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5JMN
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BU of 5jmn by Molmil
Fusidic acid bound AcrB
分子名称: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15-PENTAOXAHEPTADECANE, DARPin, ...
著者Oswald, C, Tam, H.K, Pos, K.M.
登録日2016-04-29
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Transport of lipophilic carboxylates is mediated by transmembrane helix 2 in multidrug transporter AcrB.
Nat Commun, 7, 2016
3B5J
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BU of 3b5j by Molmil
Crystal Structures of the S504A Mutant of an Isolated ABC-ATPase in Complex with TNP-ADP
分子名称: 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
著者Oswald, C, Jenewein, S, Smits, S.H.J, Holland, I.B, Schmitt, L.
登録日2007-10-26
公開日2008-01-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Water-mediated protein-fluorophore interactions modulate the affinity of an ABC-ATPase/TNP-ADP complex
J.Struct.Biol., 162, 2008
5LWE
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BU of 5lwe by Molmil
Crystal structure of the human CC chemokine receptor type 9 (CCR9) in complex with vercirnon
分子名称: C-C chemokine receptor type 9, CHOLESTEROL, MALONATE ION, ...
著者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.
登録日2016-09-16
公開日2016-12-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Intracellular allosteric antagonism of the CCR9 receptor.
Nature, 540, 2016
2PMK
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BU of 2pmk by Molmil
Crystal structures of an isolated ABC-ATPase in complex with TNP-ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Alpha-hemolysin translocation ATP-binding protein hlyB, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE
著者Oswald, C, Jenewein, S, Holland, I.B, Schmitt, L.
登録日2007-04-23
公開日2008-02-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Water-mediated protein-fluorophore interactions modulate the affinity of an ABC-ATPase/TNP-ADP complex
J.Struct.Biol., 162, 2008
2REJ
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BU of 2rej by Molmil
ABC-transporter choline binding protein in unliganded semi-closed conformation
分子名称: PUTATIVE GLYCINE BETAINE ABC TRANSPORTER PROTEIN
著者Oswald, C, Smits, S.H.J, Hoeing, M, Sohn-Boeser, L, Le Rudulier, D, Schmitt, L, Bremer, E.
登録日2007-09-26
公開日2008-09-16
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
2REG
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BU of 2reg by Molmil
ABC-transporter choline binding protein in complex with choline
分子名称: CHOLINE ION, PUTATIVE GLYCINE BETAINE-BINDING ABC TRANSPORTER PROTEIN
著者Oswald, C, Schimtt, L, Smits, S.H.J, Hoeing, M, Sohn-Boeser, L, Bremer, E.
登録日2007-09-26
公開日2008-09-16
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
2RF1
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BU of 2rf1 by Molmil
Crystal structure of ChoX in an unliganded closed conformation
分子名称: PUTATIVE GLYCINE BETAINE-BINDING ABC TRANSPORTER PROTEIN
著者Oswald, C, Smits, S.H.J, Hoeing, M, Sohn-Boeser, L, Le Rudulier, D, Schmitt, L, Bremer, E.
登録日2007-09-27
公開日2008-09-16
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
2RIN
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BU of 2rin by Molmil
ABC-transporter choline binding protein in complex with acetylcholine
分子名称: ACETYLCHOLINE, PUTATIVE GLYCINE BETAINE-BINDING ABC TRANSPORTER PROTEIN
著者Oswald, C, Smits, S.H.J, Hoeing, M, Sohn-Boeser, L, Le Rudulier, D, Schmitt, L, Bremer, E.
登録日2007-10-12
公開日2008-09-30
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
3HCQ
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BU of 3hcq by Molmil
Structural analysis of the choline binding protein ChoX in a semi-closed and ligand-free conformation
分子名称: Putative choline ABC transporter, periplasmic solute-binding component
著者Oswald, C, Smits, S.H.J, Hoeing, M, Bremer, E, Schmitt, L.
登録日2009-05-06
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structural analysis of the choline-binding protein ChoX in a semi-closed and ligand-free conformation.
Biol.Chem., 390, 2009
6ZOD
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BU of 6zod by Molmil
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
分子名称: 1,2-ETHANEDIOL, DARPIN, DECANE, ...
著者Oswald, C, Tam, H.K, Pos, K.M.
登録日2020-07-07
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
2FGK
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BU of 2fgk by Molmil
Crystal structure of the ABC-cassette E631Q mutant of HlyB with bound ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Alpha-hemolysin translocation ATP-binding protein hlyB
著者Zaitseva, J, Oswald, C, Jumpertz, T, Jenewein, S, Holland, I.B, Schmitt, L.
登録日2005-12-22
公開日2006-08-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A structural analysis of asymmetry required for catalytic activity of an ABC-ATPase domain dimer.
Embo J., 25, 2006
2FFA
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BU of 2ffa by Molmil
Crystal structure of ABC-ATPase H662A of the ABC-transporter HlyB in complex with ADP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Alpha-hemolysin translocation ATP-binding protein hlyB
著者Zaitseva, J, Oswald, C, Jumpertz, T, Jenewein, S, Holland, I.B, Schmitt, L.
