5FLL
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![BU of 5fll by Molmil](/molmil-images/mine/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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5FLG
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![BU of 5flg by Molmil](/molmil-images/mine/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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1I3H
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![BU of 1i3h by Molmil](/molmil-images/mine/1i3h) | CONCANAVALIN A-DIMANNOSE STRUCTURE | Descriptor: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | Authors: | Sanders, D.A.R, Moothoo, D.N, Raftery, J, Howard, A.J, Helliwell, J.R, Naismith, J.H. | Deposit date: | 2001-02-15 | Release date: | 2001-07-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The 1.2 A resolution structure of the Con A-dimannose complex. J.Mol.Biol., 310, 2001
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1KEP
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![BU of 1kep by Molmil](/molmil-images/mine/1kep) | The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Streptococcus suis with dTDP-xylose bound | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, THYMIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE, ... | Authors: | Allard, S.T.M, Beis, K, Giraud, M.-F, Hegeman, A.D, Gross, J.W, Whitfield, C, Graninger, M, Messner, P, Allen, A.G, Naismith, J.H. | Deposit date: | 2001-11-16 | Release date: | 2002-01-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Toward a structural understanding of the dehydratase mechanism. Structure, 10, 2002
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1RQR
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![BU of 1rqr by Molmil](/molmil-images/mine/1rqr) | Crystal structure and mechanism of a bacterial fluorinating enzyme, product complex | Descriptor: | 5'-FLUORO-5'-DEOXYADENOSINE, 5'-fluoro-5'-deoxyadenosine synthase, METHIONINE | Authors: | Dong, C, Huang, F, Deng, H, Schaffrath, C, Spencer, J.B, O'Hagan, D, Naismith, J.H. | Deposit date: | 2003-12-07 | Release date: | 2004-03-02 | Last modified: | 2022-06-15 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Crystal structure and mechanism of a bacterial fluorinating enzyme Nature, 427, 2004
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1KER
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![BU of 1ker by Molmil](/molmil-images/mine/1ker) | The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Streptococcus suis with dTDP-D-glucose bound | Descriptor: | 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | Authors: | Allard, S.T.M, Beis, K, Giraud, M.-F, Hegeman, A.D, Gross, J.W, Whitfield, C, Graninger, M, Messner, P, Allen, A.G, Naismith, J.H. | Deposit date: | 2001-11-17 | Release date: | 2002-01-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Toward a structural understanding of the dehydratase mechanism. Structure, 10, 2002
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5FM0
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![BU of 5fm0 by Molmil](/molmil-images/mine/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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1OI6
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![BU of 1oi6 by Molmil](/molmil-images/mine/1oi6) | Structure determination of the TMP-complex of EvaD | Descriptor: | GLYCEROL, PCZA361.16, THYMIDINE-5'-PHOSPHATE | Authors: | Merkel, A.B, Naismith, J.H. | Deposit date: | 2003-06-09 | Release date: | 2004-06-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Position of a Key Tyrosine in Dtdp-4-Keto-6-Deoxy-D-Glucose-5-Epimerase (Evad) Alters the Substrate Profile for This Rmlc-Like Enzyme J.Biol.Chem., 279, 2004
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1KEU
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![BU of 1keu by Molmil](/molmil-images/mine/1keu) | The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Salmonella enterica serovar Typhimurium with dTDP-D-glucose bound | Descriptor: | 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, dTDP-D-glucose 4,6-dehydratase | Authors: | Allard, S.T.M, Beis, K, Giraud, M.-F, Hegeman, A.D, Gross, J.W, Whitfield, C, Graninger, M, Messner, P, Allen, A.G, Naismith, J.H. | Deposit date: | 2001-11-17 | Release date: | 2002-01-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Toward a structural understanding of the dehydratase mechanism. Structure, 10, 2002
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6I2J
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![BU of 6i2j by Molmil](/molmil-images/mine/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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1KET
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![BU of 1ket by Molmil](/molmil-images/mine/1ket) | The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Streptococcus suis with thymidine diphosphate bound | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, THYMIDINE-5'-DIPHOSPHATE, dTDP-D-glucose 4,6-dehydratase | Authors: | Allard, S.T.M, Beis, K, Giraud, M.-F, Hegeman, A.D, Gross, J.W, Whitfield, C, Graninger, M, Messner, P, Allen, A.G, Naismith, J.H. | Deposit date: | 2001-11-17 | Release date: | 2002-01-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Toward a structural understanding of the dehydratase mechanism. Structure, 10, 2002
