4PH9
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![BU of 4ph9 by Molmil](/molmil-images/mine/4ph9) | The structure of Ibuprofen bound to cyclooxygenase-2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Orlando, B.J, Lucido, M.J, Malkowski, M.G. | Deposit date: | 2014-05-05 | Release date: | 2014-11-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | The structure of ibuprofen bound to cyclooxygenase-2. J.Struct.Biol., 189, 2015
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5KIR
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![BU of 5kir by Molmil](/molmil-images/mine/5kir) | The Structure of Vioxx Bound to Human COX-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIUM ION, GLYCEROL, ... | Authors: | Orlando, B.J, Malkowski, M.G. | Deposit date: | 2016-06-16 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.697 Å) | Cite: | Crystal structure of rofecoxib bound to human cyclooxygenase-2. Acta Crystallogr.,Sect.F, 72, 2016
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5IKQ
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![BU of 5ikq by Molmil](/molmil-images/mine/5ikq) | The Structure of Meclofenamic Acid Bound to Human Cyclooxygenase-2 | Descriptor: | 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, ... | Authors: | Orlando, B.J, Malkowski, M.G. | Deposit date: | 2016-03-03 | Release date: | 2016-05-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Substrate-selective Inhibition of Cyclooxygeanse-2 by Fenamic Acid Derivatives Is Dependent on Peroxide Tone. J.Biol.Chem., 291, 2016
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5IKV
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![BU of 5ikv by Molmil](/molmil-images/mine/5ikv) | The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2 | Descriptor: | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIUM ION, ... | Authors: | Orlando, B.J, Malkowski, M.G. | Deposit date: | 2016-03-03 | Release date: | 2016-05-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.508 Å) | Cite: | Substrate-selective Inhibition of Cyclooxygeanse-2 by Fenamic Acid Derivatives Is Dependent on Peroxide Tone. J.Biol.Chem., 291, 2016
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5IKR
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![BU of 5ikr by Molmil](/molmil-images/mine/5ikr) | The Structure of Mefenamic Acid Bound to Human Cyclooxygenase-2 | Descriptor: | 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIUM ION, ... | Authors: | Orlando, B.J, Malkowski, M.G. | Deposit date: | 2016-03-03 | Release date: | 2016-05-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.342 Å) | Cite: | Substrate-selective Inhibition of Cyclooxygeanse-2 by Fenamic Acid Derivatives Is Dependent on Peroxide Tone. J.Biol.Chem., 291, 2016
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5IKT
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![BU of 5ikt by Molmil](/molmil-images/mine/5ikt) | The Structure of Tolfenamic Acid Bound to Human Cyclooxygenase-2 | Descriptor: | 2-[(3-chloro-2-methylphenyl)amino]benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Orlando, B.J, Malkowski, M.G. | Deposit date: | 2016-03-03 | Release date: | 2016-05-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.451 Å) | Cite: | Substrate-selective Inhibition of Cyclooxygeanse-2 by Fenamic Acid Derivatives Is Dependent on Peroxide Tone. J.Biol.Chem., 291, 2016
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6VXI
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![BU of 6vxi by Molmil](/molmil-images/mine/6vxi) | Structure of ABCG2 bound to mitoxantrone | Descriptor: | 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL | Authors: | Orlando, B.J, Liao, M. | Deposit date: | 2020-02-21 | Release date: | 2020-05-13 | Last modified: | 2020-05-20 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | ABCG2 transports anticancer drugs via a closed-to-open switch. Nat Commun, 11, 2020
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6VXH
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![BU of 6vxh by Molmil](/molmil-images/mine/6vxh) | Structure of ABCG2 bound to imatinib | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL | Authors: | Orlando, B.J, Liao, M. | Deposit date: | 2020-02-21 | Release date: | 2020-05-13 | Last modified: | 2020-05-20 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | ABCG2 transports anticancer drugs via a closed-to-open switch. Nat Commun, 11, 2020
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6VXF
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![BU of 6vxf by Molmil](/molmil-images/mine/6vxf) | Structure of apo-closed ABCG2 | Descriptor: | Broad substrate specificity ATP-binding cassette transporter ABCG2 | Authors: | Orlando, B.J, Maofu, L. | Deposit date: | 2020-02-21 | Release date: | 2020-05-13 | Last modified: | 2020-05-20 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | ABCG2 transports anticancer drugs via a closed-to-open switch. Nat Commun, 11, 2020
