PDBsum entry 3g61

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Membrane protein PDB id
Protein chains
1182 a.a. *
2J8 ×4
* Residue conservation analysis
PDB id:
Name: Membrane protein
Title: Structure of p-glycoprotein reveals a molecular basis for po specific drug binding
Structure: Multidrug resistance protein 1a. Chain: a, b. Synonym: mcg1178. Engineered: yes
Source: Mus musculus. Mouse. Organism_taxid: 10090. Gene: abcb1a, mcg_1178
4.35Å     R-factor:   0.308     R-free:   0.356
Authors: S.G.Aller,J.Yu,A.Ward,Y.Weng,S.Chittaboina,R.Zhuo,P.M.Harrel Y.T.Trinh,Q.Zhang,I.L.Urbatsch,G.Chang
Key ref:
S.G.Aller et al. (2009). Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding. Science, 323, 1718-1722. PubMed id: 19325113 DOI: 10.1126/science.1168750
05-Feb-09     Release date:   24-Mar-09    
Go to PROCHECK summary

Protein chains
Pfam   ArchSchema ?
P21447  (MDR1A_MOUSE) -  Multidrug resistance protein 1A
1276 a.a.
1182 a.a.
Key:    PfamA domain  Secondary structure

 Enzyme reactions 
   Enzyme class: E.C.  - Xenobiotic-transporting ATPase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: ATP + H2O + xenobiotic(In) = ADP + phosphate + xenobiotic(Out)
+ H(2)O
+ xenobiotic(In)
+ phosphate
+ xenobiotic(Out)
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     membrane   4 terms 
  Biological process     metabolic process   15 terms 
  Biochemical function     nucleotide binding     8 terms  


DOI no: 10.1126/science.1168750 Science 323:1718-1722 (2009)
PubMed id: 19325113  
Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding.
S.G.Aller, J.Yu, A.Ward, Y.Weng, S.Chittaboina, R.Zhuo, P.M.Harrell, Y.T.Trinh, Q.Zhang, I.L.Urbatsch, G.Chang.
P-glycoprotein (P-gp) detoxifies cells by exporting hundreds of chemically unrelated toxins but has been implicated in multidrug resistance (MDR) in the treatment of cancers. Substrate promiscuity is a hallmark of P-gp activity, thus a structural description of poly-specific drug-binding is important for the rational design of anticancer drugs and MDR inhibitors. The x-ray structure of apo P-gp at 3.8 angstroms reveals an internal cavity of approximately 6000 angstroms cubed with a 30 angstrom separation of the two nucleotide-binding domains. Two additional P-gp structures with cyclic peptide inhibitors demonstrate distinct drug-binding sites in the internal cavity capable of stereoselectivity that is based on hydrophobic and aromatic interactions. Apo and drug-bound P-gp structures have portals open to the cytoplasm and the inner leaflet of the lipid bilayer for drug entry. The inward-facing conformation represents an initial stage of the transport cycle that is competent for drug binding.
  Selected figure(s)  
Figure 1.
Fig. 1. Structure of P-gp. (A) Front and (B) back stereo views of PGP. TMs 1 to 12 are labeled. The N- and C-terminal half of the molecule is colored yellow and blue, respectively. TMs 4 and 5 and TMs 10 and 11 crossover to form intertwined interfaces that stabilize the inward-facing conformation. Horizontal bars represent the approximate positioning of the lipid bilayer. The N- and C-termini are labeled in (A). TM domains and NBDs are also labeled.
Figure 4.
Fig. 4. Model of substrate transport by P-gp. (A) Substrate (magenta) partitions into the bilayer from outside of the cell to the inner leaflet and enters the internal drug-binding pocket through an open portal. The residues in the drug-binding pocket (cyan spheres) interact with QZ59 compounds and verapamil in the inward-facing conformation. (B) ATP (yellow) binds to the NBDs causing a large conformational change presenting the substrate and drug-binding site(s) to the outer leaflet and/or extracellular space. In this model of P-gp, which is based on the outward-facing conformation of MsbA and Sav1866 (13, 14), exit of the substrate to the inner leaflet is sterically occluded, which provides unidirectional transport to the outside.
