-
1
-
-
79959534723
-
Role of Water during the Extrusion of Substrates by the Efflux Transporter AcrB
-
R. Schulz A. V. Vargiu P. Ruggerone U. Kleinekathöfer Role of Water during the Extrusion of Substrates by the Efflux Transporter AcrB J. Phys. Chem. B 2011 115 8278 8287
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 8278-8287
-
-
Schulz, R.1
Vargiu, A.V.2
Ruggerone, P.3
Kleinekathöfer, U.4
-
2
-
-
0030029513
-
AcrAB efflux pump plays a major role in the antibiotic resistance phenotype of Escherichia coli multiple-antibiotic-resistance (Mar) mutants
-
H. Okusu D. Ma H. Nikaido AcrAB efflux pump plays a major role in the antibiotic resistance phenotype of Escherichia coli multiple-antibiotic- resistance (Mar) mutants J. Bacteriol. 1996 178 306 308
-
(1996)
J. Bacteriol.
, vol.178
, pp. 306-308
-
-
Okusu, H.1
Ma, D.2
Nikaido, H.3
-
3
-
-
0034817367
-
Analysis of a complete library of putative drug transporter genes in Escherichia coli
-
K. Nishino A. Yamaguchi Analysis of a complete library of putative drug transporter genes in Escherichia coli J. Bacteriol. 2001 183 5803 5812
-
(2001)
J. Bacteriol.
, vol.183
, pp. 5803-5812
-
-
Nishino, K.1
Yamaguchi, A.2
-
6
-
-
0035087832
-
Multidrug efflux pumps and antimicrobial resistance in Pseudomonas aeruginosa and related organisms
-
K. Poole Multidrug efflux pumps and antimicrobial resistance in Pseudomonas aeruginosa and related organisms J. Mol. Microbiol. Biotechnol. 2001 3 255 264
-
(2001)
J. Mol. Microbiol. Biotechnol.
, vol.3
, pp. 255-264
-
-
Poole, K.1
-
7
-
-
33645062695
-
Virulence and drug resistance roles of multidrug efflux systems of Salmonella enterica serovar Typhimurium
-
K. Nishino T. Latifi E. A. Groisman Virulence and drug resistance roles of multidrug efflux systems of Salmonella enterica serovar Typhimurium Mol. Microbiol. 2006 59 126 141
-
(2006)
Mol. Microbiol.
, vol.59
, pp. 126-141
-
-
Nishino, K.1
Latifi, T.2
Groisman, E.A.3
-
10
-
-
0035086501
-
Antibiotic Susceptibility Profiles of Escherichia coli Strains Lacking Multidrug Efflux Pump Genes
-
M. C. Sulavik C. Houseweart C. Cramer N. Jiwani N. Murgolo J. Greene B. DiDomenico K. J. Shaw G. H. Miller R. Hare Antibiotic Susceptibility Profiles of Escherichia coli Strains Lacking Multidrug Efflux Pump Genes Antimicrob. Agents Chemother. 2001 45 1126 1136
-
(2001)
Antimicrob. Agents Chemother.
, vol.45
, pp. 1126-1136
-
-
Sulavik, M.C.1
Houseweart, C.2
Cramer, C.3
Jiwani, N.4
Murgolo, N.5
Greene, J.6
Didomenico, B.7
Shaw, K.J.8
Miller, G.H.9
Hare, R.10
-
11
-
-
0027494050
-
Multiple antibiotic resistance in Pseudomonas aeruginosa: Evidence for involvement of an efflux operon
-
K. Poole K. Krebes C. McNally S. Neshat Multiple antibiotic resistance in Pseudomonas aeruginosa: evidence for involvement of an efflux operon J. Bacteriol. 1993 175 7363 7372
-
(1993)
J. Bacteriol.
, vol.175
, pp. 7363-7372
-
-
Poole, K.1
Krebes, K.2
McNally, C.3
Neshat, S.4
-
12
-
-
3542998054
-
AcrA, AcrB, and TolC of Escherichia coli form a stable intermembrane multidrug efflux complex
-
E. B. Tikhonova H. I. Zgurskaya AcrA, AcrB, and TolC of Escherichia coli form a stable intermembrane multidrug efflux complex J. Biol. Chem. 2004 279 32116 32124
-
(2004)