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6VXJ
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![BU of 6vxj by Molmil](/molmil-images/mine/6vxj) | Structure of ABCG2 bound to SN38 | Descriptor: | 7-ethyl-10-hydroxycamptothecin, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL | Authors: | Orlando, B.J, Liao, M. | Deposit date: | 2020-02-22 | Release date: | 2020-05-13 | Last modified: | 2020-05-20 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | ABCG2 transports anticancer drugs via a closed-to-open switch. Nat Commun, 11, 2020
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5JVY
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![BU of 5jvy by Molmil](/molmil-images/mine/5jvy) | Crystal structure of S121P murine COX-2 mutant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, ... | Authors: | Orlando, B.J, Malkowski, M.G, Dong, L. | Deposit date: | 2016-05-11 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Fatty Acid Binding to the Allosteric Subunit of Cyclooxygenase-2 Relieves a Tonic Inhibition of the Catalytic Subunit. J.Biol.Chem., 291, 2016
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6MHU
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![BU of 6mhu by Molmil](/molmil-images/mine/6mhu) | Nucleotide-free Cryo-EM Structure of E.coli LptB2FG Transporter | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, Lipopolysaccharide export system ATP-binding protein LptB, Lipopolysaccharide export system permease protein LptF, ... | Authors: | Orlando, B.J, Li, Y, Liao, M. | Deposit date: | 2018-09-18 | Release date: | 2019-04-03 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural basis of lipopolysaccharide extraction by the LptB2FGC complex. Nature, 567, 2019
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6MI8
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![BU of 6mi8 by Molmil](/molmil-images/mine/6mi8) | Cryo-EM Structure of vanadate-trapped E.coli LptB2FGC | Descriptor: | ADP ORTHOVANADATE, Lipopolysaccharide export system ATP-binding protein LptB, Lipopolysaccharide export system permease protein LptF, ... | Authors: | Orlando, B.J, Li, Y, Liao, M. | Deposit date: | 2018-09-19 | Release date: | 2019-04-03 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural basis of lipopolysaccharide extraction by the LptB2FGC complex. Nature, 567, 2019
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6NJ8
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![BU of 6nj8 by Molmil](/molmil-images/mine/6nj8) | Encapsulin iron storage compartment from Quasibacillus thermotolerans | Descriptor: | Encapsulating protein for a DyP-type peroxidase, targeting peptide | Authors: | Orlando, B.J, Giessen, T.W, Chambers, M.G, Liao, M, Silver, P.A. | Deposit date: | 2019-01-02 | Release date: | 2019-08-07 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.85 Å) | Cite: | Large protein organelles form a new iron sequestration system with high storage capacity. Elife, 8, 2019
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6MHZ
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![BU of 6mhz by Molmil](/molmil-images/mine/6mhz) | Vanadate trapped Cryo-EM Structure of E.coli LptB2FG Transporter | Descriptor: | ADP ORTHOVANADATE, Lipopolysaccharide export system ATP-binding protein LptB, Lipopolysaccharide export system permease protein LptF, ... | Authors: | Orlando, B.J, Li, Y, Liao, M. | Deposit date: | 2018-09-18 | Release date: | 2019-04-03 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural basis of lipopolysaccharide extraction by the LptB2FGC complex. Nature, 567, 2019
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6MI7
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![BU of 6mi7 by Molmil](/molmil-images/mine/6mi7) | Nucleotide-free Cryo-EM Structure of E.coli LptB2FGC | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, Lipopolysaccharide export system ATP-binding protein LptB, Lipopolysaccharide export system permease protein LptF, ... | Authors: | Orlando, B.J, Li, Y, Liao, M. | Deposit date: | 2018-09-19 | Release date: | 2019-04-03 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural basis of lipopolysaccharide extraction by the LptB2FGC complex. Nature, 567, 2019
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5JW1