  The above figures are reprinted from an Open Access publication published by the AAAs: Science (2009, 323, 1718-1722) copyright 2009.  
  Figures were selected by the author.  

Literature references that cite this PDB file's key reference

  PubMed id Reference
22447242 M.Hohl, C.Briand, M.G.Grütter, and M.A.Seeger (2012).
Crystal structure of a heterodimeric ABC transporter in its inward-facing conformation.
  Nat Struct Mol Biol, 19, 395-402.
PDB code: 3qf4
23000902 M.S.Jin, M.L.Oldham, Q.Zhang, and J.Chen (2012).
Crystal structure of the multidrug transporter P-glycoprotein from Caenorhabditis elegans.
  Nature, 490, 566-569.
PDB code: 4f4c
  21488101 A.S.Oliveira, A.M.Baptista, and C.M.Soares (2011).
Conformational changes induced by ATP-hydrolysis in an ABC transporter: A molecular dynamics study of the Sav1866 exporter.
  Proteins, 79, 1977-1990.  
21833026 B.A.Webb, M.Chimenti, M.P.Jacobson, and D.L.Barber (2011).
Dysregulated pH: a perfect storm for cancer progression.
  Nat Rev Cancer, 11, 671-677.  
21275046 E.Noy, and H.Senderowitz (2011).
Combating cystic fibrosis: in search for CF transmembrane conductance regulator (CFTR) modulators.
  ChemMedChem, 6, 243-251.  
21384018 F.Mendes, A.Paulo, and I.Santos (2011).
Metalloprobes for functional monitoring of tumour multidrug resistance by nuclear imaging.
  Dalton Trans, 40, 5377-5393.  
21706007 G.B.Erkens, R.P.Berntsson, F.Fulyani, M.Majsnerowska, A.Vujičić-Žagar, J.Ter Beek, B.Poolman, and D.J.Slotboom (2011).
The structural basis of modularity in ECF-type ABC transporters.
  Nat Struct Mol Biol, 18, 755-760.
PDB code: 3rlb
21296766 H.Sui, S.Zhou, Y.Wang, X.Liu, L.Zhou, P.Yin, Z.Fan, and Q.Li (2011).
COX-2 contributes to P-glycoprotein-mediated multidrug resistance via phosphorylation of c-Jun at Ser63/73 in colorectal cancer.
  Carcinogenesis, 32, 667-675.  
  21387512 H.Tao, Y.Weng, R.Zhuo, G.Chang, I.L.Urbatsch, and Q.Zhang (2011).
Design and synthesis of Selenazole-containing peptides for cocrystallization with P-glycoprotein.
  Chembiochem, 12, 868-873.  
21173990 I.Jabeen, P.Wetwitayaklung, F.Klepsch, Z.Parveen, P.Chiba, and G.F.Ecker (2011).
Probing the stereoselectivity of P-glycoprotein-synthesis, biological activity and ligand docking studies of a set of enantiopure benzopyrano[3,4-b][1,4]oxazines.
  Chem Commun (Camb), 47, 2586-2588.  
21264225 K.M.Peters, B.E.Brooks, M.A.Schumacher, R.A.Skurray, R.G.Brennan, and M.H.Brown (2011).
A single acidic residue can guide binding site selection but does not govern QacR cationic-drug affinity.
  PLoS One, 6, e15974.
PDB code: 3pm1
21389634 K.Ueda (2011).
ABC proteins protect the human body and maintain optimal health.
  Biosci Biotechnol Biochem, 75, 401-409.  
21478852 R.M.Bill, P.J.Henderson, S.Iwata, E.R.Kunji, H.Michel, R.Neutze, S.Newstead, B.Poolman, C.G.Tate, and H.Vogel (2011).
Overcoming barriers to membrane protein structure determination.
  Nat Biotechnol, 29, 335-340.  
21483854 R.Matar-Merheb, M.Rhimi, A.Leydier, F.Huché, C.Galián, E.Desuzinges-Mandon, D.Ficheux, D.Flot, N.Aghajari, R.Kahn, A.Di Pietro, J.M.Jault, A.W.Coleman, and P.Falson (2011).
Structuring detergents for extracting and stabilizing functional membrane proteins.
  PLoS One, 6, e18036.  