J. Biol. Chem.
, vol.279
, pp. 32116-32124
-
-
Tikhonova, E.B.1
Zgurskaya, H.I.2
-
14
-
-
0034702177
-
Crystal structure of the bacterial membrane protein TolC central to multidrug efflux and protein export
-
V. Koronakis A. Sharff E. Koronakis B. Luisi C. Hughes Crystal structure of the bacterial membrane protein TolC central to multidrug efflux and protein export Nature 2000 405 914 919
-
(2000)
Nature
, vol.405
, pp. 914-919
-
-
Koronakis, V.1
Sharff, A.2
Koronakis, E.3
Luisi, B.4
Hughes, C.5
-
15
-
-
0029796966
-
Evidence that TolC is required for functioning of the Mar/AcrAB efflux pump of Escherichia coli
-
J. A. Fralick Evidence that TolC is required for functioning of the Mar/AcrAB efflux pump of Escherichia coli J. Bacteriol. 1996 178 5803 5805
-
(1996)
J. Bacteriol.
, vol.178
, pp. 5803-5805
-
-
Fralick, J.A.1
-
16
-
-
58749106615
-
Gating at both ends and breathing in the middle: Conformational dynamics of TolC
-
L. Vaccaro K. A. Scott M. S. P. Sansom Gating at both ends and breathing in the middle: conformational dynamics of TolC Biophys. J. 2008 95 5681 5691
-
(2008)
Biophys. J.
, vol.95
, pp. 5681-5691
-
-
Vaccaro, L.1
Scott, K.A.2
Sansom, M.S.P.3
-
17
-
-
0033534373
-
AcrA is a highly asymmetric protein capable of spanning the periplasm
-
H. I. Zgurskaya H. Nikaido AcrA is a highly asymmetric protein capable of spanning the periplasm J. Mol. Biol. 1999 285 409 420
-
(1999)
J. Mol. Biol.
, vol.285
, pp. 409-420
-
-
Zgurskaya, H.I.1
Nikaido, H.2
-
18
-
-
33644833626
-
Conformational flexibility in the multidrug efflux system protein AcrA
-
J. Mikolosko K. Bobyk H. I. Zgurskaya P. Ghosh Conformational flexibility in the multidrug efflux system protein AcrA Structure 2006 14 577 587
-
(2006)
Structure
, vol.14
, pp. 577-587
-
-
Mikolosko, J.1
Bobyk, K.2
Zgurskaya, H.I.3
Ghosh, P.4
-
19
-
-
0037057652
-
Crystal structure of bacterial multidrug efflux transporter AcrB
-
S. Murakami R. Nakashima E. Yamashita A. Yamaguchi Crystal structure of bacterial multidrug efflux transporter AcrB Nature 2002 419 587 593
-
(2002)
Nature
, vol.419
, pp. 587-593
-
-
Murakami, S.1
Nakashima, R.2
Yamashita, E.3
Yamaguchi, A.4
-
20
-
-
49549088341
-
Multidrug efflux transporter, AcrB - The pumping mechanism
-
S. Murakami Multidrug efflux transporter, AcrB - the pumping mechanism Curr. Opin. Struct. Biol. 2008 18 459 465
-
(2008)
Curr. Opin. Struct. Biol.
, vol.18
, pp. 459-465
-
-
Murakami, S.1
-
21
-
-
33748670458
-
Crystal structures of a multidrug transporter reveal a functionally rotating mechanism
-
S. Murakami R. Nakashima E. Yamashita T. Matsumoto A. Yamaguchi Crystal structures of a multidrug transporter reveal a functionally rotating mechanism Nature 2006 443 173 179
-
(2006)
Nature
, vol.443
, pp. 173-179
-
-
Murakami, S.1
Nakashima, R.2
Yamashita, E.3
Matsumoto, T.4
Yamaguchi, A.5
-
22
-
-
30344438241
-
Dynamics of the trimeric AcrB transporter protein inferred from a B-factor analysis of the crystal structure
-
W. Lu C. Wang E. Yu K. Ho Dynamics of the trimeric AcrB transporter protein inferred from a B-factor analysis of the crystal structure Proteins: Struct., Funct., Genet. 2006 62 152 158
-
(2006)
Proteins: Struct., Funct., Genet.
, vol.62
, pp. 152-158
-
-
Lu, W.1
Wang, C.2
Yu, E.3
Ho, K.4
-
23
-
-
80052601598
-
Three ways in, one way out: Water dynamics in the trans-membrane domains of the inner membrane translocase AcrB
-
N. Fischer C. Kandt Three ways in, one way out: Water dynamics in the trans-membrane domains of the inner membrane translocase AcrB Proteins: Struct., Funct., Genet. 2011 70 2871 2885
-
(2011)
Proteins: Struct., Funct., Genet.