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6H7F
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![BU of 6h7f by Molmil](/molmil-images/mine/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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5LQ4
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![BU of 5lq4 by Molmil](/molmil-images/mine/5lq4) | The Structure of ThcOx, the First Oxidase Protein from the Cyanobactin Pathways | Descriptor: | CyaGox, FLAVIN MONONUCLEOTIDE | Authors: | Bent, A.F, Wagner, A, Naismith, J.H. | Deposit date: | 2016-08-16 | Release date: | 2016-11-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of the cyanobactin oxidase ThcOx from Cyanothece sp. PCC 7425, the first structure to be solved at Diamond Light Source beamline I23 by means of S-SAD. Acta Crystallogr D Struct Biol, 72, 2016
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6H7V
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![BU of 6h7v by Molmil](/molmil-images/mine/6h7v) | |
5FUH
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![BU of 5fuh by Molmil](/molmil-images/mine/5fuh) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | Authors: | Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. | Deposit date: | 2016-01-27 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa. To be Published
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6HCP
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![BU of 6hcp by Molmil](/molmil-images/mine/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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5FU0
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![BU of 5fu0 by Molmil](/molmil-images/mine/5fu0) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | Authors: | Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. | Deposit date: | 2016-01-19 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa. To be Published
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6Q5E
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![BU of 6q5e by Molmil](/molmil-images/mine/6q5e) | Crystal structure of the ferric enterobactin receptor from Pseudomonas aeruginosa (PfeA) in complex with enterobactin | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, FE (III) ION, Ferric enterobactin receptor, ... | Authors: | Moynie, L, Naismith, J.H. | Deposit date: | 2018-12-07 | Release date: | 2019-01-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 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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1O7I
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![BU of 1o7i by Molmil](/molmil-images/mine/1o7i) | |
5FU8
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![BU of 5fu8 by Molmil](/molmil-images/mine/5fu8) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | Authors: | Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. | Deposit date: | 2016-01-21 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa. To be Published
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5FYE
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![BU of 5fye by Molmil](/molmil-images/mine/5fye) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | Authors: | Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. | Deposit date: | 2016-03-07 | Release date: | 2017-03-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa. To be Published
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5FTV
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![BU of 5ftv by Molmil](/molmil-images/mine/5ftv) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | Authors: | Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. | Deposit date: | 2016-01-18 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.213 Å) | Cite: | Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa. To be Published
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6QZY
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![BU of 6qzy by Molmil](/molmil-images/mine/6qzy) | full length OphA V406P in complex with SAH | Descriptor: | ASN-GLY-PHE-PRO-TRP-MVA-ILE-MVA-VAL-GLY-PRO-ILE-GLY, MAGNESIUM ION, Peptide N-methyltransferase, ... | Authors: | Song, H, Naismith, J.H. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase. Acs Chem.Biol., 15, 2020
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6QZZ
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![BU of 6qzz by Molmil](/molmil-images/mine/6qzz) | full length OphA V404E in complex with SAH | Descriptor: | Peptide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Song, H, Naismith, J.H. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase. Acs Chem.Biol., 15, 2020
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6R00
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![BU of 6r00 by Molmil](/molmil-images/mine/6r00) | OphA DeltaC6 V404F complex with SAH | Descriptor: | PHE-PRO-TRP-MVA-ILE-MVA-PHE-GLY-VAL-ILE-GLY-VAL-ILE-GLY, Peptide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Song, H, Naismith, J.H. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase. Acs Chem.Biol., 15, 2020
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