21194365 R.P.Gupta, P.Kueppers, L.Schmitt, and R.Ernst (2011).
The multidrug transporter Pdr5: a molecular diode?
  Biol Chem, 392, 53-60.  
21392495 R.Zaja, J.Lončar, M.Popovic, and T.Smital (2011).
First characterization of fish P-glycoprotein (abcb1) substrate specificity using determinations of its ATPase activity and calcein-AM assay with PLHC-1/dox cell line.
  Aquat Toxicol, 103, 53-62.  
21229388 X.Xu, J.Fu, H.Wang, B.Zhang, X.Wang, and Y.Wang (2011).
Influence of P-glycoprotein on embryotoxicity of the antifouling biocides to sea urchin (Strongylocentrotus intermedius).
  Ecotoxicology, 20, 419-428.  
21483731 Y.C.Fiamegos, P.L.Kastritis, V.Exarchou, H.Han, A.M.Bonvin, J.Vervoort, K.Lewis, M.R.Hamblin, and G.P.Tegos (2011).
Antimicrobial and efflux pump inhibitory activity of caffeoylquinic acids from Artemisia absinthium against gram-positive pathogenic bacteria.
  PLoS One, 6, e18127.  
21246256 Y.Fan, L.Shi, V.Ladizhansky, and L.S.Brown (2011).
Uniform isotope labeling of a eukaryotic seven-transmembrane helical protein in yeast enables high-resolution solid-state NMR studies in the lipid environment.
  J Biomol NMR, 49, 151-161.  
21220112 Y.Sonoda, S.Newstead, N.J.Hu, Y.Alguel, E.Nji, K.Beis, S.Yashiro, C.Lee, J.Leung, A.D.Cameron, B.Byrne, S.Iwata, and D.Drew (2011).
Benchmarking membrane protein detergent stability for improving throughput of high-resolution X-ray structures.
  Structure, 19, 17-25.  
20233411 A.Kovalchuk, and A.J.Driessen (2010).
Phylogenetic analysis of fungal ABC transporters.
  BMC Genomics, 11, 177.  
20061384 A.Siarheyeva, R.Liu, and F.J.Sharom (2010).
Characterization of an asymmetric occluded state of P-glycoprotein with two bound nucleotides: implications for catalysis.
  J Biol Chem, 285, 7575-7586.  
20925689 A.Zarrin, A.R.Mehdipour, and R.Miri (2010).
Dihydropyridines and multidrug resistance: previous attempts, present state, and future trends.
  Chem Biol Drug Des, 76, 369-381.  
20103563 C.D.Klaassen, and L.M.Aleksunes (2010).
Xenobiotic, bile acid, and cholesterol transporters: function and regulation.
  Pharmacol Rev, 62, 1.  
21059948 C.Orelle, F.J.Alvarez, M.L.Oldham, A.Orelle, T.E.Wiley, J.Chen, and A.L.Davidson (2010).
Dynamics of alpha-helical subdomain rotation in the intact maltose ATP-binding cassette transporter.
  Proc Natl Acad Sci U S A, 107, 20293-20298.  
19819701 D.A.Gutmann, A.Ward, I.L.Urbatsch, G.Chang, and H.W.van Veen (2010).
Understanding polyspecificity of multidrug ABC transporters: closing in on the gaps in ABCB1.
  Trends Biochem Sci, 35, 36-42.  
20644544 D.Parcej, and R.Tampé (2010).
ABC proteins in antigen translocation and viral inhibition.
  Nat Chem Biol, 6, 572-580.  
20655344 D.W.Urry, K.D.Urry, W.Szaflarski, and M.Nowicki (2010).
Elastic-contractile model proteins: Physical chemistry, protein function and drug design and delivery.
  Adv Drug Deliv Rev, 62, 1404-1455.  
20731718 E.Crowley, M.L.O'Mara, I.D.Kerr, and R.Callaghan (2010).
Transmembrane helix 12 plays a pivotal role in coupling energy provision and drug binding in ABCB1.
  FEBS J, 277, 3974-3985.  
20504255 E.Errasti-Murugarren, and M.Pastor-Anglada (2010).
Drug transporter pharmacogenetics in nucleoside-based therapies.