, vol.70
, pp. 2871-2885
-
-
Fischer, N.1
Kandt, C.2
-
27
-
-
65449155090
-
Crystal structure of the multidrug exporter MexB from Pseudomonas aeruginosa
-
G. Sennhauser M. A. Bukowska C. Briand M. G. Grütter Crystal structure of the multidrug exporter MexB from Pseudomonas aeruginosa J. Mol. Biol. 2009 389 134 145
-
(2009)
J. Mol. Biol.
, vol.389
, pp. 134-145
-
-
Sennhauser, G.1
Bukowska, M.A.2
Briand, C.3
Grütter, M.G.4
-
28
-
-
84355166442
-
Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket
-
R. Nakashima K. Sakurai S. Yamasaki K. Nishino A. Yamaguchi Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket Nature 2011 480 565 569
-
(2011)
Nature
, vol.480
, pp. 565-569
-
-
Nakashima, R.1
Sakurai, K.2
Yamasaki, S.3
Nishino, K.4
Yamaguchi, A.5
-
29
-
-
84865783080
-
-
Accelrys Inc, San Diego, CA, USA
-
D. Studio, version 2.5, Accelrys Inc, San Diego, CA, USA, 2009
-
(2009)
Version 2.5
-
-
Studio, D.1
-
30
-
-
4043162793
-
VEGA - An open platform to develop chemo-bio-informatics applications, using plug-in architecture and script programming
-
A. Pedretti L. Villa G. Vistoli VEGA - an open platform to develop chemo-bio-informatics applications, using plug-in architecture and script programming J. Comput.-Aided Mol. Des. 2004 18 167 173
-
(2004)
J. Comput.-Aided Mol. Des.
, vol.18
, pp. 167-173
-
-
Pedretti, A.1
Villa, L.2
Vistoli, G.3
-
33
-
-
77950638605
-
Computational modeling of structure-function of G protein-coupled receptors with applications for drug design
-
Y. Li T. Hou I. Goddard Computational modeling of structure-function of G protein-coupled receptors with applications for drug design Curr. Med. Chem. 2010 17 1167 1180
-
(2010)
Curr. Med. Chem.
, vol.17
, pp. 1167-1180
-
-
Li, Y.1
Hou, T.2
Goddard, I.3
-
34
-
-
78650675619
-
Computational Simulation of Drug Delivery at Molecular Level
-
Y. Li T. Hou Computational Simulation of Drug Delivery at Molecular Level Curr. Med. Chem. 2010 17 4482 4491
-
(2010)
Curr. Med. Chem.
, vol.17
, pp. 4482-4491
-
-
Li, Y.1
Hou, T.2
-
36
-
-
34848928184
-
Prediction of the 3D structure and dynamics of human DP G-protein coupled receptor bound to an agonist and an antagonist
-
Y. Li F. Zhu N. Vaidehi W. A. Goddard III F. Sheinerman S. Reiling I. Morize L. Mu K. Harris A. Ardati Prediction of the 3D structure and dynamics of human DP G-protein coupled receptor bound to an agonist and an antagonist J. Am. Chem. Soc. 2007 129 10720 10731
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 10720-10731
-
-
Li, Y.1
Zhu, F.2
Vaidehi, N.3
Goddard Iii, W.A.4
Sheinerman, F.5
Reiling, S.6
Morize, I.7
Mu, L.8
Harris, K.9
Ardati, A.10
-
37
-
-
84862027158
-
Studies on the Interactions between β2 Adrenergic Receptor and Gs Protein by Molecular Dynamics Simulations
-
Z. Feng T. Hou Y. Li Studies on the Interactions between β2 Adrenergic Receptor and Gs Protein by Molecular Dynamics Simulations J. Chem. Inf. Model. 2012 52 1005 1014
-
(2012)
J. Chem. Inf. Model.
, vol.52
, pp. 1005-1014
-
-
Feng, Z.1
Hou, T.2
Li, Y.3
-
38
-
-
0042415783
-
NAMD2: Greater Scalability for Parallel Molecular Dynamics
-
L. Kalé R. Skeel M. Bhandarkar R. Brunner A. Gursoy N. Krawetz J. Phillips A. Shinozaki K. Varadarajan K. Schulten NAMD2: Greater Scalability for Parallel Molecular Dynamics J. Comput. Phys. 1999 151 283 312
-
(1999)
