4D5U
 
 | | Structure of OmpF in I2 | | Descriptor: | OUTER MEMBRANE PROTEIN F | | Authors: | Chaptal, V, Kilburg, A, Flot, D, Wiseman, B, Aghajari, N, Jault, J.M, Falson, P. | | Deposit date: | 2014-11-07 | | Release date: | 2015-12-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Two Different Centered Monoclinic Crystals of the E. Coli Outer-Membrane Protein Ompf Originate from the Same Building Block.
Biochim.Biophys.Acta, 1858, 2016
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9GSJ
 | | BmrA E504A in complex with Hoechst33342 | | Descriptor: | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, Multidrug resistance ABC transporter ATP-binding/permease protein BmrA | | Authors: | Moissonnier, L, Zarkadas, E, Schoehn, G, Falson, P, Chaptal, V. | | Deposit date: | 2024-09-16 | | Release date: | 2025-03-05 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Rhodamine6G and Hœchst33342 narrow BmrA conformational spectrum for a more efficient use of ATP.
Nat Commun, 16, 2025
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7BG4
 | | Multidrug resistance transporter BmrA mutant E504A bound with ATP, Mg, and Rhodamine 6G solved by Cryo-EM | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding/permease protein BmrA, ... | | Authors: | Wiseman, B, Chaptal, V, Zampieri, V, Magnard, S, Hogbom, M, Falson, P. | | Deposit date: | 2021-01-05 | | Release date: | 2022-01-12 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Substrate-bound and substrate-free outward-facing structures of a multidrug ABC exporter.
Sci Adv, 8, 2022
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7OW8
 | | CryoEM structure of the ABC transporter BmrA E504A mutant in complex with ATP-Mg | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding/permease protein BmrA | | Authors: | Gobet, A, Schoehn, G, Falson, P, Chaptal, V. | | Deposit date: | 2021-06-17 | | Release date: | 2022-01-19 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Substrate-bound and substrate-free outward-facing structures of a multidrug ABC exporter.
Sci Adv, 8, 2022
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4C3Z
 | | Nucleotide-free crystal structure of nucleotide-binding domain 1 from human MRP1 supports a general-base catalysis mechanism for ATP hydrolysis. | | Descriptor: | MULTIDRUG RESISTANCE-ASSOCIATED PROTEIN 1, SULFATE ION | | Authors: | Chaptal, V, Gueguen-Chaignon, V, Magnard, S, Falson, P, Di Pietro, A, Baubichon-Cortay, H. | | Deposit date: | 2013-08-28 | | Release date: | 2014-09-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Nucleotide-Free Crystal Structure of Nucleotide-Binding Domain 1 from Human Abcc1 Supports a 'General-Base Catalysis' Mechanism for ATP Hydrolysis.
Biochem.Pharm., 3, 2014
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6R72
 | | Crystal structure of BmrA-E504A in an outward-facing conformation | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug exporter ATP-binding cassette | | Authors: | Chaptal, V, Zampieri, V, Kilburg, A, Magnard, S, Falson, P. | | Deposit date: | 2019-03-28 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.95 Å) | | Cite: | Substrate-bound and substrate-free outward-facing structures of a multidrug ABC exporter.
Sci Adv, 8, 2022
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6R81
 | | Multidrug resistance transporter BmrA mutant E504A bound with ATP and Mg solved by Cryo-EM | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Lipid A export ATP-binding/permease protein MsbA, MAGNESIUM ION | | Authors: | Wiseman, B, Chaptal, V, Zampieri, V, Magnard, S, Hogbom, M, Falson, P. | | Deposit date: | 2019-03-30 | | Release date: | 2020-05-06 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Substrate-bound and substrate-free outward-facing structures of a multidrug ABC exporter.
