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8qzt

Single particle cryo-EM co-structure of E. coli AcrB with bound BDM91531 inhibitor at 3.52 A resolution

Method: ELECTRON MICROSCOPY Dmax: 144.7 Å Quality: REASONABLE
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Multidrug efflux pump subunit AcrB

Escherichia coli K-12

UniProt P31224

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein homooligomer Homooligomer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain A； UniProt 1–1049 Chain B； UniProt 1–1049 Chain C； UniProt 1–1049 Not recorded XE9 [3-(3-chloranyl-2-piperazin-1-yl-quinolin-6-yl)phenyl]methanamine × 2 ELECTRON MICROSCOPY cryo-EM buffer：pH 7.5 cryo-EM vitrification conditions：Cryogen ETHANE Resolution 3.52 Å

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 8QZT Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1IWG Crystal structure of Bacterial Multidrug Efflux transporter AcrB Deposited 2002-05-15 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.1；298 K；PEG 2000, Sodium phosphate, sodium citrate, glycerol, dodecyl maltoside, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 3.50 Å R-free 0.355
1OY6 Structural Basis of the Multiple Binding Capacity of the AcrB Multidrug Efflux Pump Deposited 2003-04-03 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.68 Å R-free 0.330
1OY8 Structural Basis of Multiple Drug Binding Capacity of the AcrB Multidrug Efflux Pump Deposited 2003-04-03 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Not recorded RHQ RHODAMINE 6G × 3 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.63 Å R-free 0.322
1OY9 Structural Basis of Multiple Drug Binding Capacity of the AcrB Multidrug Efflux Pump Deposited 2003-04-03 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Not recorded ET ETHIDIUM × 3 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.80 Å R-free 0.344
1OYD Structural Basis of Multiple Binding Capacity of the AcrB multidrug Efflux Pump Deposited 2003-04-03 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Not recorded DEQ DEQUALINIUM × 3 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.80 Å R-free 0.338
1OYE Structural Basis of Multiple Binding Capacity of the AcrB multidrug Efflux Pump Deposited 2003-04-03 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Not recorded CPF 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID × 3 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.48 Å R-free 0.323
1T9T Structural Basis of Multidrug transport by the AcrB Multidrug Efflux Pump Deposited 2004-05-18 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Mutation：N109A No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.23 Å R-free 0.338
1T9U Structural Basis of Multidrug Transport by the AcrB Multidrug Efflux Pump Deposited 2004-05-18 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Mutation：N109A CPF 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.11 Å R-free 0.335
1T9V Structural Basis of Multidrug Transport by the AcrB Multidrug Efflux Pump Deposited 2004-05-18 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Mutation：N109A RHQ RHODAMINE 6G × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.80 Å R-free 0.331
1T9W Structural Basis of Multidrug Transport by the AcrB Multidrug Efflux Pump Deposited 2004-05-18 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Mutation：N109A NFN 6-[[(2-ETHOXY-1-NAPHTHALENYL)CARBONYL]AMINO]-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.23 Å R-free 0.349
1T9X Structural Basis of Multidrug Transport by the AcrB Multidrug Efflux Pump Deposited 2004-05-19 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Mutation：N109A ET ETHIDIUM × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.08 Å R-free 0.359
1T9Y Structural Basis of Multidrug Transport by the AcrB Multidrug Efflux Pump Deposited 2004-05-19 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Mutation：N109A MC2 N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-L-ARIGNINAMIDE × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.64 Å R-free 0.340
2DHH Crystal structure of a multidrug transporter reveal a functionally rotating mechanism Deposited 2006-03-23 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；PEG4000, PH 6.1, VAPOR DIFFUSION, SITTING DROP
Resolution 2.80 Å R-free 0.307
2DR6 Crystal structure of a multidrug transporter reveal a functionally rotating mechanism Deposited 2006-06-08 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded DM2 DOXORUBICIN × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.1；PEG4000, PH 6.1, VAPOR DIFFUSION, SITTING DROP
Resolution 3.30 Å R-free 0.359
2DRD Crystal structure of a multidrug transporter reveal a functionally rotating mechanism Deposited 2006-06-08 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded MIY (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 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.1；PEG4000, PH 6.1, VAPOR DIFFUSION, SITTING DROP
Resolution 3.10 Å R-free 0.310
2GIF Asymmetric structure of trimeric AcrB from Escherichia coli Deposited 2006-03-28 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded FLC CITRATE ANION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4.6；290 K；5% PEG 400, 16-22% PEG 300, 8-11% glycerol, 70mM sodium citrate, pH 4.6, VAPOR DIFFUSION, temperature 290K
Resolution 2.90 Å R-free 0.267
2HQC Conformation of the AcrB Multidrug Efflux Pump in Mutants of the Putative Proton Relay Pathway Deposited 2006-07-18 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Mutation：D407A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；pH 5.6, vapor diffusion Hanging-drop, temperature 298K
Resolution 3.56 Å R-free 0.294
2HQD Conformation of the AcrB Multidrug Efflux Pump in Mutants of the Putative Proton Relay Pathway Deposited 2006-07-18 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Mutation：D408A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.65 Å R-free 0.303
2HQF Conformation of the AcrB Multidrug Efflux Pump in Mutants of the Putative Proton Relay Pathway Deposited 2006-07-18 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Mutation：K940A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.38 Å R-free 0.280
2HQG Conformation of the AcrB Multidrug Efflux Pump in Mutants of the Putative Proton Relay Pathway Deposited 2006-07-18 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Mutation：T978A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；pH 5.6, vapor diffusion Hanging drop, temperature 298K
