ABCB1 (P-glycoprotein) inhibitors by peptide coupling of diverse chemical scaffolds on carboxyl and amino termini of (S)-valine-derived thiazole amino acid. Singh S, Prasad NR, Chufan EE, Patel BA, Wang YJ, Chen ZS, Ambudkar SV, Talele TT. J Med Chem 57 4058-4072 (2014)
  31. Glesatinib, a c-MET/SMO Dual Inhibitor, Antagonizes P-glycoprotein Mediated Multidrug Resistance in Cancer Cells. Cui Q, Cai CY, Gao HL, Ren L, Ji N, Gupta P, Yang Y, Shukla S, Ambudkar SV, Yang DH, Chen ZS. Front Oncol 9 313 (2019)
  32. Novel features in the structure of P-glycoprotein (ABCB1) in the post-hydrolytic state as determined at 7.9 Å resolution. Thonghin N, Collins RF, Barbieri A, Shafi T, Siebert A, Ford RC. BMC Struct Biol 18 17 (2018)
  33. Macrocyclic lactones differ in interaction with recombinant P-glycoprotein 9 of the parasitic nematode Cylicocylus elongatus and ketoconazole in a yeast growth assay. Kaschny M, Demeler J, Janssen IJ, Kuzmina TA, Besognet B, Kanellos T, Kerboeuf D, von Samson-Himmelstjerna G, Krücken J. PLoS Pathog 11 e1004781 (2015)
  34. Residues contributing to drug transport by ABCG2 are localised to multiple drug-binding pockets. Cox MH, Kapoor P, Briggs DA, Kerr ID. Biochem J 475 1553-1567 (2018)
  35. The BTK Inhibitor Ibrutinib (PCI-32765) Overcomes Paclitaxel Resistance in ABCB1- and ABCC10-Overexpressing Cells and Tumors. Zhang H, Patel A, Wang YJ, Zhang YK, Kathawala RJ, Qiu LH, Patel BA, Huang LH, Shukla S, Yang DH, Ambudkar SV, Fu LW, Chen ZS. Mol Cancer Ther 16 1021-1030 (2017)
  36. Colchicine derivatives with potent anticancer activity and reduced P-glycoprotein induction liability. Singh B, Kumar A, Joshi P, Guru SK, Kumar S, Wani ZA, Mahajan G, Hussain A, Qazi AK, Kumar A, Bharate SS, Gupta BD, Sharma PR, Hamid A, Saxena AK, Mondhe DM, Bhushan S, Bharate SB, Vishwakarma RA. Org Biomol Chem 13 5674-5689 (2015)
  37. Newly Synthesized Oxygenated Xanthones as Potential P-Glycoprotein Activators: In Vitro, Ex Vivo, and In Silico Studies. Martins E, Silva V, Lemos A, Palmeira A, Puthongking P, Sousa E, Rocha-Pereira C, Ghanem CI, Carmo H, Remião F, Silva R. Molecules 24 E707 (2019)
  38. Structural definition of polyspecific compensatory ligand recognition by P-glycoprotein. Le CA, Harvey DS, Aller SG. IUCrJ 7 663-672 (2020)
  39. Sapitinib Reverses Anticancer Drug Resistance in Colon Cancer Cells Overexpressing the ABCB1 Transporter. Gao HL, Gupta P, Cui Q, Ashar YV, Wu ZX, Zeng L, Lei ZN, Teng QX, Ashby CR, Guan Y, Chen ZS. Front Oncol 10 574861 (2020)
  40. Esters of the marine-derived triterpene sipholenol A reverse P-GP-mediated drug resistance. Zhang Y, Zhang YK, Wang YJ, Vispute SG, Jain S, Chen Y, Li J, Youssef DT, El Sayed KA, Chen ZS. Mar Drugs 13 2267-2286 (2015)
  41. FK506 Resistance of Saccharomyces cerevisiae Pdr5 and Candida albicans Cdr1 Involves Mutations in the Transmembrane Domains and Extracellular Loops. Tanabe K, Bonus M, Tomiyama S, Miyoshi K, Nagi M, Niimi K, Chindamporn A, Gohlke H, Schmitt L, Cannon RD, Niimi M, Lamping E. Antimicrob Agents Chemother 63 e01146-18 (2019)
  42. Identification of the distance between the homologous halves of P-glycoprotein that triggers the high/low ATPase activity switch. Loo TW, Clarke DM. J Biol Chem 289 8484-8492 (2014)
  43. Positioning of extracellular loop 1 affects pore gating of the cystic fibrosis transmembrane conductance regulator. Infield DT, Cui G, Kuang C, McCarty NA. Am J Physiol Lung Cell Mol Physiol 310 L403-14 (2016)
  44. The Transmission Interfaces Contribute Asymmetrically to the Assembly and Activity of Human P-glycoprotein. Loo TW, Clarke DM. J Biol Chem 290 16954-16963 (2015)
  45. Unidirectional Transport Mechanism in an ATP Dependent Exporter. Xu Y, Seelig A, Bernèche S. ACS Cent Sci 3 250-258 (2017)
