Structural characterization of two metastable ATP-bound states of P-glycoprotein

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Structural characterization of two metastable ATP-bound states of P-glycoprotein is …
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scholarly articleQ13442814

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P819ADS bibcode2014PLoSO...991916O
P356DOI10.1371/JOURNAL.PONE.0091916
P932PMC publication ID3954865
P698PubMed publication ID24632881
P5875ResearchGate publication ID260841273

P50authorAlan MarkQ21684355
Megan L O'MaraQ40290874
P2860cites workSubstrate versus inhibitor dynamics of P-glycoprotein.Q50996579
Definition and testing of the GROMOS force-field versions 54A7 and 54B7Q56225271
GROMACS 3.0: a package for molecular simulation and trajectory analysisQ57082068
An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0Q57204661
Molecular dynamics with coupling to an external bathQ57569060
Drug-stimulated ATPase Activity of Human P-glycoprotein Requires Movement between Transmembrane Segments 6 and 12Q57976942
Inhibition of Oxidative Cross-linking between Engineered Cysteine Residues at Positions 332 in Predicted Transmembrane Segments (TM) 6 and 975 in Predicted TM12 of Human P-glycoprotein by Drug SubstratesQ57976949
Folding-unfolding thermodynamics of a beta-heptapeptide from equilibrium simulationsQ74452346
Conformational changes induced by ATP-hydrolysis in an ABC transporter: a molecular dynamics study of the Sav1866 exporterQ83846383
On the Validation of Molecular Dynamics Simulations of Saturated and cis-Monounsaturated Phosphatidylcholine Lipid Bilayers: A Comparison with ExperimentQ86822781
H662 is the linchpin of ATP hydrolysis in the nucleotide-binding domain of the ABC transporter HlyBQ24529132
Modeling large regions in proteins: applications to loops, termini, and foldingQ24598781
ATP binding to the motor domain from an ABC transporter drives formation of a nucleotide sandwich dimerQ24602726
ABC transporters: the power to changeQ24634548
Structure of P-glycoprotein reveals a molecular basis for poly-specific drug bindingQ24657908
Flexibility in the ABC transporter MsbA: Alternating access with a twistQ24676413
Structural biology of Rad50 ATPase: ATP-driven conformational control in DNA double-strand break repair and the ABC-ATPase superfamilyQ27625340
A Tweezers-like Motion of the ATP-Binding Cassette Dimer in an ABC Transport CycleQ27642284
Structure of the multidrug ABC transporter Sav1866 from Staphylococcus aureus in complex with AMP-PNPQ27643828
Crystal structure of the multidrug transporter P-glycoprotein from Caenorhabditis elegansQ27673547
Kinetics of the Association/Dissociation Cycle of an ATP-binding Cassette Nucleotide-binding DomainQ27676117
Crystal structure of a heterodimeric ABC transporter in its inward-facing conformationQ27678196
Structures of ABCB10, a human ATP-binding cassette transporter in apo- and nucleotide-bound statesQ27678363
Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domainQ27679289
Refined structures of mouse P-glycoproteinQ27680445
VMD: visual molecular dynamicsQ27860554
ModLoop: automated modeling of loops in protein structuresQ28190686
Environment and exposure to solvent of protein atoms. Lysozyme and insulinQ28245387
Significance of root-mean-square deviation in comparing three-dimensional structures of globular proteinsQ28258813
Structure of a bacterial multidrug ABC transporterQ29617308
Subunit interactions in ABC transporters: towards a functional architectureQ30175332
Insights on P-Glycoprotein's Efflux Mechanism Obtained by Molecular Dynamics Simulations.Q30381678
Characterization of an asymmetric occluded state of P-glycoprotein with two bound nucleotides: implications for catalysisQ33748171
The catalytic cycle of P-glycoproteinQ34370183
Dynamics of alpha-helical subdomain rotation in the intact maltose ATP-binding cassette transporterQ34377172
Folding of helical membrane proteins: the role of polar, GxxxG-like and proline motifsQ35863914
Structure of a multidrug transporterQ36083039
The translocation mechanism of P-glycoprotein.Q36354417
Recent progress in understanding the mechanism of P-glycoprotein-mediated drug efflux.Q36386127
Human multidrug resistance ABCB and ABCG transporters: participation in a chemoimmunity defense systemQ36610461
Computational studies of membrane proteins: models and predictions for biological understandingQ37952425
Mechanism of the ABC transporter ATPase domains: catalytic models and the biochemical and biophysical recordQ38058157
Identification of residues in the drug translocation pathway of the human multidrug resistance P-glycoprotein by arginine mutagenesisQ39828462
Nucleotide binding, ATP hydrolysis, and mutation of the catalytic carboxylates of human P-glycoprotein cause distinct conformational changes in the transmembrane segmentsQ40106045
The Effect of Environment on the Structure of a Membrane Protein: P-Glycoprotein under Physiological ConditionsQ40290755
Transmembrane segment 1 of human P-glycoprotein contributes to the drug-binding pocketQ40313463
ATP hydrolysis promotes interactions between the extracellular ends of transmembrane segments 1 and 11 of human multidrug resistance P-glycoprotein.Q40393600
Processing mutations located throughout the human multidrug resistance P-glycoprotein disrupt interactions between the nucleotide binding domains.Q40537131
The packing of the transmembrane segments of human multidrug resistance P-glycoprotein is revealed by disulfide cross-linking analysis.Q40899411
Proteolytic Cleavage of the Linker Region of the Human P-glycoprotein Modulates Its ATPase FunctionQ42051257
Functional role of the linker region in purified human P-glycoprotein.Q42454700
The ATPase and ATP-binding functions of P-glycoprotein--modulation by interaction with defined phospholipidsQ42461420
Both ATP sites of human P-glycoprotein are essential but not symmetricQ42479018
Activation of the human P-glycoprotein ATPase by trypsinQ42485272
Reconstitution of drug-stimulated ATPase activity following co-expression of each half of human P-glycoprotein as separate polypeptidesQ42800768
Human P-glycoprotein is active when the two halves are clamped together in the closed conformationQ43098331
Determining the dimensions of the drug-binding domain of human P-glycoprotein using thiol cross-linking compounds as molecular rulersQ43717027
P-glycoprotein retains function when reconstituted into a sphingolipid- and cholesterol-rich environmentQ44982216
P275copyright licenseCreative Commons Attribution 4.0 InternationalQ20007257
P6216copyright statuscopyrightedQ50423863
P433issue3
P407language of work or nameEnglishQ1860
P304page(s)e91916
P577publication date2014-03-14
P1433published inPLOS OneQ564954
P1476titleStructural characterization of two metastable ATP-bound states of P-glycoprotein
P478volume9