Resolution 3.38 Å R-free 0.275
2HRT Asymmetric structure of trimeric AcrB from Escherichia coli Deposited 2006-07-20 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded FLC CITRATE ANION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.6；290 K；5 % polyethylene glycol 400, 16-22 % polyethylene glycol 300, 8-11 % glycerol, 70 mM Nacitrate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K, pH 4.60
Resolution 3.00 Å R-free 0.274
2HRT Asymmetric structure of trimeric AcrB from Escherichia coli Deposited 2006-07-20 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain D 1–1049（1049 aa）
Chain E 1–1049（1049 aa）
Chain F 1–1049（1049 aa）
Not recorded FLC CITRATE ANION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.6；290 K；5 % polyethylene glycol 400, 16-22 % polyethylene glycol 300, 8-11 % glycerol, 70 mM Nacitrate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K, pH 4.60
Resolution 3.00 Å R-free 0.274
2I6W Crystal structure of the multidrug efflux transporter AcrB Deposited 2006-08-29 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.1 M HEPES pH 7.5, 0.1 M Sodium chloride, 0.1 M Lithium sulfate, 12% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 3.10 Å R-free 0.341
2J8S Drug Export Pathway of Multidrug Exporter AcrB Revealed by DARPin Inhibitors Deposited 2006-10-27 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 10 LMU DODECYL-ALPHA-D-MALTOSIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；50MM ADA PH 6.5, 200MM (NH4)2SO4, 8% PEG4000
Resolution 2.54 Å R-free 0.271
2RDD X-ray crystal structure of AcrB in complex with a novel transmembrane helix. Deposited 2007-09-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 1–1036（1036 aa）
Not recorded AIC (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；14-28% PEG1000 or PEG1500, 0.1M Tris, 0.1M LiSO4, 18mM n-Octyl-beta-D-Thioglucopyranoside and 20% 1,2,3-heptanetriol as an additive, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.50 Å R-free 0.317
2W1B The structure of the efflux pump AcrB in complex with bile acid Deposited 2008-10-17 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Not recorded DXC (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；10% PEG 4000, 0.1 M HEPES PH 7.5, 0.1 M AMMONIUM SULPHATE AND 22% V/V GLYCEROL
Resolution 3.85 Å R-free 0.349
3AOA Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket Deposited 2010-09-23 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.4；298 K；20mM sodium phosphate, 100mM NaCl, 14 %(w/v) PEG 4000, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 3.35 Å R-free 0.326
3AOB Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket Deposited 2010-09-23 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded RFP RIFAMPICIN × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.4；298 K；20mM sodium phosphate, 100mM NaCl, 14 %(w/v) PEG 4000, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 3.35 Å R-free 0.326
3AOC Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket Deposited 2010-09-23 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded ERY ERYTHROMYCIN A × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.4；298 K；220mM sodium phosphate, 100mM NaCl, 14 %(w/v)PEG 4000, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 3.34 Å R-free 0.344
3AOD Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket Deposited 2010-09-23 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded MIY (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 RFP RIFAMPICIN × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.4；298 K；20mM sodium phosphate, 100mM NaCl, 14 %(w/v) PEG 4000, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 3.30 Å R-free 0.318
3D9B Symmetric structure of E. coli AcrB Deposited 2008-05-27 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Not recorded NI NICKEL (II) ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；293 K；0.1M MES, 31% PEG 400, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.42 Å R-free 0.355
3NOC Designed ankyrin repeat protein (DARPin) binders to AcrB: Plasticity of the Interface Deposited 2010-06-25 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；PEG4000, (NH4)2SO4, ADA, pH 6.5, vapor diffusion, sitting drop, temperature 293K
Resolution 2.70 Å R-free 0.268
3NOG Designed ankyrin repeat protein (DARPin) Binders to AcrB: Plasticity of the Interface Deposited 2010-06-25 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；PEG4000, (NH4)2SO4, ADA, pH 6.5, vapor diffusion, sitting drop, temperature 293K
Resolution 3.34 Å R-free 0.307
3W9H Structural basis for the inhibition of bacterial multidrug exporters Deposited 2013-04-04 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1033（1033 aa） Fragment：UNP residues 1-1033
Chain B 1–1033（1033 aa） Fragment：UNP residues 1-1033
Chain C 1–1033（1033 aa） Fragment：UNP residues 1-1033
Not recorded P9D [{2-[({[(3R)-1-{8-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-4-oxo-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidin-3-yl]oxy}carbonyl)amino]ethyl}(dimethyl)ammonio]acetate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.4；298 K；20mM sodium phosphate, 100mM NaCl, 14% PEG 4000, 32ug/ml ABI-PP, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K
Resolution 3.05 Å R-free 0.317
4C48 Crystal structure of AcrB-AcrZ complex Deposited 2013-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 9 PDB declaration: nonameric
Chain A 1–1047（1047 aa） Fragment：RESIDUES 1-1047
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 27 NI NICKEL (II) ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；CRYSTALLISATION SOLUTION 100 MM HEPES, PH 7.5, 10 MM MGCL2 AND 12% (W/V) PEG 3350. SAMPLE BUFFER 10 MM HEPES PH: 7.5, 50 MM SODIUM CHLORIDE, 0.03% DDM N-DODECYL BETA-D-MALTOPYRANOSIDE
Resolution 3.30 Å R-free 0.322
4CDI Crystal structure of AcrB-AcrZ complex Deposited 2013-10-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 1–1049（1049 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；THE ACRBZ COMPLEX AT 10 MG ML-1 USING SAMPLE BUFFER. 9 MM N-OCTYL-BETA-D-THIOGLUCOPYRANOSIDE (90 MM) WAS MIXED WITH ACRBZ COMPLEX BEFORE THE CRYSTALLISATION TRIALS. THE ACRBZ CRYSTALS WERE GROWN AT 20 C USING THE HANGING-DROPLET VAPOUR DIFFUSION METHOD BY MIXING 4 MICROLITERS OF ACRBZ COMPLEX WITH 2 MICROLITERS OF RESERVOIR SOLUTION (100 MM TRICINE PH: 7.4, 50 MM LITHIUM SULPHATE, 5 MM CADMIUM CHLORIDE HYDRATE, 7 % PEG 3000, 10% GLYCEROL).
