5JMN
 
 | | Fusidic acid bound AcrB | | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15-PENTAOXAHEPTADECANE, DARPin, ... | | Authors: | Oswald, C, Tam, H.K, Pos, K.M. | | Deposit date: | 2016-04-29 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Transport of lipophilic carboxylates is mediated by transmembrane helix 2 in multidrug transporter AcrB.
Nat Commun, 7, 2016
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5LWE
 | | Crystal structure of the human CC chemokine receptor type 9 (CCR9) in complex with vercirnon | | Descriptor: | C-C chemokine receptor type 9, CHOLESTEROL, MALONATE ION, ... | | Authors: | Oswald, C, Rappas, M, Kean, J, Dore, A.S, Errey, J.C, Bennett, K, Deflorian, F, Christopher, J.A, Jazayeri, A, Mason, J.S, Congreve, M, Cooke, R.M, Marshall, F.H. | | Deposit date: | 2016-09-16 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Intracellular allosteric antagonism of the CCR9 receptor.
Nature, 540, 2016
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2PMK
 | | Crystal structures of an isolated ABC-ATPase in complex with TNP-ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Alpha-hemolysin translocation ATP-binding protein hlyB, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE | | Authors: | Oswald, C, Jenewein, S, Holland, I.B, Schmitt, L. | | Deposit date: | 2007-04-23 | | Release date: | 2008-02-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Water-mediated protein-fluorophore interactions modulate the affinity of an ABC-ATPase/TNP-ADP complex
J.Struct.Biol., 162, 2008
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2REG
 | | ABC-transporter choline binding protein in complex with choline | | Descriptor: | CHOLINE ION, PUTATIVE GLYCINE BETAINE-BINDING ABC TRANSPORTER PROTEIN | | Authors: | Oswald, C, Schimtt, L, Smits, S.H.J, Hoeing, M, Sohn-Boeser, L, Bremer, E. | | Deposit date: | 2007-09-26 | | Release date: | 2008-09-16 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of the choline/acetylcholine substrate-binding protein ChoX from Sinorhizobium meliloti in the liganded and unliganded-closed states.
J.Biol.Chem., 283, 2008
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2REJ
 | | ABC-transporter choline binding protein in unliganded semi-closed conformation | | Descriptor: | PUTATIVE GLYCINE BETAINE ABC TRANSPORTER PROTEIN | | Authors: | Oswald, C, Smits, S.H.J, Hoeing, M, Sohn-Boeser, L, Le Rudulier, D, Schmitt, L, Bremer, E. | | Deposit date: | 2007-09-26 | | Release date: | 2008-09-16 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of the choline/acetylcholine substrate-binding protein ChoX from Sinorhizobium meliloti in the liganded and unliganded-closed states.
J.Biol.Chem., 283, 2008
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2RF1
 | | Crystal structure of ChoX in an unliganded closed conformation | | Descriptor: | PUTATIVE GLYCINE BETAINE-BINDING ABC TRANSPORTER PROTEIN | | Authors: | Oswald, C, Smits, S.H.J, Hoeing, M, Sohn-Boeser, L, Le Rudulier, D, Schmitt, L, Bremer, E. | | Deposit date: | 2007-09-27 | | Release date: | 2008-09-16 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the choline/acetylcholine substrate-binding protein ChoX from Sinorhizobium meliloti in the liganded and unliganded-closed states.
J.Biol.Chem., 283, 2008
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2RIN
 | | ABC-transporter choline binding protein in complex with acetylcholine | | Descriptor: | ACETYLCHOLINE, PUTATIVE GLYCINE BETAINE-BINDING ABC TRANSPORTER PROTEIN | | Authors: | Oswald, C, Smits, S.H.J, Hoeing, M, Sohn-Boeser, L, Le Rudulier, D, Schmitt, L, Bremer, E. | | Deposit date: | 2007-10-12 | | Release date: | 2008-09-30 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of the choline/acetylcholine substrate-binding protein ChoX from Sinorhizobium meliloti in the liganded and unliganded-closed states.
J.Biol.Chem., 283, 2008
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3B5J
 | | Crystal Structures of the S504A Mutant of an Isolated ABC-ATPase in Complex with TNP-ADP | | Descriptor: | 2',3'-O-[(1R,6R)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate), Alpha-hemolysin translocation ATP-binding protein hlyB | | Authors: | Oswald, C, Jenewein, S, Smits, S.H.J, Holland, I.B, Schmitt, L. | | Deposit date: | 2007-10-26 | | Release date: | 2008-01-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Water-mediated protein-fluorophore interactions modulate the affinity of an ABC-ATPase/TNP-ADP complex
J.Struct.Biol., 162, 2008
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3HCQ
 | | Structural analysis of the choline binding protein ChoX in a semi-closed and ligand-free conformation | | Descriptor: | Putative choline ABC transporter, periplasmic solute-binding component | | Authors: | Oswald, C, Smits, S.H.J, Hoeing, M, Bremer, E, Schmitt, L. | | Deposit date: | 2009-05-06 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structural analysis of the choline-binding protein ChoX in a semi-closed and ligand-free conformation.