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![BU of 5jw1 by Molmil](/molmil-images/mine/5jw1) | Crystal structure of Celecoxib bound to S121P murine COX-2 mutant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, ... | Authors: | Malkowski, M.G, Orlando, B.J. | Deposit date: | 2016-05-11 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.822 Å) | Cite: | Fatty Acid Binding to the Allosteric Subunit of Cyclooxygenase-2 Relieves a Tonic Inhibition of the Catalytic Subunit. J.Biol.Chem., 291, 2016
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5F19
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![BU of 5f19 by Molmil](/molmil-images/mine/5f19) | The Crystal Structure of Aspirin Acetylated Human Cyclooxygenase-2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lucido, M.J, Orlando, B.J, Malkowski, M.G. | Deposit date: | 2015-11-30 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry. Biochemistry, 55, 2016
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5F1A
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![BU of 5f1a by Molmil](/molmil-images/mine/5f1a) | The Crystal Structure of Salicylate Bound to Human Cyclooxygenase-2 | Descriptor: | 1,2-ETHANEDIOL, 2-HYDROXYBENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lucido, M.J, Orlando, B.J, Malkowski, M.G. | Deposit date: | 2015-11-30 | Release date: | 2016-03-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry. Biochemistry, 55, 2016
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5FDQ
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![BU of 5fdq by Molmil](/molmil-images/mine/5fdq) | Murine COX-2 S530T mutant | Descriptor: | 2-[(2~{R})-2-(hydroxymethyloxy)propoxy]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lucido, M.J, Orlando, B.J, Malkowski, M.G. | Deposit date: | 2015-12-16 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry. Biochemistry, 55, 2016
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7TCH
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![BU of 7tch by Molmil](/molmil-images/mine/7tch) | BceAB E169Q variant ATP-bound conformation | Descriptor: | 4-amino-4-deoxy-1-O-[(S)-hydroxy{[(2E,6E,10Z,14Z,18Z,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-L-arabinopyranose, ADENOSINE-5'-TRIPHOSPHATE, Bacitracin export ATP-binding protein BceA, ... | Authors: | George, N.L, Orlando, B.J. | Deposit date: | 2021-12-23 | Release date: | 2022-04-06 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Conformational snapshots of the bacitracin sensing and resistance transporter BceAB. Proc.Natl.Acad.Sci.USA, 119, 2022
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7TCG
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![BU of 7tcg by Molmil](/molmil-images/mine/7tcg) | BceAB nucleotide-free conformation | Descriptor: | 4-amino-4-deoxy-1-O-[(S)-hydroxy{[(2E,6E,10Z,14Z,18Z,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-L-arabinopyranose, Bacitracin export ATP-binding protein BceA, Bacitracin export permease protein BceB | Authors: | George, N.L, Orlando, B.J. | Deposit date: | 2021-12-23 | Release date: | 2022-04-06 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Conformational snapshots of the bacitracin sensing and resistance transporter BceAB. Proc.Natl.Acad.Sci.USA, 119, 2022
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5JVZ
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![BU of 5jvz by Molmil](/molmil-images/mine/5jvz) | Crystal structure of flurbiprofen bound to S121P murine COX-2 mutant | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Malkowski, M.G, Orlando, B.J. | Deposit date: | 2016-05-11 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Fatty Acid Binding to the Allosteric Subunit of Cyclooxygenase-2 Relieves a Tonic Inhibition of the Catalytic Subunit. J.Biol.Chem., 291, 2016
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8G3F
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![BU of 8g3f by Molmil](/molmil-images/mine/8g3f) | BceAB-S nucleotide free BceS state 1 | Descriptor: | Bacitracin export ATP-binding protein BceA, Bacitracin export permease protein BceB, OLEIC ACID, ... | Authors: | George, N.L, Orlando, B.J. | Deposit date: | 2023-02-07 | Release date: | 2023-06-21 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Architecture of a complete Bce-type antimicrobial peptide resistance module. Nat Commun, 14, 2023
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8G3B
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![BU of 8g3b by Molmil](/molmil-images/mine/8g3b) | BceAB-S nucleotide free TM state 2 | Descriptor: | Bacitracin export ATP-binding protein BceA, Bacitracin export permease protein BceB, OLEIC ACID, ... | Authors: | George, N.L, Orlando, B.J. | Deposit date: | 2023-02-07 | Release date: | 2023-06-21 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Architecture of a complete Bce-type antimicrobial peptide resistance module. Nat Commun, 14, 2023
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