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cites work (P2860)
Q57050158Allosteric Role of Substrate Occupancy Toward the Alignment of P-glycoprotein Nucleotide Binding Domains
Q51404012Allosteric effects of ATP binding on the nucleotide-binding domain of a heterodimeric ATP-binding cassette transporter.
Q53461492Dissecting the Forces that Dominate Dimerization of the Nucleotide Binding Domains of ABCB1.
Q30636997Equilibrated atomic models of outward-facing P-glycoprotein and effect of ATP binding on structural dynamics
Q48269107Insights Into the Molecular Mechanism of Triptan Transport by P-glycoprotein.
Q61450544Lipid-Dependent Alternating Access Mechanism of a Bacterial Multidrug ABC Exporter
Q26777721Providing a molecular mechanism for P-glycoprotein; why would I bother?
Q42576636Release of Entropic Spring Reveals Conformational Coupling Mechanism in the ABC Transporter BtuCD-F.
Q28545890The Nucleotide-Free State of the Multidrug Resistance ABC Transporter LmrA: Sulfhydryl Cross-Linking Supports a Constant Contact, Head-to-Tail Configuration of the Nucleotide-Binding Domains
Q48165185The reliability of molecular dynamics simulations of the multidrug transporter P-glycoprotein in a membrane environment.

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