5N0N
 
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5N0U
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5O3X
 | | Structural characterization of the fast and promiscuous macrocyclase from plant - apo PCY1 | | Descriptor: | CACODYLATE ION, Peptide cyclase 1 | | Authors: | Ludewig, H, Czekster, C.M, Bent, A.F, Naismith, J.H. | | Deposit date: | 2017-05-25 | | Release date: | 2018-02-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Characterization of the Fast and Promiscuous Macrocyclase from Plant PCY1 Enables the Use of Simple Substrates.
ACS Chem. Biol., 13, 2018
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5N0S
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5N0X
 | | Crystal structure of OphA-DeltaC6 in complex with SAM | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Peptide N-Methyltransferase, ... | | Authors: | Song, H, Naismith, J.H. | | Deposit date: | 2017-02-03 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
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5N4E
 | | Prolyl oligopeptidase B from Galerina marginata bound to 35mer hydrolysis and macrocyclization substrate - H698A mutant | | Descriptor: | Alpha-amanitin proprotein, GLYCEROL, Prolyl oligopeptidase | | Authors: | Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H. | | Deposit date: | 2017-02-10 | | Release date: | 2017-11-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Nat Commun, 8, 2017
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5N0W
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5NEC
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4B7X
 | | Crystal structure of hypothetical protein PA1648 from Pseudomonas aeruginosa. | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROBABLE OXIDOREDUCTASE | | Authors: | Alphey, M.S, McMahon, S.A, Duthie, F, Naismith, J.H. | | Deposit date: | 2012-08-24 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 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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4B0J
 | | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with 5-(2- thienyl)-3-isoxazolyl methanol | | Descriptor: | (5-thiophen-2-ylisoxazol-3-yl)methanol, 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE | | Authors: | Moynie, L, McMahon, S.A, Duthie, F.G, Naismith, J.H. | | Deposit date: | 2012-07-02 | | Release date: | 2012-11-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 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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3ZXX
 | | Structure of self-cleaved protease domain of PatA | | Descriptor: | SUBTILISIN-LIKE PROTEIN | | Authors: | Koehnke, J, Zollman, D, Vendome, J, Raab, A, Houssen, W.E, Smith, M.C, Jaspars, M, Naismith, J.H. | | Deposit date: | 2011-08-16 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Discovery of New Cyanobactins from Cyanothece Pcc 7425 Defines a New Signature for Processing of Patellamides.
Chembiochem, 13, 2012
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4B0I
 | | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) mutant (H70N) from Pseudomonas aeruginosa in complex with 3-hydroxydecanoyl-N-acetyl cysteamine | | Descriptor: | 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE, S-[2-(acetylamino)ethyl] (3R)-3-hydroxydecanethioate | | Authors: | Moynie, L, McMahon, S.A, Leckie, S.M, Duthie, F.G, Koehnke, A, Naismith, J.H. | | Deposit date: | 2012-07-02 | | Release date: | 2012-11-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.03 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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4B8U
 | | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with N- isobutyl-2-(5-(2-thienyl)-1,2-oxazol-3-yl-)methoxy)acetamide | | Descriptor: | 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE, N-isobutyl-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide, SULFATE ION | | Authors: | Moynie, L, McMahon, S.A, Duthie, F.G, Brenk, R, Naismith, J.H. | | Deposit date: | 2012-08-30 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structural Insights Into the Mechanism and Inhibition of the Beta-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase from Pseudomonasaeruginosa.
J.Mol.Biol., 425, 2013
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4B0B
 | | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with 3-(pyridin-2-yloxy)aniline | | Descriptor: | 3-(pyridin-2-yloxy)aniline, 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE | | Authors: | Moynie, L, McMahon, S.A, Duthie, F.G, Taylor, J.W, Naismith, J.H. | | Deposit date: | 2012-07-01 | | Release date: | 2012-11-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Insights Into the Mechanism and Inhibition of the Beta-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase from Pseudomonasaeruginosa.
J.Mol.Biol., 425, 2013
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4B7C
 | | Crystal structure of hypothetical protein PA1648 from Pseudomonas aeruginosa. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PROBABLE OXIDOREDUCTASE | | Authors: | Alphey, M.S, McMahon, S.A, Duthie, F.G, Naismith, J.H. | | Deposit date: | 2012-08-17 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 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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4AAY
 | | Crystal Structure of the arsenite oxidase protein complex from Rhizobium species strain NT-26 | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, AROA, AROB, ... | | Authors: | Oke, M, Santini, J.M, Naismith, J.H. | | Deposit date: | 2011-12-05 | | Release date: | 2012-12-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Respiratory Arsenite Oxidase: Structure and the Role of Residues Surrounding the Rieske Cluster.
Plos One, 8, 2013
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4B0C
 | | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with 3-(pentylthio)-4H-1,2,4-triazole | | Descriptor: | 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE, 5-(pentylsulfanyl)-1H-1,2,4-triazole | | Authors: | Moynie, L, McMahon, S.A, Duthie, F.G, Naismith, J.H. | | Deposit date: | 2012-07-01 | | Release date: | 2012-11-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Insights Into the Mechanism and Inhibition of the Beta-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase from Pseudomonasaeruginosa.
J.Mol.Biol., 425, 2013
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4AKS
 | | PatG macrocyclase domain | | Descriptor: | THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE | | Authors: | Koehnke, J, Bent, A, Houssen, W.E, Zollman, D, Morawitz, F, Shirran, S, Vendome, J, Nneoyiegbe, A.F, Trembleau, L, Botting, C.H, Smith, M.C.M, Jaspars, M, Naismith, J.H. | | Deposit date: | 2012-02-28 | | Release date: | 2012-07-18 | | Last modified: | 2013-11-06 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | The Mechanism of Patellamide Macrocyclization Revealed by the Characterization of the Patg Macrocyclase Domain.
Nat.Struct.Mol.Biol., 19, 2012
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3ZXY
 | | Structure of S218A mutant of the protease domain of PatA | | Descriptor: | SUBTILISIN-LIKE PROTEIN | | Authors: | Koehnke, J, Zollman, D, Vendome, J, Raab, A, Houssen, W.E, Smith, M.C, Jaspars, M, Naismith, J.H. | | Deposit date: | 2011-08-16 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | The Discovery of New Cyanobactins from Cyanothece Pcc 7425 Defines a New Signature for Processing of Patellamides.
Chembiochem, 13, 2012
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4AKT
 | | PatG macrocyclase in complex with peptide | | Descriptor: | SUBSTRATE ANALOGUE, THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE | | Authors: | Koehnke, J, Bent, A, Houssen, W.E, Zollman, D, Morawitz, F, Shirran, S, Vendome, J, Nneoyiegbe, A.F, Trembleau, L, Botting, C.H, Smith, M.C.M, Jaspars, M, Naismith, J.H. | | Deposit date: | 2012-02-28 | | Release date: | 2012-07-18 | | Last modified: | 2013-11-06 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | The Mechanism of Patellamide Macrocyclization Revealed by the Characterization of the Patg Macrocyclase Domain.
Nat.Struct.Mol.Biol., 19, 2012
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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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4B3U
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4(1H,3H)-dione, CHLORIDE ION, ... | | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H. | | Deposit date: | 2012-07-26 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
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4B4B
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | 1-(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H. | | Deposit date: | 2012-07-30 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
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4B42
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H. | | Deposit date: | 2012-07-27 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.505 Å) | | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
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4AI5
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