Resolution 3.70 Å R-free 0.361
4DX5 Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop Deposited 2012-02-27 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded GOL GLYCEROL × 15 LMT DODECYL-BETA-D-MALTOSIDE × 8 OCT N-OCTANE × 7 D10 DECANE × 6 HEX HEXANE × 5 D12 DODECANE × 4 MIY (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 C14 TETRADECANE × 1 LMU DODECYL-ALPHA-D-MALTOSIDE × 1 DD9 nonane × 1 SO4 SULFATE ION × 1 UND UNDECANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；0.05M ADA, pH 6.5, 0.2M ammonium sulfate, 7% PEG 4000, 6% glycerol, 0.002M minocycline, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 1.90 Å R-free 0.231
4DX6 Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop Deposited 2012-02-27 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；0.05M ADA, pH 6.5 0.2M ammonium sulfate 9% PEG 4000 6% glycerol , VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.90 Å R-free 0.270
4DX7 Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop Deposited 2012-02-27 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 7 DM2 DOXORUBICIN × 3 D12 DODECANE × 4 D10 DECANE × 4 LMU DODECYL-ALPHA-D-MALTOSIDE × 1 GOL GLYCEROL × 3 HEX HEXANE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；0.025M ADA, pH 6.5, 0.2M ammonium sulfate, 7.66% PEG 4000, 8.8% glycerol, 0.004M doxorubicin, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.25 Å R-free 0.227
4K7Q Crystal Structure of AcrB Complexed with Linezolid at 3.5 Resolution Deposited 2013-04-17 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Not recorded ZLD N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.2；298 K；0.1M NaCl 8% PEG 4k 0.1M NaPhosphate pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 3.50 Å R-free 0.304
4U8V Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB Deposited 2014-08-04 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: Pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Mutation：D407N Mutation：D407N Mutation：D407N LMT DODECYL-BETA-D-MALTOSIDE × 5 MIY (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 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；0.05M ADA, pH 6.5, 0.2 M (NH4)2SO4, 8% PEG4000, 10% Glycerol
Resolution 2.30 Å R-free 0.238
4U8Y Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB Deposited 2014-08-05 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 4 MIY (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 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；0.05M ADA, pH 6.5, 0.2 M (NH4)2SO4, 7% PEG4000, 8% Glycerol
Resolution 2.10 Å R-free 0.236
4U95 Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB Deposited 2014-08-05 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Mutation：K940A Mutation：K940A Mutation：K940A LMT DODECYL-BETA-D-MALTOSIDE × 3 MIY (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 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；290 K；0.05M ADA, pH 6.5, 0.2 M (NH4)2SO4, 8% PEG4000, 6% Glycerol
Resolution 2.00 Å R-free 0.237
4U96 Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB Deposited 2014-08-05 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Mutation：R971A Mutation：R971A Mutation：R971A LMT DODECYL-BETA-D-MALTOSIDE × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；0.05M ADA, pH 6.5, 0.2 M (NH4)2SO4, 9% PEG4000, 7.3% Glycerol
Resolution 2.20 Å R-free 0.246
4ZIT Crystal structure of AcrB in P21 space group Deposited 2015-04-28 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 3 NI NICKEL (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
Resolution 3.30 Å R-free 0.339
4ZIT Crystal structure of AcrB in P21 space group Deposited 2015-04-28 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain D 1–1049（1049 aa）
Chain E 1–1049（1049 aa）
Chain F 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 3 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
Resolution 3.30 Å R-free 0.339
4ZIV Crystal structure of AcrB triple mutant in P21 space group Deposited 2015-04-28 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 3 NI NICKEL (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
Resolution 3.16 Å R-free 0.335
4ZIV Crystal structure of AcrB triple mutant in P21 space group Deposited 2015-04-28 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain D 1–1049（1049 aa）
Chain E 1–1049（1049 aa）
Chain F 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 3 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
Resolution 3.16 Å R-free 0.335
4ZIW Crystal structure of AcrB deletion mutant in P21 space group Deposited 2015-04-28 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 3 NI NICKEL (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
Resolution 3.40 Å R-free 0.349
4ZIW Crystal structure of AcrB deletion mutant in P21 space group Deposited 2015-04-28 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain D 1–1049（1049 aa）
Chain E 1–1049（1049 aa）
Chain F 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 3 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
Resolution 3.40 Å R-free 0.349
4ZJL Crystal structure of AcrB in complex with antibiotic in P21 space group Deposited 2015-04-29 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded ERY ERYTHROMYCIN A × 1 LMT DODECYL-BETA-D-MALTOSIDE × 4 NI NICKEL (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
Resolution 3.47 Å R-free 0.321
4ZJL Crystal structure of AcrB in complex with antibiotic in P21 space group Deposited 2015-04-29 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain D 1–1049（1049 aa）
Chain E 1–1049（1049 aa）
Chain F 1–1049（1049 aa）
Not recorded ERY ERYTHROMYCIN A × 1 LMT DODECYL-BETA-D-MALTOSIDE × 4 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
Resolution 3.47 Å R-free 0.321
4ZJO Crystal structure of AcrB triple mutant in complex with antibiotic in P21 space group Deposited 2015-04-29 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded ERY ERYTHROMYCIN A × 1 LMT DODECYL-BETA-D-MALTOSIDE × 4 NI NICKEL (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
Resolution 3.60 Å R-free 0.307
4ZJO Crystal structure of AcrB triple mutant in complex with antibiotic in P21 space group Deposited 2015-04-29 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain D 1–1049（1049 aa）