  46. Ensartinib (X-396) Effectively Modulates Pharmacokinetic Resistance Mediated by ABCB1 and ABCG2 Drug Efflux Transporters and CYP3A4 Biotransformation Enzyme. Vagiannis D, Novotna E, Skarka A, Kammerer S, Küpper JH, Chen S, Guo L, Staud F, Hofman J. Cancers (Basel) 12 E813 (2020)
  47. Wallichinine reverses ABCB1-mediated cancer multidrug resistance. Lv M, Qiu JG, Zhang WJ, Jiang QW, Qin WM, Yang Y, Zheng DW, Chen Y, Huang JR, Wang K, Wei MN, Cheng KJ, Shi Z. Am J Transl Res 8 2969-2980 (2016)
  48. Antimicrobial Activity of a Library of Thioxanthones and Their Potential as Efflux Pump Inhibitors. Durães F, Palmeira A, Cruz B, Freitas-Silva J, Szemerédi N, Gales L, da Costa PM, Remião F, Silva R, Pinto M, Spengler G, Sousa E. Pharmaceuticals (Basel) 14 572 (2021)
  49. In silico screening for inhibitors of p-glycoprotein that target the nucleotide binding domains. Brewer FK, Follit CA, Vogel PD, Wise JG. Mol Pharmacol 86 716-726 (2014)
  50. Structural model, functional modulation by ivermectin and tissue localization of Haemonchus contortus P-glycoprotein-13. David M, Lebrun C, Duguet T, Talmont F, Beech R, Orlowski S, André F, Prichard RK, Lespine A. Int J Parasitol Drugs Drug Resist 8 145-157 (2018)
  51. CEP-33779 antagonizes ATP-binding cassette subfamily B member 1 mediated multidrug resistance by inhibiting its transport function. Tang SJ, Chen LK, Wang F, Zhang YK, Huang ZC, To KK, Wang XK, Talele TT, Chen ZS, Chen WQ, Fu LW. Biochem Pharmacol 91 144-156 (2014)
  52. Evidence for the critical role of transmembrane helices 1 and 7 in substrate transport by human P-glycoprotein (ABCB1). Sajid A, Lusvarghi S, Chufan EE, Ambudkar SV. PLoS One 13 e0204693 (2018)
  53. Human-Mouse Chimeras with Normal Expression and Function Reveal That Major Domain Swapping Is Tolerated by P-Glycoprotein (ABCB1). Pluchino KM, Hall MD, Moen JK, Chufan EE, Fetsch PA, Shukla S, Gill DR, Hyde SC, Xia D, Ambudkar SV, Gottesman MM. Biochemistry 55 1010-1023 (2016)
  54. Interactions and cooperativity between P-glycoprotein structural domains determined by thermal unfolding provides insights into its solution structure and function. Yang Z, Zhou Q, Mok L, Singh A, Swartz DJ, Urbatsch IL, Brouillette CG. Biochim Biophys Acta Biomembr 1859 48-60 (2017)
  55. Prediction and characterization of P-glycoprotein substrates potentially bound to different sites by emerging chemical pattern and hierarchical cluster analysis. Pan X, Mei H, Qu S, Huang S, Sun J, Yang L, Chen H. Int J Pharm 502 61-69 (2016)
  56. Structural elucidation of transmembrane domain zero (TMD0) of EcdL: A multidrug resistance-associated protein (MRP) family of ATP-binding cassette transporter protein revealed by atomistic simulation. Bera K, Rani P, Kishor G, Agarwal S, Kumar A, Singh DV. J Biomol Struct Dyn 36 2938-2950 (2018)
  57. Use of Functional Polymorphisms To Elucidate the Peptide Binding Site of TAP Complexes. Geng J, Pogozheva ID, Mosberg HI, Raghavan M. J Immunol 195 3436-3448 (2015)
  58. Attachment of a 'molecular spring' restores drug-stimulated ATPase activity to P-glycoprotein lacking both Q loop glutamines. Loo TW, Clarke DM. Biochem Biophys Res Commun 483 366-370 (2017)
  59. Interaction of P-glycoprotein with anti-tumor drugs: the site, gate and pathway. Zhang J, Li D, Sun T, Liang L, Wang Q. Soft Matter 11 6633-6641 (2015)
  60. Interactions of Alectinib with Human ATP-Binding Cassette Drug Efflux Transporters and Cytochrome P450 Biotransformation Enzymes: Effect on Pharmacokinetic Multidrug Resistance. Hofman J, Sorf A, Vagiannis D, Sucha S, Novotna E, Kammerer S, Küpper JH, Ceckova M, Staud F. Drug Metab Dispos 47 699-709 (2019)