登録日2005-12-19
公開日2006-08-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A structural analysis of asymmetry required for catalytic activity of an ABC-ATPase domain dimer.
Embo J., 25, 2006
2FFB
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BU of 2ffb by Molmil
The crystal structure of the HlyB-NBD E631Q mutant in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Alpha-hemolysin translocation ATP-binding protein hlyB
著者Zaitseva, J, Oswald, C, Jumpertz, T, Jenewein, S, Holland, I.B, Schmitt, L.
登録日2005-12-19
公開日2006-08-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A structural analysis of asymmetry required for catalytic activity of an ABC-ATPase domain dimer.
Embo J., 25, 2006
1X13
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BU of 1x13 by Molmil
Crystal structure of E. coli transhydrogenase domain I
分子名称: NAD(P) transhydrogenase subunit alpha
著者Johansson, T, Oswald, C, Pedersen, A, Tornroth, S, Okvist, M, Karlsson, B.G, Rydstrom, J, Krengel, U.
登録日2005-03-31
公開日2005-09-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray Structure of Domain I of the Proton-pumping Membrane Protein Transhydrogenase from Escherichia coli
J.Mol.Biol., 352, 2005
1X14
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BU of 1x14 by Molmil
Crystal structure of E. coli transhydrogenase domain I with bound NAD
分子名称: NAD(P) transhydrogenase subunit alpha, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Johansson, T, Oswald, C, Pedersen, A, Tornroth, S, Okvist, M, Karlsson, B.G, Rydstrom, J, Krengel, U.
登録日2005-03-31
公開日2005-09-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献X-ray Structure of Domain I of the Proton-pumping Membrane Protein Transhydrogenase from Escherichia coli
J.Mol.Biol., 352, 2005
1X15
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BU of 1x15 by Molmil
Crystal structure of E. coli transhydrogenase domain I with bound NADH
分子名称: NAD(P) transhydrogenase subunit alpha, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Johansson, T, Oswald, C, Pedersen, A, Tornroth, S, Okvist, M, Karlsson, B.G, Rydstrom, J, Krengel, U.
登録日2005-03-31
公開日2005-09-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献X-ray Structure of Domain I of the Proton-pumping Membrane Protein Transhydrogenase from Escherichia coli
J.Mol.Biol., 352, 2005
2FF7
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BU of 2ff7 by Molmil
The ABC-ATPase of the ABC-transporter HlyB in the ADP bound state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Alpha-hemolysin translocation ATP-binding protein hlyB
著者Zaitseva, J, Oswald, C, Jumpertz, T, Jenewein, S, Holland, I.B, Schmitt, L.
登録日2005-12-19
公開日2006-08-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A structural analysis of asymmetry required for catalytic activity of an ABC-ATPase domain dimer.
Embo J., 25, 2006
2FGJ
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BU of 2fgj by Molmil
Crystal structure of the ABC-cassette H662A mutant of HlyB with bound ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Alpha-hemolysin translocation ATP-binding protein hlyB
著者Zaitseva, J, Oswald, C, Jumpertz, T, Jenewein, S, Holland, I.B, Schmitt, L.
登録日2005-12-22
公開日2006-08-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A structural analysis of asymmetry required for catalytic activity of an ABC-ATPase domain dimer.
Embo J., 25, 2006
6ZO8
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BU of 6zo8 by Molmil
Minocycline binding to the deep binding pocket of AcrB-G621P
分子名称: (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, ...
著者Tam, H.K, Foong, W.E, Pos, K.M.
登録日2020-07-07
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6ZO5
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BU of 6zo5 by Molmil
Fusidic acid binding to the TM1/TM2 groove of AcrB-G619P_G621P
分子名称: (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, ...
著者Tam, H.K, Foong, W.E, Pos, K.M.
登録日2020-07-07
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6ZO9
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Binding of two rifabutins to the access pocket of AcrB-G621P T protomer
分子名称: (2S)-3-hydroxypropane-1,2-diyl didecanoate, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Tam, H.K, Foong, W.E, Pos, K.M.
登録日2020-07-07
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6ZO6
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BU of 6zo6 by Molmil
Minocycline binding to the deep binding pocket of AcrB-G619P
分子名称: (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, ...
著者Tam, H.K, Foong, W.E, Pos, K.M.
登録日2020-07-07
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6ZOB
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3-Formylrifamycin SV binding to the access pocket of AcrB L protomer
分子名称: (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, 1,2-ETHANEDIOL, ...
著者Tam, H.K, Foong, W.E, Pos, K.M.
登録日2020-07-07
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6ZO7
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BU of 6zo7 by Molmil
3-Formylrifamycin SV binding to the access pocket of AcrB-G619P L and T protomer
分子名称: (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Tam, H.K, Foong, W.E, Pos, K.M.
登録日2020-07-07
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6ZOF
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Fusidic acid binding to the TM7/TM8 groove of AcrB-F380A T protomer
分子名称: DARPIN, DECANE, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ...
著者Tam, H.K, Foong, W.E, Pos, K.M.
登録日2020-07-07
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021

 

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