5NC4
 
 | | Crystal structure of the ferric enterobactin receptor (PfeA) in complex with protochelin from Pseudomonas aeruginosa | | Descriptor: | FE (III) ION, Ferric enterobactin receptor, ~{N}-[(5~{S})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide | | Authors: | Moynie, L, Naismith, J.H. | | Deposit date: | 2017-03-03 | | Release date: | 2018-03-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
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5OUT
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6HCP
 | | Crystal structure of BauA, the Ferric preacinetobactin receptor from Acinetobacter baumannii | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, BauA, ... | | Authors: | Moynie, L, Naismith, J.H. | | Deposit date: | 2018-08-16 | | Release date: | 2018-10-10 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Preacinetobactin not acinetobactin is essential for iron uptake by the BauA transporter of the pathogenAcinetobacter baumannii.
Elife, 7, 2018
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6I2J
 | | Crystal structure of the ferric enterobactin receptor mutant (Q482A) from Pseudomonas aeruginosa (PfeA) in complex with enterobactin | | Descriptor: | FE (III) ION, Ferric enterobactin receptor, N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide) | | Authors: | Moynie, L, Naismith, J.H. | | Deposit date: | 2018-11-01 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
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4CL6
 | | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with N-(4- Chlorobenzyl)-3-(2-furyl)-1H-1,2,4-triazol-5-amine | | Descriptor: | 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE, N-(4-chlorobenzyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine | | Authors: | Moynie, L, McMahon, S.A, Duthie, F.G, Naismith, J.H. | | Deposit date: | 2014-01-13 | | Release date: | 2015-01-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | A Substrate Mimic Allows High Throughput Assay of the Faba Protein and Consequently the Identification of a Novel Inhibitor of Pseudomonas Aeruginosa Faba.
J.Mol.Biol., 428, 2016
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4FQ9
 | | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa | | Descriptor: | 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, GLYCEROL, PHOSPHATE ION | | Authors: | Moynie, L, Mcmahon, S.A, Duthie, F.G, Naismith, J.H. | | Deposit date: | 2012-06-25 | | Release date: | 2013-03-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural insights into the mechanism and inhibition of the beta-hydroxydecanoyl-acyl carrier protein dehydratase from Pseudomonas aeruginosa
J.Mol.Biol., 425, 2013
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6H7F
 | | Crystal structure of BauA, the Ferric preacinetobactin receptor from Acinetobacter baumannii in complex with Fe3+-Preacinetobactin-acinetobactin | | Descriptor: | (4~{S},5~{R})-2-[2,3-bis(oxidanyl)phenyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-~{N}-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, ... | | Authors: | Moynie, L, Naismith, J.H. | | Deposit date: | 2018-07-31 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Preacinetobactin not acinetobactin is essential for iron uptake by the BauA transporter of the pathogenAcinetobacter baumannii.
Elife, 7, 2018
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6H7V
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2HUR
 | | Escherichia coli nucleoside diphosphate kinase | | Descriptor: | NUCLEOSIDE DIPHOSPHATE KINASE, SULFATE ION | | Authors: | Moynie, L, Giraud, M.-F, Georgescauld, F, Lascu, I, Dautant, A. | | Deposit date: | 2006-07-27 | | Release date: | 2007-04-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | The structure of the Escherichia coli nucleoside diphosphate kinase reveals a new quaternary architecture for this enzyme family
Proteins, 67, 2007
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7BHJ
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7BKA
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5NEC
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6FAZ
 | | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the positive allosteric modulator TDPAM01 at 1.4 A resolution. | | Descriptor: | 1,2-ETHANEDIOL, 6,6'-(Ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide), ACETATE ION, ... | | Authors: | Nielsen, L, Laulumaa, S, Kastrup, J.S. | | Deposit date: | 2017-12-18 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Enhancing Action of Positive Allosteric Modulators through the Design of Dimeric Compounds.
J. Med. Chem., 61, 2018
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4AVF
 | | Crystal structure of Pseudomonas aeruginosa inosine 5'-monophosphate dehydrogenase | | Descriptor: | INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE | | Authors: | McMahon, S.A, Moynie, L, Liu, H, Duthie, F, Naismith, J.H. | | Deposit date: | 2012-05-25 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 2013
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4AVR
 | | Crystal structure of the hypothetical protein Pa4485 from Pseudomonas aeruginosa | | Descriptor: | PA4485 | | Authors: | McMahon, S.A, Moynie, L, Liu, H, Duthie, F, Alphey, M.S, Naismith, J.H. | | Deposit date: | 2012-05-29 | | Release date: | 2013-01-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery.
Acta Crystallogr.,Sect.F, 69, 2013
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5FLL
 | | Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW) from Bacillus subtilis in complex with a Pimeloyl-adenylate | | Descriptor: | 6-CARBOXYHEXANOATE-COA LIGASE, MAGNESIUM ION, PIMELOYL-AMP, ... | | Authors: | Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H. | | Deposit date: | 2015-10-26 | | Release date: | 2016-11-16 | | Last modified: | 2018-06-13 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters.
Nat. Chem. Biol., 13, 2017
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8PKD
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5FLG
 | | Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis in complex with AMPPNP | | Descriptor: | 6-CARBOXYHEXANOATE--COA LIGASE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H. | | Deposit date: | 2015-10-26 | | Release date: | 2016-11-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters.
Nat. Chem. Biol., 13, 2017
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5FM0
 | | Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis (PtCl4 derivative) | | Descriptor: | 6-CARBOXYHEXANOATE--COA LIGASE, MAGNESIUM ION, PIMELOYL-AMP, ... | | Authors: | Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H. | | Deposit date: | 2015-10-29 | | Release date: | 2016-11-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters.
Nat. Chem. Biol., 13, 2017
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5G1F
 | | Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis in complex with coenzyme A | | Descriptor: | 6-CARBOXYHEXANOATE-COA LIGASE, COENZYME A, NONAETHYLENE GLYCOL, ... | | Authors: | Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H. | | Deposit date: | 2016-03-25 | | Release date: | 2017-03-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Structure of the 6-Carboxyhexanoate-Coa Ligase from Bacillus Subtilis
To be Published
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6GI2
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6GI5
 | | Crystal structure of the ferric enterobactin esterase (PfeE) from Pseudomonas aeruginosa in complex with the tris-catechol vector | | Descriptor: | FE (III) ION, Ferric enterobactin esterase, ~{N}-[2-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide | | Authors: | Moynie, L, Naismith, J.H. | | Deposit date: | 2018-05-09 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | A Key Role for the Periplasmic PfeE Esterase in Iron Acquisition via the Siderophore Enterobactin in Pseudomonas aeruginosa.
ACS Chem. Biol., 13, 2018
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6GI1
 | | Crystal structure of the ferric enterobactin esterase (pfeE) mutant(S157A) from Pseudomonas aeruginosa in presence of enterobactin | | Descriptor: | 1,2-ETHANEDIOL, 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID, FE (III) ION, ... | | Authors: | Moynie, L, Naismith, J.H. | | Deposit date: | 2018-05-09 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | A Key Role for the Periplasmic PfeE Esterase in Iron Acquisition via the Siderophore Enterobactin in Pseudomonas aeruginosa.
ACS Chem. Biol., 13, 2018
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6GI0
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2XU8
 | | Structure of Pa1645 | | Descriptor: | PA1645, SULFATE ION | | Authors: | Abdelli, W.B, Moynie, L, McMahon, S.A, Liu, H, Alphey, M.S, Naismith, J.H. | | Deposit date: | 2010-10-15 | | Release date: | 2010-12-29 | | Last modified: | 2015-08-19 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 2013
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