  Pharmacogenomics, 11, 809-841.  
19857594 E.Lamping, P.V.Baret, A.R.Holmes, B.C.Monk, A.Goffeau, and R.D.Cannon (2010).
Fungal PDR transporters: Phylogeny, topology, motifs and function.
  Fungal Genet Biol, 47, 127-142.  
20962836 H.W.van Veen (2010).
Structural biology: Last of the multidrug transporters.
  Nature, 467, 926-927.  
20580544 H.Wade (2010).
MD recognition by MDR gene regulators.
  Curr Opin Struct Biol, 20, 489-496.  
20386707 I.Bottova, U.Sauder, V.Olivieri, A.B.Hehl, and S.Sonda (2010).
The P-glycoprotein inhibitor GF120918 modulates Ca2+-dependent processes and lipid metabolism in Toxoplasma gondii.
  PLoS One, 5, e10062.  
19961540 I.D.Kerr, P.M.Jones, and A.M.George (2010).
Multidrug efflux pumps: the structures of prokaryotic ATP-binding cassette transporter efflux pumps and implications for our understanding of eukaryotic P-glycoproteins and homologues.
  FEBS J, 277, 550-563.  
19940001 J.A.Lundbaek, S.A.Collingwood, H.I.Ingólfsson, R.Kapoor, and O.S.Andersen (2010).
Lipid bilayer regulation of membrane protein function: gramicidin channels as molecular force probes.
  J R Soc Interface, 7, 373-395.  
20454684 J.Aittoniemi, Wet, F.M.Ashcroft, and M.S.Sansom (2010).
Asymmetric switching in a homodimeric ABC transporter: a simulation study.
  PLoS Comput Biol, 6, e1000762.  
20214407 J.D.Ma, S.M.Tsunoda, J.S.Bertino, M.Trivedi, K.K.Beale, and A.N.Nafziger (2010).
Evaluation of in vivo P-glycoprotein phenotyping probes: a need for validation.
  Clin Pharmacokinet, 49, 223-237.  
20739007 J.K.Lee, and R.M.Stroud (2010).
Unlocking the eukaryotic membrane protein structural proteome.
  Curr Opin Struct Biol, 20, 464-470.  
20505882 J.Sivapackiam, S.E.Harpstrite, J.L.Prior, H.Gu, N.P.Rath, and V.Sharma (2010).
Synthesis, molecular structure, and validation of metalloprobes for assessment of MDR1 P-glycoprotein-mediated functional transport.
  Dalton Trans, 39, 5842-5850.  
19996093 J.W.Weng, K.N.Fan, and W.N.Wang (2010).
The conformational transition pathway of ATP binding cassette transporter MsbA revealed by atomistic simulations.
  J Biol Chem, 285, 3053-3063.  
20190787 K.M.Giacomini, S.M.Huang, D.J.Tweedie, L.Z.Benet, K.L.Brouwer, X.Chu, A.Dahlin, R.Evers, V.Fischer, K.M.Hillgren, K.A.Hoffmaster, T.Ishikawa, D.Keppler, R.B.Kim, C.A.Lee, M.Niemi, J.W.Polli, Y.Sugiyama, P.W.Swaan, J.A.Ware, S.H.Wright, S.W.Yee, M.J.Zamek-Gliszczynski, and L.Zhang (2010).
Membrane transporters in drug development.
  Nat Rev Drug Discov, 9, 215-236.  
20667175 K.R.Vinothkumar, and R.Henderson (2010).
Structures of membrane proteins.
  Q Rev Biophys, 43, 65.  
20179345 K.Terakado, A.Kodan, H.Nakano, Y.Kimura, K.Ueda, T.Nakatsu, and H.Kato (2010).
Deleting two C-terminal alpha-helices is effective to crystallize the bacterial ABC transporter Escherichia coli MsbA complexed with AMP-PNP.
  Acta Crystallogr D Biol Crystallogr, 66, 319-323.  
20148632 L.Y.Qiu, R.J.Wang, C.Zheng, Y.Jin, and l.e. .Q.Jin (2010).
Beta-cyclodextrin-centered star-shaped amphiphilic polymers for doxorubicin delivery.
  Nanomedicine (Lond), 5, 193-208.  