Chain E 1–1049（1049 aa）
Chain F 1–1049（1049 aa）
Not recorded ERY ERYTHROMYCIN A × 1 LMT DODECYL-BETA-D-MALTOSIDE × 4 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
Resolution 3.60 Å R-free 0.307
4ZJQ Crystal structure of AcrB deletion mutant in complex with antibiotic in P21 space group Deposited 2015-04-29 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded ERY ERYTHROMYCIN A × 1 LMT DODECYL-BETA-D-MALTOSIDE × 4 NI NICKEL (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
Resolution 3.59 Å R-free 0.319
4ZJQ Crystal structure of AcrB deletion mutant in complex with antibiotic in P21 space group Deposited 2015-04-29 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain D 1–1049（1049 aa）
Chain E 1–1049（1049 aa）
Chain F 1–1049（1049 aa）
Not recorded ERY ERYTHROMYCIN A × 1 LMT DODECYL-BETA-D-MALTOSIDE × 4 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
Resolution 3.59 Å R-free 0.319
4ZLJ Crystal structure of transporter AcrB Deposited 2015-05-01 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M ADA buffer at pH 7.4, 0.1 M Li2SO4, 10% PEG 3350
Resolution 3.26 Å R-free 0.318
4ZLL Crystal structure of transporter AcrB triple mutant Deposited 2015-05-01 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M ADA buffer at pH 7.4, 0.1 M Li2SO4, 10% PEG 3350
Resolution 3.36 Å R-free 0.312
4ZLN Crystal structure of transporter AcrB deletion mutant Deposited 2015-05-01 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M ADA buffer at pH 7.4, 0.1 M Li2SO4, 10% PEG 3350
Resolution 3.56 Å R-free 0.303
5EN5 Apo structure of bacterial efflux pump. Deposited 2015-11-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 39–329（291 aa）
Chain A 561–869（309 aa）
Chain B 39–329（291 aa）
Chain B 561–869（309 aa）
Chain C 39–329（291 aa）
Chain C 561–869（309 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M MES pH6.5, 0.21 M NaCl, 11.5 % PEG 4000
Resolution 2.30 Å R-free 0.249
5ENO MBX2319 bound structure of bacterial efflux pump. Deposited 2015-11-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 39–329（291 aa）
Chain A 561–869（309 aa）
Chain B 39–329（291 aa）
Chain B 561–869（309 aa）
Chain C 39–329（291 aa）
Chain C 561–869（309 aa）
Not recorded 5QG 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M MES pH6.5, 0.21 M NaCl, 11.5% PEG4000
Resolution 2.20 Å R-free 0.247
5ENP MBX2931 bound structure of bacterial efflux pump. Deposited 2015-11-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 39–329（291 aa）
Chain A 561–869（309 aa）
Chain B 39–329（291 aa）
Chain B 561–869（309 aa）
Chain C 39–329（291 aa）
Chain C 561–869（309 aa）
Not recorded 5QF 6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M MES pH6.5, 0.21 M NaCl, 11.5% PEG4000
Resolution 1.90 Å R-free 0.222
5ENQ MBX3132 bound structure of bacterial efflux pump. Deposited 2015-11-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 39–329（291 aa）
Chain A 561–869（309 aa）
Chain B 39–329（291 aa）
Chain B 561–869（309 aa）
Chain C 39–329（291 aa）
Chain C 561–869（309 aa）
Not recorded 5QE ~{N}-[4-[2-[[5-cyano-8-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1 MES pH6.5, 0.21 M NaCl, 11.5% PEG4000
Resolution 1.80 Å R-free 0.223
5ENR MBX3135 bound structure of bacterial efflux pump. Deposited 2015-11-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 39–329（291 aa）
Chain A 561–869（309 aa）
Chain B 39–329（291 aa）
Chain B 561–869（309 aa）
Chain C 39–329（291 aa）
Chain C 561–869（309 aa）
Not recorded MBX ~{N}-[4-[2-[[5-cyano-8-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M MES pH6.5, 0.21 M NaCl, 11.5% PEG4000
Resolution 2.30 Å R-free 0.241
5ENS Rhodamine bound structure of bacterial efflux pump. Deposited 2015-11-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 39–329（291 aa）
Chain A 561–869（309 aa）
Chain B 39–329（291 aa）
Chain B 561–869（309 aa）
Chain C 39–329（291 aa）
Chain C 561–869（309 aa）
Not recorded RHQ RHODAMINE 6G × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1 MES pH6.5, 0.21M NaCl, 11.5% PEG4000
Resolution 2.80 Å R-free 0.258
5ENT Minocycline bound structure of bacterial efflux pump. Deposited 2015-11-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 39–329（291 aa）
Chain A 561–869（309 aa）
Chain B 39–329（291 aa）
Chain B 561–869（309 aa）
Chain C 39–329（291 aa）
Chain C 561–869（309 aa）
Not recorded MIY (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 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M MES pH6.5, 0.21 M NaCl, 11.5% PEG4000
Resolution 2.50 Å R-free 0.248
5JMN Fusidic acid bound AcrB Deposited 2016-04-29 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded FUA FUSIDIC ACID × 3 LMT DODECYL-BETA-D-MALTOSIDE × 10 SO4 SULFATE ION × 2 GOL GLYCEROL × 8 ETE 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 3 HEX HEXANE × 2 PTY PHOSPHATIDYLETHANOLAMINE × 4 D12 DODECANE × 4 OCT N-OCTANE × 2 P3G 3,6,9,12,15-PENTAOXAHEPTADECANE × 1 D10 DECANE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.9；290 K；0.05M ADA, pH 6.9, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 5-10% PEG4000, 0.004m FUSIDIC ACID
Resolution 2.50 Å R-free 0.261
5NC5 Crystal structure of AcrBZ in complex with antibiotic puromycin Deposited 2017-03-03 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 3 D12 DODECANE × 8 D10 DECANE × 26 DD9 nonane × 14 PUY PUROMYCIN × 1 HEX HEXANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；80 mM Bis-Tris, pH 6.0, 50 mM sodium citrate, 120 mM KCl, 10% PEG 4000, 0.5% N,N-dimethyldodecylamine N-oxide
Resolution 3.20 Å R-free 0.245
5NG5 multi-drug efflux; membrane transport; RND superfamily; Drug resistance Deposited 2017-03-16 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 15 PDB declaration: pentadecameric
Chain J 1–1049（1049 aa）
Chain K 1–1049（1049 aa）
Chain L 1–1049（1049 aa）
Not recorded 5QF 6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile × 3 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE；a 3ul aliquot at a concentration of 2 mg per ml was applied onto glow-discharged holey carbon grid (Quantifoil Au R1.21.3, 300 mesh)
Resolution 6.50 Å
5O66 Asymmetric AcrABZ-TolC Deposited 2017-06-05 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 15 PDB declaration: pentadecameric
Chain J 1–1049（1049 aa）
Chain K 1–1049（1049 aa）
Chain L 1–1049（1049 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.6
