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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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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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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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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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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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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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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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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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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9D3G
| Cryo-EM structure of CCR6 bound by SQA1 and OXM1 | Descriptor: | 1-(4-chlorophenyl)-N-{[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl}cyclopropane-1-carboxamide, 4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide, CCR6, ... | Authors: | Wasilko, D.J, Wu, H. | Deposit date: | 2024-08-10 | Release date: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | Structural basis for CCR6 modulation by allosteric antagonists. Nat Commun, 15, 2024
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9D3E
| Cryo-EM structure of CCR6 bound by SQA1 and OXM2 | Descriptor: | 4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide, CHOLESTEROL, Human CCR6, ... | Authors: | Wasilko, D.J, Wu, H. | Deposit date: | 2024-08-09 | Release date: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | Structural basis for CCR6 modulation by allosteric antagonists. Nat Commun, 15, 2024
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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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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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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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6ZOB
| 3-Formylrifamycin SV binding to the access pocket of AcrB L protomer | Descriptor: | (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, ... | 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 (2.8 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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