Sci Adv, 8, 2022
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4JFB
 | | Crystal structure of OmpF in C2 with tNCS | | Descriptor: | Outer membrane protein F | | Authors: | Wiseman, B, Kilburg, A, Chaptal, V, Reyes-Meija, G.C, Sarwan, J, Falson, P, Jault, J.M. | | Deposit date: | 2013-02-28 | | Release date: | 2014-03-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.801 Å) | | Cite: | Stubborn contaminants: influence of detergents on the purity of the multidrug ABC transporter BmrA
PLoS ONE, 9, 2014
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8REZ
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8RGA
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8RG7
 | | BmrA E504-R6G-25uMATP-Mg | | Descriptor: | Multidrug resistance ABC transporter ATP-binding/permease protein BmrA, RHODAMINE 6G | | Authors: | Gobet, A, Zarkadas, E, Schoehn, G, Falson, P, Chaptal, V. | | Deposit date: | 2023-12-13 | | Release date: | 2025-01-01 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | BmrA E504-R6G-25uMATPMg
To Be Published
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8RGN
 | | BmrA E504-R6G-70uMATPMg | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding/permease protein BmrA, ... | | Authors: | Gobet, A, Zarkadas, E, Schoehn, G, Falson, P, Chaptal, V. | | Deposit date: | 2023-12-14 | | Release date: | 2025-01-01 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | BmrA E504-R6G-70uMATPMg
To Be Published
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8RF1
 | | BmrA E504-R6G | | Descriptor: | Multidrug resistance ABC transporter ATP-binding/permease protein BmrA, RHODAMINE 6G | | Authors: | Gobet, A, Zarkadas, E, Schoehn, G, Falson, P, Chaptal, V. | | Deposit date: | 2023-12-12 | | Release date: | 2025-01-01 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | BmrA E504-R6G
To Be Published
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8RIA
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8RI1
 | | BmrA E504-100uMATPMg | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding/permease protein BmrA | | Authors: | Gobet, A, Zarkadas, E, Schoehn, G, Falson, P, Chaptal, V. | | Deposit date: | 2023-12-18 | | Release date: | 2025-01-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | BmrA E504-100uMATPMg
To Be Published
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4KSC
 | | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain | | Descriptor: | Multidrug resistance protein 1A | | Authors: | Ward, A, Szewczyk, P, Grimard, V, Lee, C.-W, Martinez, L, Doshi, R, Caya, A, Villaluz, M, Pardon, E, Cregger, C, Swartz, D.J, Falson, P, Urbatsch, I, Govaerts, C, Steyaert, J, Chang, G. | | Deposit date: | 2013-05-17 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4KSB
 | | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain | | Descriptor: | Multidrug resistance protein 1A | | Authors: | Ward, A, Szewczyk, P, Grimard, V, Lee, C.-W, Martinez, L, Doshi, R, Caya, A, Villaluz, M, Pardon, E, Cregger, C, Swartz, D.J, Falson, P, Urbatsch, I, Govaerts, C, Steyaert, J, Chang, G. | | Deposit date: | 2013-05-17 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.8001 Å) | | Cite: | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4KSD
 | | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain | | Descriptor: | Multidrug resistance protein 1A, R2 protein | | Authors: | Ward, A, Szewczyk, P, Grimard, V, Lee, C.-W, Martinez, L, Doshi, R, Caya, A, Villaluz, M, Pardon, E, Cregger, C, Swartz, D.J, Falson, P, Urbatsch, I, Govaerts, C, Steyaert, J, Chang, G. | | Deposit date: | 2013-05-17 | | Release date: | 2013-07-31 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (4.1001 Å) | | Cite: | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain.
Proc.Natl.Acad.Sci.USA, 110, 2013
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8CHB
 | | Inward-facing conformation of the ABC transporter BmrA C436S/A582C cross-linked mutant | | Descriptor: | Multidrug resistance ABC transporter ATP-binding/permease protein BmrA | | Authors: | Di Cesare, M, Kaplan, E, Hanssen, E, Valimehr, S, Orelle, C, Jault, J.M. | | Deposit date: | 2023-02-07 | | Release date: | 2023-12-20 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | The transport activity of the multidrug ABC transporter BmrA does not require a wide separation of the nucleotide-binding domains.
J.Biol.Chem., 300, 2023
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8QOE
 | | Inward-facing conformation of the ABC transporter BmrA | | Descriptor: | Multidrug resistance ABC transporter ATP-binding/permease protein BmrA | | Authors: | Di Cesare, M, Kaplan, E, Valimehr, S, Hanssen, E, Orelle, C, Jault, J.M. | | Deposit date: | 2023-09-28 | | Release date: | 2023-12-20 | | Last modified: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | The transport activity of the multidrug ABC transporter BmrA does not require a wide separation of the nucleotide-binding domains.
J.Biol.Chem., 300, 2023
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5O6X
 | | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor | | Descriptor: | (4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S. | | Deposit date: | 2017-06-07 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
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5O43
 | | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor. | | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, 2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Bertoletti, N, Heine, A, Braun, F, Klebe, G, Marchais-Oberwinkler, S. | | Deposit date: | 2017-05-25 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
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5O6O
 | | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor | | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, 2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Bertoletti, N, Heine, A, Braun, F, Klebe, G, Marchais-Oberwinkler, S. | | Deposit date: | 2017-06-07 | | Release date: | 2018-06-06 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
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5O7C
 | | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor | | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, 2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S. | | Deposit date: | 2017-06-08 | | Release date: | 2018-06-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
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5O6Z
 | | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor | | Descriptor: | (4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S. | | Deposit date: | 2017-06-07 | | Release date: | 2018-06-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
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