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5BYL
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BU of 5byl by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPCP and Magnesium
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, GLYCEROL, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2015-06-10
Release date:2016-05-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
6C5U
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BU of 6c5u by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Ribostamycin, Alternate form
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2018-01-16
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia.
Antimicrob. Agents Chemother., 62, 2018
6CH4
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BU of 6ch4 by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia S376N mutant in complex with GMPPNP and Magnesium
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2018-02-21
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia.
Antimicrob. Agents Chemother., 62, 2018
6CGG
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BU of 6cgg by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Arbekacin
Descriptor: Arbekacin, Bifunctional AAC/APH, CHLORIDE ION, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2018-02-20
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia.
Antimicrob. Agents Chemother., 62, 2018
6CEY
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BU of 6cey by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Lividomycin moieties
Descriptor: (2R,3S,4S,5S,6R)-2-((2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3S,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R ,5S,6R)-3-AMINO-5-HYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-4-HYDROXY-2-(HYDROXYMET HYL)-TETRAHYDROFURAN-3-YLOXY)-4-HYDROXY-TETRAHYDRO-2H-PYRAN-3-YLOXY)-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL, Bifunctional AAC/APH, CHLORIDE ION, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2018-02-13
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia.
Antimicrob. Agents Chemother., 62, 2018
6CGD
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BU of 6cgd by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Amikacin
Descriptor: (2S)-N-[(1R,2S,3S,4R,5S)-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2S,3R,4S,5S ,6R)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide, Bifunctional AAC/APH, CHLORIDE ION, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2018-02-20
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia.
Antimicrob. Agents Chemother., 62, 2018
6CAV
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BU of 6cav by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Dibekacin
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, Dibekacin, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2018-02-01
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia.
Antimicrob. Agents Chemother., 62, 2018
6WXP
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BU of 6wxp by Molmil
De novo TIM barrel-ferredoxin fold fusion homodimer with 4-glutamate centre TFD-EE
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, TFD-EE
Authors:Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D.
Deposit date:2020-05-11
Release date:2020-11-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
6WXO
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BU of 6wxo by Molmil
De novo TIM barrel-ferredoxin fold fusion homodimer with 2-histidine 2-glutamate centre TFD-HE
Descriptor: GLYCEROL, SULFATE ION, TFD-HE
Authors:Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D.
Deposit date:2020-05-11
Release date:2020-11-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
5IQE
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BU of 5iqe by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPNP, Magnesium, and Neomycin B
Descriptor: Bifunctional AAC/APH, GLYCEROL, MAGNESIUM ION, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2016-03-10
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
5IQG
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BU of 5iqg by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GDP, Magnesium, and Gentamicin C1
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2016-03-10
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
5IQC
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BU of 5iqc by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPNP, Magnesium, and Gentamicin C1
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, GLYCEROL, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2016-03-10
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
5IQA
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BU of 5iqa by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPNP and Magnesium
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2016-03-10
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
5IQI
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BU of 5iqi by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) Y237F mutant in complex with GMPPNP and Magnesium
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2016-03-10
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
5IQH
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BU of 5iqh by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) S214A mutant in complex with GMPPNP and Magnesium
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, GLYCEROL, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2016-03-10
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
5IQD
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BU of 5iqd by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPNP, Magnesium, and Ribostamycin
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2016-03-10
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
5IQF
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BU of 5iqf by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia (CTD of APH(6')-Ie/APH(2'')-Ia) in complex with GDP and Magnesium
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, GLYCEROL, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2016-03-10
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
5IQB
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BU of 5iqb by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPNP, Magnesium, and Kanamycin A
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, KANAMYCIN A, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2016-03-10
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
6WVS
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BU of 6wvs by Molmil
Hyperstable de novo TIM barrel variant DeNovoTIM15
Descriptor: DeNovoTIM15 hyperstable de novo TIM barrel
Authors:Bick, M.J, Haydon, I.C, Caldwell, S.J, Zeymer, C, Huang, P, Fernandez-Velasco, D.A, Baker, D.
Deposit date:2020-05-06
Release date:2020-11-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ZV9
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BU of 6zv9 by Molmil
Terbium(III)-bound de novo TIM barrel-ferredoxin fold fusion dimer with 4-glutamate binding site and tryptophan antenna (TFD-EE N6W)
Descriptor: 1,2-ETHANEDIOL, TERBIUM(III) ION, TFD-EE
Authors:Caldwell, S, Haydon, I, Piperidou, N, Huang, P, Hilvert, D, Baker, D, Zeymer, C.
Deposit date:2020-07-24
Release date:2020-11-25
Last modified:2020-12-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
6CZT
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BU of 6czt by Molmil
CS-rosetta determined structures of the N-terminal domain of AlgF from P. aeruginosa
Descriptor: Alginate biosynthesis protein AlgF
Authors:Tammam, S, Howell, P.L.
Deposit date:2018-04-09
Release date:2019-04-17
Last modified:2020-01-08
Method:SOLUTION NMR
Cite:Pseudomonas aeruginosa AlgF is an adaptor protein required for acetylation of the alginate exopolysaccharide
To Be Published
6D10
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BU of 6d10 by Molmil
CS-rosetta determined structures of the C-terminal domain of AlgF from P. aeruginosa
Descriptor: Alginate biosynthesis protein AlgF
Authors:Tammam, S, Howell, P.L.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2020-01-08
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:Pseudomonas aeruginosa AlgF is an adaptor protein required for acetylation of the alginate exopolysaccharide
To Be Published

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