20399185 M.F.Rosenberg, Z.Bikadi, J.Chan, X.Liu, Z.Ni, X.Cai, R.C.Ford, and Q.Mao (2010).
The human breast cancer resistance protein (BCRP/ABCG2) shows conformational changes with mitoxantrone.
  Structure, 18, 482-493.  
  20421370 M.F.Tsai, M.Li, and T.C.Hwang (2010).
Stable ATP binding mediated by a partial NBD dimer of the CFTR chloride channel.
  J Gen Physiol, 135, 399-414.  
20823549 M.Haffke, A.Menzel, Y.Carius, D.Jahn, and D.W.Heinz (2010).
Structures of the nucleotide-binding domain of the human ABCB6 transporter and its complexes with nucleotides.
  Acta Crystallogr D Biol Crystallogr, 66, 979-987.
PDB codes: 3nh6 3nh9 3nha 3nhb
20478824 N.R.Voss, and M.Gerstein (2010).
3V: cavity, channel and cleft volume calculator and extractor.
  Nucleic Acids Res, 38, W555-W562.  
20412049 P.D.Eckford, and F.J.Sharom (2010).
The reconstituted Escherichia coli MsbA protein displays lipid flippase activity.
  Biochem J, 429, 195-203.  
20715055 R.Doshi, B.Woebking, and H.W.van Veen (2010).
Dissection of the conformational cycle of the multidrug/lipidA ABC exporter MsbA.
  Proteins, 78, 2867-2872.  
19961541 R.Ernst, P.Kueppers, J.Stindt, K.Kuchler, and L.Schmitt (2010).
Multidrug efflux pumps: substrate selection in ATP-binding cassette multidrug efflux pumps--first come, first served?
  FEBS J, 277, 540-549.  
19726755 R.S.Kasinathan, T.Goronga, S.M.Messerli, T.R.Webb, and R.M.Greenberg (2010).
Modulation of a Schistosoma mansoni multidrug transporter by the antischistosomal drug praziquantel.
  FASEB J, 24, 128-135.  
19860860 R.Spector (2010).
Nature and consequences of mammalian brain and CSF efflux transporters: four decades of progress.
  J Neurochem, 112, 13-23.  
20150177 S.Atwell, C.G.Brouillette, K.Conners, S.Emtage, T.Gheyi, W.B.Guggino, J.Hendle, J.F.Hunt, H.A.Lewis, F.Lu, I.I.Protasevich, L.A.Rodgers, R.Romero, S.R.Wasserman, P.C.Weber, D.Wetmore, F.F.Zhang, and X.Zhao (2010).
Structures of a minimal human CFTR first nucleotide-binding domain as a monomer, head-to-tail homodimer, and pathogenic mutant.
  Protein Eng Des Sel, 23, 375-384.
PDB codes: 2pze 2pzf 2pzg
20653978 S.Chai, K.K.To, and G.Lin (2010).
Circumvention of multi-drug resistance of cancer cells by Chinese herbal medicines.
  Chin Med, 5, 26.  
20336065 S.Eyal, B.Ke, M.Muzi, J.M.Link, D.A.Mankoff, A.C.Collier, and J.D.Unadkat (2010).
Regional P-glycoprotein activity and inhibition at the human blood-brain barrier as imaged by positron emission tomography.
  Clin Pharmacol Ther, 87, 579-585.  
20367445 S.J.Tam, and R.J.Watts (2010).
Connecting vascular and nervous system development: angiogenesis and the blood-brain barrier.
  Annu Rev Neurosci, 33, 379-408.  
20020128 S.M.Nathwani, S.Butler, D.Fayne, N.N.McGovern, B.Sarkadi, M.J.Meegan, D.G.Lloyd, G.Campiani, M.Lawler, D.C.Williams, and D.M.Zisterer (2010).
Novel microtubule-targeting agents, pyrrolo-1,5-benzoxazepines, induce apoptosis in multi-drug-resistant cancer cells.
  Cancer Chemother Pharmacol, 66, 585-596.  
20138191 T.Ishikawa, A.Sakurai, H.Hirano, A.Lezhava, M.Sakurai, and Y.Hayashizaki (2010).
Emerging new technologies in Pharmacogenomics: rapid SNP detection, molecular dynamic simulation, and QSAR analysis methods to validate clinically important genetic variants of human ABC Transporter ABCB1 (P-gp/MDR1).
