4U8Y
| Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB | Descriptor: | (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, DARPin, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Pos, K.M. | Deposit date: | 2014-08-05 | Release date: | 2014-10-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB. Elife, 3, 2014
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4U95
| Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB | Descriptor: | (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, DARPin, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Pos, K.M. | Deposit date: | 2014-08-05 | Release date: | 2014-10-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB eLife, 3, 2014
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4U8V
| Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB | Descriptor: | (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, DARPin, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Pos, K.M. | Deposit date: | 2014-08-04 | Release date: | 2014-10-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB. Elife, 3, 2014
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4U96
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2GIF
| Asymmetric structure of trimeric AcrB from Escherichia coli | Descriptor: | Acriflavine resistance protein B, CITRATE ANION | Authors: | Seeger, M.A, Schiefner, A, Eicher, T, Verrey, F, Diederichs, K, Pos, K.M. | Deposit date: | 2006-03-28 | Release date: | 2006-09-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Asymmetry of AcrB Trimer Suggests a Peristaltic Pump Mechanism. Science, 313, 2006
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7B8R
| Doxycycline bound structure of bacterial efflux pump. | Descriptor: | (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE, DARPin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wilhelm, J, Sjuts, H, Pos, K.M. | Deposit date: | 2020-12-13 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and functional analysis of the promiscuous AcrB and AdeB efflux pumps suggests different drug binding mechanisms. Nat Commun, 12, 2021
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7B8S
| Fusidic acid bound structure of bacterial efflux pump. | Descriptor: | DARPin, FUSIDIC ACID, Multidrug efflux pump subunit AcrB,Multidrug efflux pump subunit AcrB | Authors: | Wilhelm, J, Sjuts, H, Pos, K.M. | Deposit date: | 2020-12-13 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional analysis of the promiscuous AcrB and AdeB efflux pumps suggests different drug binding mechanisms. Nat Commun, 12, 2021
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7B8T
| Levofloxacin bound structure of bacterial efflux pump. | Descriptor: | (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, DARPin, Multidrug efflux pump subunit AcrB,Multidrug efflux pump subunit AcrB | Authors: | Wilhelm, J, Sjuts, H, Pos, K.M. | Deposit date: | 2020-12-13 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and functional analysis of the promiscuous AcrB and AdeB efflux pumps suggests different drug binding mechanisms. Nat Commun, 12, 2021
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7B8P
| Acinetobacter baumannii multidrug transporter AdeB in OOO state | Descriptor: | Efflux pump membrane transporter | Authors: | Ornik-Cha, A, Reitz, J, Seybert, A, Frangakis, A, Pos, K.M. | Deposit date: | 2020-12-13 | Release date: | 2021-10-20 | Last modified: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Structural and functional analysis of the promiscuous AcrB and AdeB efflux pumps suggests different drug binding mechanisms. Nat Commun, 12, 2021
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7B8Q
| Acinetobacter baumannii multidrug transporter AdeB in L*OO state | Descriptor: | Efflux pump membrane transporter | Authors: | Ornik-Cha, A, Reitz, J, Seybert, A, Frangakis, A, Pos, K.M. | Deposit date: | 2020-12-13 | Release date: | 2021-10-20 | Last modified: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (3.84 Å) | Cite: | Structural and functional analysis of the promiscuous AcrB and AdeB efflux pumps suggests different drug binding mechanisms. Nat Commun, 12, 2021
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2HRT
| Asymmetric structure of trimeric AcrB from Escherichia coli | Descriptor: | Acriflavine resistance protein B, CITRATE ANION | Authors: | Seeger, M.A, Schiefner, A, Eicher, T, Verrey, F, Diederichs, K, Pos, K.M. | Deposit date: | 2006-07-20 | Release date: | 2006-09-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Asymmetry of AcrB Trimer Suggests a Peristaltic Pump Mechanism. Science, 313, 2006
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8P1I
| Single particle cryo-EM co-structure of Klebsiella pneumoniae AcrB with the BDM91288 efflux pump inhibitor at 2.97 Angstrom resolution | Descriptor: | 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL), 3-chloranyl-2,6-di(piperazin-4-ium-1-yl)quinoline, Efflux pump membrane transporter, ... | Authors: | Boernsen, C, Mueller, R.T, Pos, K.M, Frangakis, A.S. | Deposit date: | 2023-05-12 | Release date: | 2024-01-17 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Pyridylpiperazine efflux pump inhibitor boosts in vivo antibiotic efficacy against K. pneumoniae. Embo Mol Med, 16, 2024
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4DX7
| Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop | Descriptor: | Acriflavine resistance protein B, DARPIN, DECANE, ... | Authors: | Eicher, T, Cha, H, Seeger, M.A, Brandstaetter, L, El-Delik, J, Bohnert, J.A, Kern, W.V, Verrey, F, Gruetter, M.G, Diederichs, K, Pos, K.M. | Deposit date: | 2012-02-27 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.253 Å) | Cite: | Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop. Proc.Natl.Acad.Sci.USA, 109, 2012
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4DX6
| Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop | Descriptor: | Acriflavine resistance protein B, DARPIN, DODECYL-BETA-D-MALTOSIDE | Authors: | Eicher, T, Cha, H, Seeger, M.A, Brandstaetter, L, El-Delik, J, Bohnert, J.A, Kern, W.V, Verrey, F, Gruetter, M.G, Diederichs, K, Pos, K.M. | Deposit date: | 2012-02-27 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop. Proc.Natl.Acad.Sci.USA, 109, 2012
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4DX5
| Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop | Descriptor: | (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, Acriflavine resistance protein B, DARPIN, ... | Authors: | Eicher, T, Cha, H, Seeger, M.A, Brandstaetter, L, El-Delik, J, Bohnert, J.A, Kern, W.V, Verrey, F, Gruetter, M.G, Diederichs, K, Pos, K.M. | Deposit date: | 2012-02-27 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop. Proc.Natl.Acad.Sci.USA, 109, 2012
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6RX9
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6RXB
| Crystal structure of TetR-Q116A from Acinetobacter baumannii AYE in complex with minocycline | Descriptor: | (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, CHLORIDE ION, ... | Authors: | Tam, H.K, Himpich, S, Pos, K.M. | Deposit date: | 2019-06-07 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Binding of Tetracyclines to Acinetobacter baumannii TetR Involves Two Arginines as Specificity Determinants Front Microbiol, 2021
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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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5MKK
| Crystal structure of the heterodimeric ABC transporter TmrAB, a homolog of the antigen translocation complex TAP | Descriptor: | Multidrug resistance ABC transporter ATP-binding and permease protein, SULFATE ION | Authors: | Noell, A, Thomas, C, Tomasiak, T.M, Olieric, V, Wang, M, Diederichs, K, Stroud, R.M, Pos, K.M, Tampe, R. | Deposit date: | 2016-12-05 | Release date: | 2017-01-18 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure and mechanistic basis of a functional homolog of the antigen transporter TAP. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6Q4P
| Fusidic acid bound AcrB_N298A | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CHLORIDE ION, ... | Authors: | Tam, H.K, Pos, K.M. | Deposit date: | 2018-12-06 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding and Transport of Carboxylated Drugs by the Multidrug Transporter AcrB. J.Mol.Biol., 432, 2020
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6EUQ
| MdfA(Q131R/L339E) | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, ACETATE ION, HEXANE, ... | Authors: | Tam, H.K, Zomot, E, Bibi, E, Pos, K.M. | Deposit date: | 2017-10-31 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A New Critical Conformational Determinant of Multidrug Efflux by an MFS Transporter. J. Mol. Biol., 430, 2018
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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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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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