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 5.90 Å
5V5S multi-drug efflux; membrane transport; RND superfamily; Drug resistance Deposited 2017-03-15 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain J 1–1049（1049 aa）
Chain K 1–1049（1049 aa）
Chain L 1–1049（1049 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE；a 3ul aliquot at a concentration of 2 mg per ml was applied onto glow-discharged holey carbon grid (Quantifoil Au R1.21.3, 300 mesh)
Resolution 6.50 Å
5YIL Hoisting-loop in bacterial multidrug exporter AcrB is a highly flexible hinge that enables the large motion of the subdomains Deposited 2017-10-05 Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Mutation：868, 871-872 deletion Mutation：868, 871-872 deletion Mutation：868, 871-872 deletion No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.4；298 K；20MM SODIUM PHOSPHATE, 100MM NACL, 14%(W/V) PEG 4000
Resolution 3.00 Å R-free 0.273
6BAJ Cryo-EM structure of lipid bilayer in the native cell membrane nanoparticles of AcrB Deposited 2017-10-13 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded PTY PHOSPHATIDYLETHANOLAMINE × 31 D12 DODECANE × 11 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.20 Å
6CSX Single particles Cryo-EM structure of AcrB D407A associated with lipid bilayer at 3.0 Angstrom Deposited 2018-03-21 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Mutation：D407A Mutation：D407A Mutation：D407A PTY PHOSPHATIDYLETHANOLAMINE × 18 D12 DODECANE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.8
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.00 Å
6Q4N Fusidic acid bound AcrB_V340A Deposited 2018-12-06 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Mutation：V340A Mutation：V340A Mutation：V340A P6G HEXAETHYLENE GLYCOL × 1 FUA FUSIDIC ACID × 3 LMT DODECYL-BETA-D-MALTOSIDE × 8 GOL GLYCEROL × 6 PTY PHOSPHATIDYLETHANOLAMINE × 4 OCT N-OCTANE × 5 D10 DECANE × 5 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 2 HEX HEXANE × 2 SO4 SULFATE ION × 2 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 D12 DODECANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, pH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000
Resolution 2.80 Å R-free 0.265
6Q4O Fusidic acid bound AcrB_I27A Deposited 2018-12-06 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 8 D10 DECANE × 8 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 9 GOL GLYCEROL × 11 HEX HEXANE × 9 OCT N-OCTANE × 4 FUA FUSIDIC ACID × 1 D12 DODECANE × 4 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 PTY PHOSPHATIDYLETHANOLAMINE × 4 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000
Resolution 2.80 Å R-free 0.256
6Q4P Fusidic acid bound AcrB_N298A Deposited 2018-12-06 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Mutation：N298A Mutation：N298A Mutation：N298A LMT DODECYL-BETA-D-MALTOSIDE × 10 D12 DODECANE × 3 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 6 GOL GLYCEROL × 6 HEX HEXANE × 2 FUA FUSIDIC ACID × 1 PTY PHOSPHATIDYLETHANOLAMINE × 2 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 OCT N-OCTANE × 3 CL CHLORIDE ION × 5 SO4 SULFATE ION × 2 D10 DECANE × 1 C14 TETRADECANE × 1 ETE 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, pH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000
Resolution 2.80 Å R-free 0.247
6SGR Cryo-EM structure of Escherichia coli AcrBZ and DARPin in Saposin A-nanodisc with cardiolipin Deposited 2019-08-05 Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.17 Å
6SGS Cryo-EM structure of Escherichia coli AcrBZ and DARPin in Saposin A-nanodisc Deposited 2019-08-05 Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.20 Å
6SGT Cryo-EM structure of Escherichia coli AcrB and DARPin in Saposin A-nanodisc with cardiolipin Deposited 2019-08-05 Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.46 Å
6SGU Cryo-EM structure of Escherichia coli AcrB and DARPin in Saposin A-nanodisc Deposited 2019-08-05 Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.27 Å
6ZO5 Fusidic acid binding to the TM1/TM2 groove of AcrB-G619P_G621P Deposited 2020-07-07 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded XPE 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL × 1 LMT DODECYL-BETA-D-MALTOSIDE × 8 D12 DODECANE × 4 D10 DECANE × 5 GOL GLYCEROL × 8 HEX HEXANE × 7 EDO 1,2-ETHANEDIOL × 7 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 FUA FUSIDIC ACID × 1 C14 TETRADECANE × 3 SO4 SULFATE ION × 3 LPX (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate × 2 PGE TRIETHYLENE GLYCOL × 2 PTY PHOSPHATIDYLETHANOLAMINE × 1 OCT N-OCTANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.001M ERYTHROMYCIN, 0.001M FUSIDIC ACID, 0.001M LINEZOLID, 0.001M OXACILLIN
Resolution 2.50 Å R-free 0.252
6ZO6 Minocycline binding to the deep binding pocket of AcrB-G619P Deposited 2020-07-07 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 6 OCT N-OCTANE × 3 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 5 GOL GLYCEROL × 14 D12 DODECANE × 3 HEX HEXANE × 6 EDO 1,2-ETHANEDIOL × 24 PGE TRIETHYLENE GLYCOL × 2 MIY (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 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 D10 DECANE × 5 CL CHLORIDE ION × 3 MYS PENTADECANE × 2 PG4 TETRAETHYLENE GLYCOL × 1 8K6 Octadecane × 1 R16 HEXADECANE × 1 SO4 SULFATE ION × 1 C14 TETRADECANE × 1 PTY PHOSPHATIDYLETHANOLAMINE × 1 LPX (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate × 1 1PE PENTAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.0012M MINOCYCLINE
Resolution 2.35 Å R-free 0.257
6ZO7 3-Formylrifamycin SV binding to the access pocket of AcrB-G619P L and T protomer Deposited 2020-07-07 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 10 D10 DECANE × 1 EDO 1,2-ETHANEDIOL × 8 3YI (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 × 2 GOL GLYCEROL × 3 HEX HEXANE × 1 SO4 SULFATE ION × 1 PTY PHOSPHATIDYLETHANOLAMINE × 2 D12 DODECANE × 2 R16 HEXADECANE × 1 CL CHLORIDE ION × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.003M RIFAMPICIN QUINONE, 0.0012M MINOCYCLINE
Resolution 2.85 Å R-free 0.271