  Pharmacol Ther, 126, 69-81.  
19927121 V.Kanelis, R.P.Hudson, P.H.Thibodeau, P.J.Thomas, and J.D.Forman-Kay (2010).
NMR evidence for differential phosphorylation-dependent interactions in WT and DeltaF508 CFTR.
  EMBO J, 29, 263-277.  
20541505 V.M.Korkhov, C.Sachse, J.M.Short, and C.G.Tate (2010).
Three-dimensional structure of TspO by electron cryomicroscopy of helical crystals.
  Structure, 18, 677-687.  
20133716 W.Wang, J.Wu, K.Bernard, G.Li, G.Wang, M.O.Bevensee, and K.L.Kirk (2010).
ATP-independent CFTR channel gating and allosteric modulation by phosphorylation.
  Proc Natl Acad Sci U S A, 107, 3888-3893.  
20861838 X.He, P.Szewczyk, A.Karyakin, M.Evin, W.X.Hong, Q.Zhang, and G.Chang (2010).
Structure of a cation-bound multidrug and toxic compound extrusion transporter.
  Nature, 467, 991-994.
PDB codes: 3mkt 3mku
20976679 Y.Yan, C.J.Ochs, G.K.Such, J.K.Heath, E.C.Nice, and F.Caruso (2010).
Bypassing multidrug resistance in cancer cells with biodegradable polymer capsules.
  Adv Mater, 22, 5398-5403.  
20812902 Z.Ni, Z.Bikadi, M.F.Rosenberg, and Q.Mao (2010).
Structure and function of the human breast cancer resistance protein (BCRP/ABCG2).
  Curr Drug Metab, 11, 603-617.  
  19732422 A.W.Ravna, I.Sylte, and G.Sager (2009).
Binding site of ABC transporter homology models confirmed by ABCB1 crystal structure.
  Theor Biol Med Model, 6, 20.  
19946134 C.M.Paumi, M.Chuk, J.Snider, I.Stagljar, and S.Michaelis (2009).
ABC transporters in Saccharomyces cerevisiae and their interactors: new technology advances the biology of the ABCC (MRP) subfamily.
  Microbiol Mol Biol Rev, 73, 577-593.  
19456124 E.Crowley, M.L.O'Mara, C.Reynolds, D.P.Tieleman, J.Storm, I.D.Kerr, and R.Callaghan (2009).
Transmembrane helix 12 modulates progression of the ATP catalytic cycle in ABCB1.
  Biochemistry, 48, 6249-6258.  
19418088 G.K.Wang, J.Calderon, S.J.Jaw, and S.Y.Wang (2009).
State-dependent block of Na+ channels by articaine via the local anesthetic receptor.
  J Membr Biol, 229, 1-9.  
19722844 H.I.Zgurskaya (2009).
Multicomponent drug efflux complexes: architecture and mechanism of assembly.
  Future Microbiol, 4, 919-932.  
20368174 H.Matsuo, T.Takada, K.Ichida, T.Nakamura, A.Nakayama, Y.Ikebuchi, K.Ito, Y.Kusanagi, T.Chiba, S.Tadokoro, Y.Takada, Y.Oikawa, H.Inoue, K.Suzuki, R.Okada, J.Nishiyama, H.Domoto, S.Watanabe, M.Fujita, Y.Morimoto, M.Naito, K.Nishio, A.Hishida, K.Wakai, Y.Asai, K.Niwa, K.Kamakura, S.Nonoyama, Y.Sakurai, T.Hosoya, Y.Kanai, H.Suzuki, N.Hamajima, and N.Shinomiya (2009).
Common defects of ABCG2, a high-capacity urate exporter, cause gout: a function-based genetic analysis in a Japanese population.
  Sci Transl Med, 1, 5ra11.  
19688600 H.Saito, M.Osumi, H.Hirano, W.Shin, R.Nakamura, and T.Ishikawa (2009).
Technical pitfalls and improvements for high-speed screening and QSAR analysis to predict inhibitors of the human bile salt export pump (ABCB11/BSEP).
