1ABQ
 
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1AWO
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4ASJ
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide, ... | | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H. | | Deposit date: | 2012-05-01 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 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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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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4B2W
 | | 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, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H. | | Deposit date: | 2012-07-18 | | Release date: | 2013-05-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 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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4B4M
 | | 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, Westwood, N.J, Gray, D, Naismith, J.H. | | Deposit date: | 2012-07-31 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
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8R9W
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8R9Y
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8R9Z
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8R9X
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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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1SHF
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7EYI
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5W6J
 | | Agrobacterium tumefaciens ADP-glucose pyrophosphorylase | | Descriptor: | Glucose-1-phosphate adenylyltransferase, SULFATE ION | | Authors: | Mascarenhas, R.N, Hill, B.L, Wu, R, Ballicora, M.A, Liu, D. | | Deposit date: | 2017-06-16 | | Release date: | 2018-11-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural analysis reveals a pyruvate-binding activator site in theAgrobacterium tumefaciensADP-glucose pyrophosphorylase.
J. Biol. Chem., 294, 2019
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5W5T
 | | Agrobacterium tumefaciens ADP-Glucose Pyrophosphorylase bound to activator ethyl pyruvate | | Descriptor: | GLYCEROL, Glucose-1-phosphate adenylyltransferase, SULFATE ION, ... | | Authors: | Mascarenhas, R.N, Hill, B.L, Ballicora, M.A, Liu, D. | | Deposit date: | 2017-06-15 | | Release date: | 2018-11-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural analysis reveals a pyruvate-binding activator site in theAgrobacterium tumefaciensADP-glucose pyrophosphorylase.
J. Biol. Chem., 294, 2019
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5W5R
 | | Agrobacterium tumefaciens ADP-glucose pyrophosphorylase P96A mutant bound to activator pyruvate | | Descriptor: | Glucose-1-phosphate adenylyltransferase, PYRUVIC ACID, SULFATE ION | | Authors: | Mascarenhas, R.N, Hill, B.L, Ballicora, M.A, Liu, D. | | Deposit date: | 2017-06-15 | | Release date: | 2018-11-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.754 Å) | | Cite: | Structural analysis reveals a pyruvate-binding activator site in theAgrobacterium tumefaciensADP-glucose pyrophosphorylase.
J. Biol. Chem., 294, 2019
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5KJK
 | | SMYD2 in complex with AZ370 | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide, N-lysine methyltransferase SMYD2, ... | | Authors: | Ferguson, A. | | Deposit date: | 2016-06-20 | | Release date: | 2016-12-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
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5KJL
 | | SMYD2 in complex with AZ378 | | Descriptor: | N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ZINC ION | | Authors: | Ferguson, A. | | Deposit date: | 2016-06-20 | | Release date: | 2016-12-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
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5KJN
 | | SMYD2 in complex with AZ506 | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 5-[2-[4-[2-(1~{H}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide, N-lysine methyltransferase SMYD2, ... | | Authors: | Ferguson, A. | | Deposit date: | 2016-06-20 | | Release date: | 2016-12-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
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8DHK
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8DYJ
 | | Crystal structure of human methylmalonyl-CoA mutase in complex with ADP and cob(II)alamin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, COBALAMIN, Methylmalonyl-CoA mutase, ... | | Authors: | Mascarenhas, R.N, Gouda, H, Banerjee, R. | | Deposit date: | 2022-08-04 | | Release date: | 2023-07-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Bivalent molecular mimicry by ADP protects metal redox state and promotes coenzyme B 12 repair.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8DYL
 | | Crystal structure of human methylmalonyl-CoA mutase bound to aquocobalamin | | Descriptor: | COBALAMIN, GLYCEROL, Methylmalonyl-CoA mutase, ... | | Authors: | Mascarenhas, R.N, Gouda, H, Banerjee, R. | | Deposit date: | 2022-08-04 | | Release date: | 2023-07-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bivalent molecular mimicry by ADP protects metal redox state and promotes coenzyme B 12 repair.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5KJM
 | | SMYD2 in complex with AZ931 | | Descriptor: | 6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ... | | Authors: | Ferguson, A. | | Deposit date: | 2016-06-20 | | Release date: | 2016-12-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
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