6ZO8 Minocycline binding to the deep binding pocket of AcrB-G621P Deposited 2020-07-07 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 9 GOL GLYCEROL × 16 D10 DECANE × 7 C14 TETRADECANE × 2 EDO 1,2-ETHANEDIOL × 12 MIY (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 LMU DODECYL-ALPHA-D-MALTOSIDE × 1 PTY PHOSPHATIDYLETHANOLAMINE × 2 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 OCT N-OCTANE × 3 D12 DODECANE × 3 HEX HEXANE × 3 SO4 SULFATE ION × 3 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 NA SODIUM ION × 1 CL CHLORIDE ION × 1 LPX (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.002M MINOCYCLINE
Resolution 2.50 Å R-free 0.249
6ZO9 Binding of two rifabutins to the access pocket of AcrB-G621P T protomer Deposited 2020-07-07 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded D12 DODECANE × 3 LMT DODECYL-BETA-D-MALTOSIDE × 6 PTY PHOSPHATIDYLETHANOLAMINE × 3 GOL GLYCEROL × 3 EDO 1,2-ETHANEDIOL × 4 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 HEX HEXANE × 2 OCT N-OCTANE × 3 SO4 SULFATE ION × 2 RBT RIFABUTIN × 2 C14 TETRADECANE × 1 D10 DECANE × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.003M RIFABUTIN
Resolution 2.70 Å R-free 0.274
6ZOA Partially induced AcrB T protomer and DDM binding to the TM8/PC2 pathway of AcrB L2 protomer Deposited 2020-07-07 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 6 C14 TETRADECANE × 4 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 7 HEX HEXANE × 4 D10 DECANE × 1 CL CHLORIDE ION × 1 LNK PENTANE × 1 GOL GLYCEROL × 3 OCT N-OCTANE × 2 EDO 1,2-ETHANEDIOL × 1 PTY PHOSPHATIDYLETHANOLAMINE × 2 D12 DODECANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.001M DICLOXACILLIN, 0.001M OXACILLIN, 0.001M PIPERACILLIN
Resolution 3.05 Å R-free 0.272
6ZOB 3-Formylrifamycin SV binding to the access pocket of AcrB L protomer Deposited 2020-07-07 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 6 HEX HEXANE × 1 GOL GLYCEROL × 4 ETE 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 3YI (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 EDO 1,2-ETHANEDIOL × 1 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 OCT N-OCTANE × 1 D10 DECANE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.9, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.003M rifampicin
Resolution 2.80 Å R-free 0.262
6ZOC Erythromycin binding to the access pocket of AcrB-G616P L protomer and 3-formylrifamycin SV binding to the access pocket of AcrB-G616P T protomer Deposited 2020-07-07 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded C14 TETRADECANE × 2 LMT DODECYL-BETA-D-MALTOSIDE × 5 ERY ERYTHROMYCIN A × 1 EDO 1,2-ETHANEDIOL × 12 GOL GLYCEROL × 5 D12 DODECANE × 2 OCT N-OCTANE × 2 HEX HEXANE × 2 3YI (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 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 SO4 SULFATE ION × 2 PG4 TETRAETHYLENE GLYCOL × 1 PTY PHOSPHATIDYLETHANOLAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.003M RIFAMPICIN, 0.001M ERYTHROMYCIN, 0.001M FUSIDIC ACID, 0.001M LINEZOLID, 0.001M OXACILLIN
Resolution 2.89 Å R-free 0.238
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 Deposited 2020-07-07 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 7 EDO 1,2-ETHANEDIOL × 15 GOL GLYCEROL × 2 D10 DECANE × 2 FUA FUSIDIC ACID × 4 PGE TRIETHYLENE GLYCOL × 1 8K6 Octadecane × 1 SO4 SULFATE ION × 5 PTY PHOSPHATIDYLETHANOLAMINE × 2 D12 DODECANE × 1 HEX HEXANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.9, 0.15-0.25M AMMONIUM REMARK 280 SULFATE, 5% GLYCEROL, 5-10% PEG4000, 0.001 M FUSIDIC ACID, 0.001M OXACILLIN, 0.001M ERYTHROMYCIN, 0.001M LINEZOLID
Resolution 2.85 Å R-free 0.247
6ZOE AcrB-F563A symmetric T protomer Deposited 2020-07-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 1–1049（1049 aa）
Not recorded D10 DECANE × 3 EDO 1,2-ETHANEDIOL × 6 LMT DODECYL-BETA-D-MALTOSIDE × 3 PGE TRIETHYLENE GLYCOL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；0.1 M sodium acetate, pH 5.5 and 12% PEG400
Resolution 2.85 Å R-free 0.265
6ZOF Fusidic acid binding to the TM7/TM8 groove of AcrB-F380A T protomer Deposited 2020-07-07 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 5 SO4 SULFATE ION × 2 D10 DECANE × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 GOL GLYCEROL × 1 FUA FUSIDIC ACID × 1 R16 HEXADECANE × 1 PTY PHOSPHATIDYLETHANOLAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.9, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000
Resolution 3.30 Å R-free 0.258
6ZOG Minocycline binding to the deep binding pocket of AcrB-I38F_I671T Deposited 2020-07-07 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 6 D10 DECANE × 2 EDO 1,2-ETHANEDIOL × 6 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 MYS PENTADECANE × 1 8K6 Octadecane × 1 MIY (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 GOL GLYCEROL × 5 OCT N-OCTANE × 1 SO4 SULFATE ION × 3 D12 DODECANE × 1 PTY PHOSPHATIDYLETHANOLAMINE × 1 C14 TETRADECANE × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.002M MINOCYCLINE
Resolution 2.75 Å R-free 0.268
6ZOH 3-Formylrifamycin SV binding to the access pocket of AcrB-G619P_G621P L and T protomers Deposited 2020-07-07 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 7 EDO 1,2-ETHANEDIOL × 10 GOL GLYCEROL × 4 D12 DODECANE × 4 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 2 3YI (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 × 2 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 PTY PHOSPHATIDYLETHANOLAMINE × 1 D10 DECANE × 1 LPX (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate × 1 HEX HEXANE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.003M RIFAMPICIN QUINONE
Resolution 2.80 Å R-free 0.245
7B8R Doxycycline bound structure of bacterial efflux pump. Deposited 2020-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 39–329（291 aa）
Chain A 561–869（309 aa）
Chain B 39–329（291 aa）
Chain B 561–869（309 aa）
Chain C 39–329（291 aa）
Chain C 561–869（309 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 5 DXT (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 × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M MES pH 6.5, 0.21 M NaCl, 11.5% PEG4000
Resolution 2.10 Å R-free 0.239
7B8S Fusidic acid bound structure of bacterial efflux pump. Deposited 2020-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 39–329（291 aa）
Chain A 561–869（309 aa）
Chain B 39–329（291 aa）