  AAPS J, 11, 581-589.  
19768722 I.K.Pajeva, C.Globisch, and M.Wiese (2009).
Combined pharmacophore modeling, docking, and 3D QSAR studies of ABCB1 and ABCC1 transporter inhibitors.
  ChemMedChem, 4, 1883-1896.  
19860385 J.A.Brailsford, R.Lauchli, and K.J.Shea (2009).
Synthesis of the bicyclic welwitindolinone core via an alkylation/cyclization cascade reaction.
  Org Lett, 11, 5330-5333.  
19707853 J.P.Mornon, P.Lehn, and I.Callebaut (2009).
Molecular models of the open and closed states of the whole human CFTR protein.
  Cell Mol Life Sci, 66, 3469-3486.  
19777523 K.Sterz, L.Möllmann, A.Jacobs, D.Baumert, and M.Wiese (2009).
Activators of P-glycoprotein: Structure-activity relationships and investigation of their mode of action.
  ChemMedChem, 4, 1897-1911.  
19937827 M.A.Demel, O.Krämer, P.Ettmayer, E.E.Haaksma, and G.F.Ecker (2009).
Predicting ligand interactions with ABC transporters in ADME.
  Chem Biodivers, 6, 1960-1969.  
19762091 M.D.Hall, M.D.Handley, and M.M.Gottesman (2009).
Is resistance useless? Multidrug resistance and collateral sensitivity.
  Trends Pharmacol Sci, 30, 546-556.  
20040113 M.Freigassner, H.Pichler, and A.Glieder (2009).
wTuning microbial hosts for membrane protein production.
  Microb Cell Fact, 8, 69.  
19513059 M.M.Gottesman, S.V.Ambudkar, and D.Xia (2009).
Structure of a multidrug transporter.
  Nat Biotechnol, 27, 546-547.  
19625998 P.Kannan, C.John, S.S.Zoghbi, C.Halldin, M.M.Gottesman, R.B.Innis, and M.D.Hall (2009).
Imaging the function of P-glycoprotein with radiotracers: pharmacokinetics and in vivo applications.
  Clin Pharmacol Ther, 86, 368-377.  
19748784 P.M.Jones, M.L.O'Mara, and A.M.George (2009).
ABC transporters: a riddle wrapped in a mystery inside an enigma.
  Trends Biochem Sci, 34, 520-531.  
19715704 P.Zou, and H.S.McHaourab (2009).
Alternating access of the putative substrate-binding chamber in the ABC transporter MsbA.
  J Mol Biol, 393, 574-585.  
19715702 P.Zou, M.Bortolus, and H.S.McHaourab (2009).
Conformational cycle of the ABC transporter MsbA in liposomes: detailed analysis using double electron-electron resonance spectroscopy.
  J Mol Biol, 393, 586-597.  
19748342 S.Newstead, P.W.Fowler, P.Bilton, E.P.Carpenter, P.J.Sadler, D.J.Campopiano, M.S.Sansom, and S.Iwata (2009).
Insights into how nucleotide-binding domains power ABC transport.
  Structure, 17, 1213-1222.
PDB code: 3fvq
19593434 S.Velamakanni, C.H.Lau, D.A.Gutmann, H.Venter, N.P.Barrera, M.A.Seeger, B.Woebking, D.Matak-Vinkovic, L.Balakrishnan, Y.Yao, E.C.U, R.A.Shilling, C.V.Robinson, P.Thorn, and H.W.van Veen (2009).
A multidrug ABC transporter with a taste for salt.
  PLoS One, 4, e6137.  
19694525 T.B.Strouse (2009).
Pharmacokinetic drug interactions in palliative care: focus on opioids.
  J Palliat Med, 12, 1043-1050.  
19581304 T.W.Loo, M.C.Bartlett, and D.M.Clarke (2009).
Identification of residues in the drug translocation pathway of the human multidrug resistance P-glycoprotein by arginine mutagenesis.
  J Biol Chem, 284, 24074-24087.  
19544044 V.Kos, and R.C.Ford (2009).
The ATP-binding cassette family: a structural perspective.
  Cell Mol Life Sci, 66, 3111-3126.  
The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time. Where a reference describes a PDB structure, the PDB code is shown on the right.