Biol.Chem., 390, 2009
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6ZOD
 | | Fusidic acid binding to the allosteric deep transmembrane domain binding pocket, TM7/TM8 groove, and TM1/TM2 groove of the fully induced AcrB T protomer | | Descriptor: | 1,2-ETHANEDIOL, DARPIN, DECANE, ... | | Authors: | Oswald, C, Tam, H.K, Pos, K.M. | | Deposit date: | 2020-07-07 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
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1X13
 | | Crystal structure of E. coli transhydrogenase domain I | | Descriptor: | NAD(P) transhydrogenase subunit alpha | | Authors: | Johansson, T, Oswald, C, Pedersen, A, Tornroth, S, Okvist, M, Karlsson, B.G, Rydstrom, J, Krengel, U. | | Deposit date: | 2005-03-31 | | Release date: | 2005-09-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-ray Structure of Domain I of the Proton-pumping Membrane Protein Transhydrogenase from Escherichia coli
J.Mol.Biol., 352, 2005
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1X14
 | | Crystal structure of E. coli transhydrogenase domain I with bound NAD | | Descriptor: | NAD(P) transhydrogenase subunit alpha, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Johansson, T, Oswald, C, Pedersen, A, Tornroth, S, Okvist, M, Karlsson, B.G, Rydstrom, J, Krengel, U. | | Deposit date: | 2005-03-31 | | Release date: | 2005-09-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | X-ray Structure of Domain I of the Proton-pumping Membrane Protein Transhydrogenase from Escherichia coli
J.Mol.Biol., 352, 2005
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1X15
 | | Crystal structure of E. coli transhydrogenase domain I with bound NADH | | Descriptor: | NAD(P) transhydrogenase subunit alpha, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Johansson, T, Oswald, C, Pedersen, A, Tornroth, S, Okvist, M, Karlsson, B.G, Rydstrom, J, Krengel, U. | | Deposit date: | 2005-03-31 | | Release date: | 2005-09-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | X-ray Structure of Domain I of the Proton-pumping Membrane Protein Transhydrogenase from Escherichia coli
J.Mol.Biol., 352, 2005
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2FF7
 | | The ABC-ATPase of the ABC-transporter HlyB in the ADP bound state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Alpha-hemolysin translocation ATP-binding protein hlyB | | Authors: | Zaitseva, J, Oswald, C, Jumpertz, T, Jenewein, S, Holland, I.B, Schmitt, L. | | Deposit date: | 2005-12-19 | | Release date: | 2006-08-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A structural analysis of asymmetry required for catalytic activity of an ABC-ATPase domain dimer.
Embo J., 25, 2006
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2FGJ
 | | Crystal structure of the ABC-cassette H662A mutant of HlyB with bound ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Alpha-hemolysin translocation ATP-binding protein hlyB | | Authors: | Zaitseva, J, Oswald, C, Jumpertz, T, Jenewein, S, Holland, I.B, Schmitt, L. | | Deposit date: | 2005-12-22 | | Release date: | 2006-08-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A structural analysis of asymmetry required for catalytic activity of an ABC-ATPase domain dimer.
Embo J., 25, 2006
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2FGK
 | | Crystal structure of the ABC-cassette E631Q mutant of HlyB with bound ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Alpha-hemolysin translocation ATP-binding protein hlyB | | Authors: | Zaitseva, J, Oswald, C, Jumpertz, T, Jenewein, S, Holland, I.B, Schmitt, L. | | Deposit date: | 2005-12-22 | | Release date: | 2006-08-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A structural analysis of asymmetry required for catalytic activity of an ABC-ATPase domain dimer.
Embo J., 25, 2006
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2FFA
 | | Crystal structure of ABC-ATPase H662A of the ABC-transporter HlyB in complex with ADP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Alpha-hemolysin translocation ATP-binding protein hlyB | | Authors: | Zaitseva, J, Oswald, C, Jumpertz, T, Jenewein, S, Holland, I.B, Schmitt, L. | | Deposit date: | 2005-12-19 | | Release date: | 2006-08-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A structural analysis of asymmetry required for catalytic activity of an ABC-ATPase domain dimer.
Embo J., 25, 2006
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2FFB
 | | The crystal structure of the HlyB-NBD E631Q mutant in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Alpha-hemolysin translocation ATP-binding protein hlyB | | Authors: | Zaitseva, J, Oswald, C, Jumpertz, T, Jenewein, S, Holland, I.B, Schmitt, L. | | Deposit date: | 2005-12-19 | | Release date: | 2006-08-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A structural analysis of asymmetry required for catalytic activity of an ABC-ATPase domain dimer.
Embo J., 25, 2006
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6ZO5
 | | Fusidic acid binding to the TM1/TM2 groove of AcrB-G619P_G621P | | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, ... | | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | | Deposit date: | 2020-07-07 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
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6ZOF
 | | Fusidic acid binding to the TM7/TM8 groove of AcrB-F380A T protomer | | Descriptor: | DARPIN, DECANE, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ... | | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | | Deposit date: | 2020-07-07 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
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6ZO6
 | | Minocycline binding to the deep binding pocket of AcrB-G619P | | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, ... | | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | | Deposit date: | 2020-07-07 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
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6ZOG
 | | Minocycline binding to the deep binding pocket of AcrB-I38F_I671T | | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, 1,2-ETHANEDIOL, ... | | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | | Deposit date: | 2020-07-07 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
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6ZO8
 | | Minocycline binding to the deep binding pocket of AcrB-G621P | | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, ... | | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | | Deposit date: | 2020-07-07 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
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6ZOE
 | | AcrB-F563A symmetric T protomer | | Descriptor: | 1,2-ETHANEDIOL, DARPIN, DECANE, ... | | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | | Deposit date: | 2020-07-07 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
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6ZO9
 | | Binding of two rifabutins to the access pocket of AcrB-G621P T protomer | | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | | Deposit date: | 2020-07-07 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
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