Chain B 561–869（309 aa）
Chain C 39–329（291 aa）
Chain C 561–869（309 aa）
Not recorded FUA FUSIDIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M MES pH 6.5, 0.21 M NaCl, 11.5% PEG4000
Resolution 2.30 Å R-free 0.247
7B8T Levofloxacin bound structure of bacterial efflux pump. Deposited 2020-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 39–329（291 aa）
Chain A 561–869（309 aa）
Chain B 39–329（291 aa）
Chain B 561–869（309 aa）
Chain C 39–329（291 aa）
Chain C 561–869（309 aa）
Not recorded LFX (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 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M MES pH 6.5, 0.21 M NaCl, 11.5% PEG4000
Resolution 2.70 Å R-free 0.269
7OUK BDM88855 inhibitor bound to the transmembrane domain of AcrB Deposited 2021-06-12 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 8 1K8 3-chloranyl-2-piperazin-1-yl-quinoline × 2 EDO 1,2-ETHANEDIOL × 14 OCT N-OCTANE × 3 C14 TETRADECANE × 3 GOL GLYCEROL × 6 D10 DECANE × 1 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 SO4 SULFATE ION × 3 LPX (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.13-0.2M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.008M BDM88855
Resolution 2.60 Å R-free 0.263
7OUL BDM88832 inhibitor bound to the transmembrane domain of AcrB-R971A Deposited 2021-06-12 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 6 EDO 1,2-ETHANEDIOL × 11 1KE 1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine × 1 D12 DODECANE × 1 SO4 SULFATE ION × 3 GOL GLYCEROL × 2 LPX (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 C14 TETRADECANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.13-0.2M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.006M BDM88832
Resolution 2.80 Å R-free 0.261
7OUM BDM88855 inhibitor bound to the transmembrane domain of AcrB-R971A Deposited 2021-06-12 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 7 C14 TETRADECANE × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 2 GOL GLYCEROL × 3 1K8 3-chloranyl-2-piperazin-1-yl-quinoline × 2 D10 DECANE × 4 EDO 1,2-ETHANEDIOL × 17 SO4 SULFATE ION × 2 OCT N-OCTANE × 4 LPX (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.13-0.2M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.006M BDM88855
Resolution 2.45 Å R-free 0.256
7RR6 Multidrug efflux pump subunit AcrB Deposited 2021-08-09 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded PTY PHOSPHATIDYLETHANOLAMINE × 27 D12 DODECANE × 8 ELECTRON MICROSCOPY
cryo-EM buffer pH 5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.10 Å
7RR7 Multidrug efflux pump subunit AcrB Deposited 2021-08-09 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded PTY PHOSPHATIDYLETHANOLAMINE × 15 D12 DODECANE × 12 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.8
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.05 Å
7RR8 Multidrug efflux pump subunit AcrB Deposited 2021-08-09 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded PTY PHOSPHATIDYLETHANOLAMINE × 13 D12 DODECANE × 13 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.8
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.51 Å
8PX7 Structure of Bacterial Multidrug Efflux transporter AcrB, solved at wavelength 3.02 A Deposited 2023-07-22 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；10% PEG 4000, 0.1 M HEPES PH 7.5, 0.1 M AMMONIUM SULPHATE AND 22% V/V GLYCEROL
Resolution 3.40 Å R-free 0.310
8QZQ Single particle cryo-EM co-structure of E. coli AcrB with bound BDM91531 inhibitor Deposited 2023-10-29 Different ligand/ion Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded XE9 [3-(3-chloranyl-2-piperazin-1-yl-quinolin-6-yl)phenyl]methanamine × 1 WR6 [(2~{R})-1-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-3-undecanoyloxy-propan-2-yl] tricosanoate × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.23 Å
9BFH Cryo-EM co-structure of AcrB with the CU032 efflux pump inhibitor Deposited 2024-04-17 Different ligand/ion Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded A1AN8 (2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3,4-dichlorophenoxy)propan-2-ol × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.62 Å
9BFM Cryo-EM co-structure of AcrB with the EPM35 efflux pump inhibitor Deposited 2024-04-18 Different ligand/ion Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded A1AON (2S)-1-(3,4-dichlorophenoxy)-3-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}piperidin-1-yl)propan-2-ol × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.71 Å
9BFN Cryo-EM co-structure of AcrB with the CU232 efflux pump inhibitor Deposited 2024-04-18 Different ligand/ion Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded 3PE 1,2-Distearoyl-sn-glycerophosphoethanolamine × 2 A1AOE (2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.71 Å
9BFT Cryo-EM co-structure of AcrB with CU244 Deposited 2024-04-18 Different ligand/ion Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded 3PE 1,2-Distearoyl-sn-glycerophosphoethanolamine × 2 A1AOF (2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.44 Å
9DXN Structure of AcrB in the form of Native cell membrane nanoparticles (NCMNP33-50) Deposited 2024-10-11 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.35 Å
9FDP Single particle cryo-EM structure of the AcrB V612W monomer in the O state Deposited 2024-05-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–1049（1049 aa）
Mutation：V612W No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.30 Å
9FDQ Single particle cryo-EM structure of the AcrB V612F monomer in the O state Deposited 2024-05-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–1049（1049 aa）
Mutation：V612F No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.47 Å
9FE2 Crystallographic structure of AcrB V612W with bound minocycline Deposited 2024-05-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 1–1049（1049 aa）
Mutation：V612W MIY (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 × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.1M MES pH 6.5, 5.5-20.5% PEG400
Resolution 1.89 Å R-free 0.244
9FE3 Crystallographic structure of AcrB V612W Deposited 2024-05-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 1–1049（1049 aa）
