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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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
 | | 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
 | | 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
 | | 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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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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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
 | | 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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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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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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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
 | | 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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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
 | | 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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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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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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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
 | | 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
 | | 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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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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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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8G4C
 | | BceABS ATPgS high res TM | | Descriptor: | Bacitracin export ATP-binding protein BceA, Bacitracin export permease protein BceB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | George, N.L, Orlando, B.J. | | Deposit date: | 2023-02-09 | | Release date: | 2023-06-21 | | Last modified: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Architecture of a complete Bce-type antimicrobial peptide resistance module.
Nat Commun, 14, 2023
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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: | 2023-07-12 | | 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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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: | 2023-07-12 | | 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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8G3L
 | | BceAB-S nucleotide free BceS 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: | 2023-02-08 | | Release date: | 2023-06-21 | | Last modified: | 2023-07-12 | | 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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