  61. Investigation of the effects of the CFTR potentiator ivacaftor on human P-glycoprotein (ABCB1). Lingam S, Lingam S, Thonghin N, Ford RC. Sci Rep 7 17481 (2017)
  62. Predictive Structure and Topology of Peroxisomal ATP-Binding Cassette (ABC) Transporters. Andreoletti P, Raas Q, Gondcaille C, Cherkaoui-Malki M, Trompier D, Savary S. Int J Mol Sci 18 E1593 (2017)
  63. Protein functional dynamics from the rigorous global analysis of DEER data: Conditions, components, and conformations. Hustedt EJ, Stein RA, Mchaourab HS. J Gen Physiol 153 e201711954 (2021)
  64. Split tasks of asymmetric nucleotide-binding sites in the heterodimeric ABC exporter EfrCD. Hürlimann LM, Hohl M, Seeger MA. FEBS J 284 1672-1687 (2017)
  65. The epigallocatechin gallate derivative Y6 reverses drug resistance mediated by the ABCB1 transporter both in vitro and in vivo. Wen Y, Zhao R, Gupta P, Fan Y, Zhang Y, Huang Z, Li X, Su Y, Liao L, Xie YA, Yang D, Chen ZS, Liang G. Acta Pharm Sin B 9 316-323 (2019)
  66. A Conformationally Gated Model of Methadone and Loperamide Transport by P-Glycoprotein. Gibbs ME, Wilt LA, Ledwitch KV, Roberts AG. J Pharm Sci 107 1937-1947 (2018)
  67. Characterizing the binding interactions between P-glycoprotein and eight known cardiovascular transport substrates. Jagodinsky JC, Akgun U. Pharmacol Res Perspect 3 e00114 (2015)
  68. Convallatoxin: a new P-glycoprotein substrate. Gozalpour E, Greupink R, Bilos A, Verweij V, van den Heuvel JJ, Masereeuw R, Russel FG, Koenderink JB. Eur J Pharmacol 744 18-27 (2014)
  69. Derivation of a System-Independent Ki for P-glycoprotein Mediated Digoxin Transport from System-Dependent IC50 Data. Chaudhry A, Chung G, Lynn A, Yalvigi A, Brown C, Ellens H, O'Connor M, Lee C, Bentz J. Drug Metab Dispos 46 279-290 (2018)
  70. Insights Into the Molecular Mechanism of Triptan Transport by P-glycoprotein. Wilt LA, Nguyen D, Roberts AG. J Pharm Sci 106 1670-1679 (2017)
  71. Ovarian cancer cells cisplatin sensitization agents selected by mass cytometry target ABCC2 inhibition. Comsa E, Nguyen KA, Loghin F, Boumendjel A, Peuchmaur M, Andrieu T, Falson P. Future Med Chem 10 1349-1360 (2018)
  72. 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. Loo TW, Clarke DM. J Biol Chem 289 24749-24758 (2014)
  73. Extrapolation of Elementary Rate Constants of P-glycoprotein-Mediated Transport from MDCKII-hMDR1-NKI to Caco-2 Cells. Meng Z, Ellens H, Bentz J. Drug Metab Dispos 45 190-197 (2017)
  74. In silico and in vitro identification of secoisolariciresinol as a re-sensitizer of P-glycoprotein-dependent doxorubicin-resistance NCI/ADR-RES cancer cells. Morsy MA, El-Sheikh AAK, Ibrahim ARN, Venugopala KN, Kandeel M. PeerJ 8 e9163 (2020)
  75. Structure of ABCB1/P-Glycoprotein in the Presence of the CFTR Potentiator Ivacaftor. Barbieri A, Thonghin N, Shafi T, Prince SM, Collins RF, Ford RC. Membranes (Basel) 11 923 (2021)
  76. A structure-activity relationship study of ABCC2 inhibitors. Wissel G, Deng F, Kudryavtsev P, Ghemtio L, Wipf P, Xhaard H, Kidron H. Eur J Pharm Sci 103 60-69 (2017)
  77. Sequences in Linker-1 domain of the multidrug resistance associated protein (MRP1 or ABCC1) bind to tubulin and their binding is modulated by phosphorylation. Ambadipudi R, Georges E. Biochem Biophys Res Commun 482 1001-1006 (2017)
  78. Bufalin reverses ABCB1-mediated resistance to docetaxel in breast cancer. Zhang D, Jia T, Chen X, Jiang H, Guo T, Dong J, Zeng H, Wang Y, Yuan Y. Heliyon 9 e13840 (2023)
  79. Conformational changes in a multidrug resistance ABC transporter DrrAB: Fluorescence-based approaches to study substrate binding. Rahman SJ, Kaur P. Arch Biochem Biophys 658 31-45 (2018)