Mutation：V612W No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；0.1M sodium acetate pH 4.5, 0.1M NaCl, 0.1M MgCl2, 20-37.5% PEG400
Resolution 2.30 Å R-free 0.290
9FE4 Crystallographic structure of AcrB V612F Deposited 2024-05-17 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain B 1–1049（1049 aa）
Mutation：V612F No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；0.1M citrate pH 4.6, 5% PEG400, 16-21% PEG300, 8-11% glycerol
Resolution 2.80 Å R-free 0.300
9FHC Crystallographic structure of AcrB V612F with bound minocycline Deposited 2024-05-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 1–1049（1049 aa）
Mutation：V612F MIY (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 × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；0.1M sodium acetate pH 4.5, 3-7% PEG200, 15-25% PEG400, 0.15M MgCl2, 0.15M NaCl
Resolution 2.20 Å R-free 0.238
9FHG Crystallographic structure of AcrB V612N in LTO state Deposited 2024-05-27 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Mutation：V612N Mutation：V612N Mutation：V612N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；50mM ADA pH 6.6, 5% (v/v) glycerol, 6-9% PEG4000, 110-220mM (NH4)2SO4
Resolution 3.00 Å R-free 0.283
9FHJ Crystallographic structure of AcrB V612N in TTT state Deposited 2024-05-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 1–1049（1049 aa）
Mutation：V612N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.1M MES pH 6.5, 5.5-20.5% PEG400
Resolution 3.55 Å R-free 0.326
9HAO BDM91531 inhibitor bound to the transmembrane domain of AcrB Deposited 2024-11-04 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 8 OCT N-OCTANE × 8 C14 TETRADECANE × 2 EDO 1,2-ETHANEDIOL × 14 GOL GLYCEROL × 39 D12 DODECANE × 4 HEX HEXANE × 8 XE9 [3-(3-chloranyl-2-piperazin-1-yl-quinolin-6-yl)phenyl]methanamine × 1 D10 DECANE × 2 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 2 SO4 SULFATE ION × 3 LPX (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；290 K；0.05M ADA, pH 6.6, 0.19M ammonium sulfate, 9% PEG4000, 5% Glycerol, 0.0025M BDM91531
Resolution 1.94 Å R-free 0.225
9HCI structure of the double Cys-substituted cross-linked AcrB variant S562C_T837C Deposited 2024-11-10 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Mutation：S562C, T837C Mutation：S562C, T837C Mutation：S562C, T837C LMT DODECYL-BETA-D-MALTOSIDE × 8 D10 DECANE × 9 GOL GLYCEROL × 16 D12 DODECANE × 4 HEX HEXANE × 3 C14 TETRADECANE × 1 OCT N-OCTANE × 2 DD9 nonane × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；0.05M ADA, pH 6.5, 0.2M ammonium sulfate, 8% PEG4000, 5.1% Glycerol
Resolution 2.60 Å R-free 0.230
9HWL Structure of the co-purified multidrug transporter subunit ACRB in nandisc Deposited 2025-01-05 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1049（1049 aa）
Chain B 1–1049（1049 aa）
Chain C 1–1049（1049 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；50mM HEPES, 150mM NaCl and 5mM EGTA
cryo-EM vitrification conditions Cryogen ETHANE；100% humidity, 16C
Resolution 3.27 Å
9TG4 Structure of the YbjP lipoprotein bound to the AcrABZ-TolC efflux pump Deposited 2025-11-28 Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 18 PDB declaration: 18-meric
Chain J 1–1049（1049 aa）
Chain K 1–1049（1049 aa）
Chain L 1–1049（1049 aa）
Not recorded CL CHLORIDE ION × 3 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.17 Å
9V53 Structure of TolC, YbjP, and AcrABZ complex Deposited 2025-05-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 18 PDB declaration: octadecameric
Chain BL 1–1049（1049 aa）
Chain BO 1–1049（1049 aa）
Chain BT 1–1049（1049 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen NITROGEN
Resolution 3.39 Å
9V5R cryo-EM structure of trimeric AcrB Deposited 2025-05-26 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–1034（1034 aa）
Chain B 1–1034（1034 aa）
Chain C 1–1034（1034 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 2.92 Å

117 other PDB entries and 124 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name ACRB_ECOLI
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–1049； UniProt 1–1049 Author chain B； PDBConstruct 1–1049； UniProt 1–1049 Author chain C； PDBConstruct 1–1049； UniProt 1–1049

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 8qzt

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 8qzt
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2. Structure Basics 2. Structure Basics

Entry ID entry_id8qzt
Deposition date deposition_date2023-10-29
最后修订 last_revision2024-11-06
Structure title titleSingle particle cryo-EM co-structure of E. coli AcrB with bound BDM91531 inhibitor at 3.52 A resolution
Keywords keywordsEfflux Pump Inhibitor, Transmembrane Binding, Antibiotic Resistance, TRANSPORT PROTEIN; TRANSPORT PROTEIN
Experimental Method methodELECTRON MICROSCOPY
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier45.28 Å
Radius of gyration Rg (electron density) rg_electron44.67 Å
Forward intensity I(0) i01466060000.00
Molecular weight molecular_weight333620.0 kDa
Excluded volume excluded_volume424000 ų
Envelope volume envelope_volume554500 ų
Hydration-shell volume shell_volume98056 ų
Envelope diameter envelope_diameter142.9 Å
Shell Rg shell_rg53.52 Å
Envelope Rg envelope_rg43.90 Å
Shape Rg shape_rg44.68 Å
Total Rg total_rg44.97 Å
Total atoms total_atoms47367
Residues n_residues3079
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax144.7 Å
Rg (real space) rg_real45.01 Å
Rg uncertainty (real space) rg_real_error1.06 Å
I(0) (real space) i0_real1.4660e+09
I(0) uncertainty (real space) i0_real_error2.5780e+07
Rg (reciprocal space) rg_reciprocal45.28 Å
I(0) (reciprocal space) i0_reciprocal1467000000.0000
Solution quality estimate total_estimate0.6688
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary57.9 Å
Skewness Skewness skewness0.148
Kurtosis Kurtosis kurtosis-0.434
Angular range angular_range— – 0.1750 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha291500000.0000
Real-space data points n_real_points36
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.868; Stabil: 1.000; Sysdev: 0.062; Positv: 1.000; Valcen: 0.982; Smooth: 0.918
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (2)

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8. Citations (1)

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9. Files and Curves (10)