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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2QII
| Crystal Structure Of tRNA-Guanine Transglycosylase (TGT) From Zymomonas mobilis Complexed With Archaeosine Precursor, Preq0 | Descriptor: | 2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Tidten, N, Brenk, R, Heine, A, Reuter, K, Klebe, G. | Deposit date: | 2007-07-04 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Glutamate versus glutamine exchange swaps substrate selectivity in tRNA-guanine transglycosylase: insight into the regulation of substrate selectivity by kinetic and crystallographic studies. J.Mol.Biol., 374, 2007
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3BZ9
| Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II | Descriptor: | (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Allingham, J.S, Rayment, I. | Deposit date: | 2008-01-17 | Release date: | 2008-02-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The small molecule tool (S)-(-)-blebbistatin: novel insights of relevance to myosin inhibitor design. Org.Biomol.Chem., 6, 2008
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3BZ8
| Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II | Descriptor: | (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Allingham, J.S, Rayment, I. | Deposit date: | 2008-01-17 | Release date: | 2008-02-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The small molecule tool (S)-(-)-blebbistatin: novel insights of relevance to myosin inhibitor design. Org.Biomol.Chem., 6, 2008
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4A2Z
| CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | Descriptor: | 4-METHOXY-2,3,6-TRIMETHYL-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, CHLORIDE ION, GLYCEROL, ... | Authors: | Robinson, D.A, Brand, S, Fairlamb, A.H, Ferguson, M.A.J, Frearson, J.A, Wyatt, P.G. | Deposit date: | 2011-09-29 | Release date: | 2011-12-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors. J. Med. Chem., 55, 2012
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3EOR
| Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, GERANYL DIPHOSPHATE, SODIUM ION, ... | Authors: | Hunter, W.N, Ramsden, N.L, Dawson, A. | Deposit date: | 2008-09-29 | Release date: | 2009-08-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
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3FBA
| Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, GERANYL DIPHOSPHATE, GLYCEROL, ... | Authors: | Hunter, W.N, Ramsden, N.L. | Deposit date: | 2008-11-19 | Release date: | 2009-08-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
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3ESJ
| Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one, GERANYL DIPHOSPHATE, ... | Authors: | Hunter, W.N, Ramsden, N.L. | Deposit date: | 2008-10-06 | Release date: | 2009-08-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
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2WSA
| Crystal Structure of Leishmania major N-myristoyltransferase (NMT) with bound myristoyl-CoA and a pyrazole sulphonamide ligand (DDD85646) | Descriptor: | 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | Authors: | Robinson, D.A, Brand, S, Fairlamb, A.H, Ferguson, M.A.J, Frearson, J.A, Wyatt, P.G, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-04 | Release date: | 2010-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | N-Myristoyltransferase Inhibitors as New Leads to Treat Sleeping Sickness. Nature, 464, 2010
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4B7V
| Structure of wild type Pseudomonas aeruginosa FabF (KASII) | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2, POTASSIUM ION | Authors: | Lecker, L, Baum, B, Zoltner, M, Hunter, W.N. | Deposit date: | 2012-08-22 | Release date: | 2013-09-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structures of Pseudomonas Aeruginosa Beta-Keto-Acyl-(Acyl-Carrier-Protein) Synthase II (Fabf) and a C164Q Mutant Provide Templates for Antibacterial Drug Discovery and Identify a Buried Potassium Ion and a Ligand-Binding Site that is an Artefact of the Crystal Form Acta Crystallogr.,Sect.F, 71, 2015
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3ELC
| Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one, GERANYL DIPHOSPHATE, ... | Authors: | Hunter, W.N, Ramsden, N.L, Ulaganathan, V. | Deposit date: | 2008-09-22 | Release date: | 2009-08-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
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3ERN
| Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with AraCMP | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTOSINE ARABINOSE-5'-PHOSPHATE, GERANYL DIPHOSPHATE, ... | Authors: | Hunter, W.N, Ramsden, N.L, Kemp, L.A. | Deposit date: | 2008-10-02 | Release date: | 2009-08-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
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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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4B5B
| 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,3-dimethylbenzenesulfonamide | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H. | Deposit date: | 2012-08-03 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.055 Å) | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. ACS Chem. Biol., 8, 2013
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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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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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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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4B4G
| 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: | 2012-07-30 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. ACS Chem. Biol., 8, 2013
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4ARW
| 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: | 2012-04-26 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.204 Å) | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. ACS Chem. Biol., 8, 2013
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4A30
| CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | Descriptor: | 4-BROMO-2,6-DICHLORO-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, CHLORIDE ION, GLYCEROL, ... | Authors: | Robinson, D.A, Brand, S, Fairlamb, A.H, Ferguson, M.A.J, Frearson, J.A, Wyatt, P.G. | Deposit date: | 2011-09-29 | Release date: | 2011-12-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors. J. Med. Chem., 55, 2012
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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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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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5T6E
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5T5U
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