  80. Discovery of substituted 1,4-dihydroquinolines as novel class of ABCB1 modulators. Hemmer M, Krawczyk S, Simon I, Lage H, Hilgeroth A. Bioorg Med Chem 23 5015-5021 (2015)
  81. Do adsorbed drugs onto P-glycoprotein influence its efflux capability? Ferreira RJ, Ferreira MJ, dos Santos DJ. Phys Chem Chem Phys 17 22023-22034 (2015)
  82. Does the ATP-bound EQ mutant reflect the pre- or post-ATP hydrolysis state in the catalytic cycle of human P-glycoprotein (ABCB1)? Lusvarghi S, Durell SR, Ambudkar SV. FEBS Lett 595 750-762 (2021)
  83. Exome Sequencing of ABCB5 Identifies Recurrent Melanoma Mutations that Result in Increased Proliferative and Invasive Capacities. Sana G, Madigan JP, Gartner JJ, Fourrez M, Lin J, Qutob N, Narayan J, Shukla S, Ambudkar SV, Xia D, Rosenberg SA, Gottesman MM, Samuels Y, Gillet JP. J Invest Dermatol 139 1985-1992.e10 (2019)
  84. Optimizing Targeted Inhibitors of P-Glycoprotein Using Computational and Structure-Guided Approaches. Wise JG, Nanayakkara AK, Aljowni M, Chen G, De Oliveira MC, Ammerman L, Olengue K, Lippert AR, Vogel PD. J Med Chem 62 10645-10663 (2019)
  85. Thiol-reactive drug substrates of human P-glycoprotein label the same sites to activate ATPase activity in membranes or dodecyl maltoside detergent micelles. Loo TW, Clarke DM. Biochem Biophys Res Commun 488 573-577 (2017)
  86. An Energetically Favorable Ligand Entrance Gate of a Multidrug Transporter Revealed by Partial Nudged Elastic Band Simulations. Xing J, Mei H, Huang S, Zhang D, Pan X. Comput Struct Biotechnol J 17 319-323 (2019)
  87. Conformational changes in the yeast mitochondrial ABC transporter Atm1 during the transport cycle. Ellinghaus TL, Marcellino T, Srinivasan V, Lill R, Kühlbrandt W. Sci Adv 7 eabk2392 (2021)
  88. Polymorphism in ABC transporter genes of Dirofilaria immitis. Mani T, Bourguinat C, Prichard RK. Int J Parasitol Drugs Drug Resist 7 227-235 (2017)
  89. The crystal structure of the CmABCB1 G132V mutant, which favors the outward-facing state, reveals the mechanism of the pivotal joint between TM1 and TM3. Matsuoka K, Nakatsu T, Kato H. Protein Sci 30 1064-1071 (2021)
  90. New structural insights into the gating movements of CFTR. Puljung MC. J Gen Physiol 145 365-369 (2015)
  91. Residues from Homologous Transmembrane Helices 4 and 10 Are Critical for P-Glycoprotein (ABCB1)-Mediated Drug Transport. Rahman H, Ware MJ, Sajid A, Lusvarghi S, Durell SR, Ambudkar SV. Cancers (Basel) 15 3459 (2023)
  92. Structure-based alteration of tryptophan residues of the multidrug transporter CmABCB1 to assess substrate binding using fluorescence spectroscopy. Inoue Y, Yamaguchi T, Otsuka T, Utsunomiya Y, Pan D, Ogawa H, Kato H. Protein Sci 31 e4331 (2022)
  93. Allosteric effects of ATP binding on the nucleotide-binding domain of a heterodimeric ATP-binding cassette transporter. Pan X, Zhang Q, Qu S, Huang S, Wang H, Mei H. Integr Biol (Camb) 8 1158-1169 (2016)
  94. Drug-Induced Conformational Dynamics of P-Glycoprotein Underlies the Transport of Camptothecin Analogs. Mensah GAK, Schaefer KG, Bartlett MG, Roberts AG, King GM. Int J Mol Sci 24 16058 (2023)
  95. Empowering pharmacoinformatics by linked life science data. Goldmann D, Zdrazil B, Digles D, Ecker GF. J Comput Aided Mol Des 31 319-328 (2017)
  96. Triterpenoids from Aglaia abbreviata exert cytotoxicity and multidrug resistant reversal effect in MCF-7/ADM cells via reactive oxygen species induction and P-glycoprotein inhibition. Cen J, Zheng B, Bai R, Zhang L, Zhang F, Zhang X. Oncotarget 8 69465-69476 (2017)
  97. Yeast as a tool for membrane protein production and structure determination. Carlesso A, Delgado R, Ruiz Isant O, Uwangue O, Valli D, Bill RM, Hedfalk K. FEMS Yeast Res 22 foac047 (2022)


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