J. Comput. Phys.
, vol.151
, pp. 283-312
-
-
Kalé, L.1
Skeel, R.2
Bhandarkar, M.3
Brunner, R.4
Gursoy, A.5
Krawetz, N.6
Phillips, J.7
Shinozaki, A.8
Varadarajan, K.9
Schulten, K.10
-
39
-
-
0041784950
-
All-atom empirical potential for molecular modeling and dynamics studies of proteins
-
A. D. MacKerell D. Bashford M. Bellott R. L. Dunbrack J. D. Evanseck M. J. Field S. Fischer J. Gao H. Guo S. Ha D. Joseph-McCarthy L. Kuchnir K. Kuczera F. T. K. Lau C. Mattos S. Michnick T. Ngo D. T. Nguyen B. Prodhom W. E. Reiher B. Roux M. Schlenkrich J. C. Smith R. Stote J. Straub M. Watanabe J. Wiorkiewicz-Kuczera D. Yin M. Karplus All-atom empirical potential for molecular modeling and dynamics studies of proteins J. Phys. Chem. B 1998 102 3586 3616
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 3586-3616
-
-
MacKerell, A.D.1
Bashford, D.2
Bellott, M.3
Dunbrack, R.L.4
Evanseck, J.D.5
Field, M.J.6
Fischer, S.7
Gao, J.8
Guo, H.9
Ha, S.10
Joseph-Mccarthy, D.11
Kuchnir, L.12
Kuczera, K.13
Lau, F.T.K.14
Mattos, C.15
Michnick, S.16
Ngo, T.17
Nguyen, D.T.18
Prodhom, B.19
Reiher, W.E.20
Roux, B.21
Schlenkrich, M.22
Smith, J.C.23
Stote, R.24
Straub, J.25
Watanabe, M.26
Wiorkiewicz-Kuczera, J.27
Yin, D.28
Karplus, M.29
more..
-
40
-
-
84986512474
-
CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
-
B. R. Brooks R. E. Bruccoleri B. D. Olafson CHARMM: A program for macromolecular energy, minimization, and dynamics calculations J. Comput. Chem. 1983 4 187 217
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 187-217
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
-
41
-
-
0034250744
-
An improved empirical potential energy function for molecular simulations of phospholipids
-
S. E. Feller A. D. MacKerell An improved empirical potential energy function for molecular simulations of phospholipids J. Phys. Chem. B 2000 104 7510 7515
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 7510-7515
-
-
Feller, S.E.1
MacKerell, A.D.2
-
43
-
-
63049131979
-
Covalently linked trimer of the AcrB multidrug efflux pump provides support for the functional rotating mechanism
-
Y. Takatsuka H. Nikaido Covalently linked trimer of the AcrB multidrug efflux pump provides support for the functional rotating mechanism J. Bacteriol. 2009 191 1729 1737
-
(2009)
J. Bacteriol.
, vol.191
, pp. 1729-1737
-
-
Takatsuka, Y.1
Nikaido, H.2
-
44
-
-
78649344142
-
Substrate path in the AcrB multidrug efflux pump of Escherichia coli
-
F. Husain H. Nikaido Substrate path in the AcrB multidrug efflux pump of Escherichia coli Mol. Microbiol. 2010 78 320 330
-
(2010)
Mol. Microbiol.
, vol.78
, pp. 320-330
-
-
Husain, F.1
Nikaido, H.2
-
45
-
-
33749052047
-
Chance and design - Proton transfer in water, channels and bioenergetic proteins
-
C. A. Wraight Chance and design - proton transfer in water, channels and bioenergetic proteins Biochim. Biophys. Acta, Bioenerg. 2006 1757 886 912
-
(2006)
Biochim. Biophys. Acta, Bioenerg.
, vol.1757
, pp. 886-912
-
-
Wraight, C.A.1
-
46
-
-
33749043747
-
Et tu, Grotthuss! and other unfinished stories
-
S. Cukierman Et tu, Grotthuss! and other unfinished stories Biochim. Biophys. Acta, Bioenerg. 2006 1757 876 885
-
(2006)
Biochim. Biophys. Acta, Bioenerg.
, vol.1757
, pp. 876-885
-
-
Cukierman, S.1
-
47
-
-
33748969865
-
Proton transfer 200 years after von Grotthuss: Insights from ab initio simulations
-
D. Marx Proton transfer 200 years after von Grotthuss: insights from ab initio simulations ChemPhysChem 2006 7 1848 1870
-
(2006)
ChemPhysChem
, vol.7
, pp. 1848-1870
-
-
Marx, D.1
|