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8AG9
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Thermogutta terrifontis endoglucanase of glycoside hydrolase family 5 (TtEnd5A)
分子名称: Endoglucanase, SULFATE ION
著者Hussain, N, Mikolajek, H, Naismith, J.H.
登録日2022-07-19
公開日2022-08-17
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Thermogutta terrifontis endoglucanase of glycoside hydrolase family 5 (TtEnd5A)
To Be Published
8AP0
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BU of 8ap0 by Molmil
ForT Mutant T138V
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 4-azanyl-1~{H}-pyrazole-3,5-dicarboxylic acid, Beta-ribofuranosylaminobenzene 5'-phosphate synthase, ...
著者Li, W, Naismith, J.H.
登録日2022-08-09
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Experimental and computational snapshots of C-C bond formation in a C-nucleoside synthase.
Open Biology, 13, 2023
8AOZ
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BU of 8aoz by Molmil
ForT Mutant L24A
分子名称: 1,2-ETHANEDIOL, 4-azanyl-3-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-1~{H}-pyrazole-5-carboxylic acid, Beta-ribofuranosylaminobenzene 5'-phosphate synthase, ...
著者Li, W, Naismith, J.H.
登録日2022-08-09
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Experimental and computational snapshots of C-C bond formation in a C-nucleoside synthase.
Open Biology, 13, 2023
8B3Y
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Native Thermogutta terrifontis endoglucanase catalytic domain with a linker at C-terminal from glycoside hydrolase family 5 (TtEnd5A-CDC)
分子名称: Endoglucanase, SULFATE ION
著者Hussain, N, Naismith, J.H, Mikolajek, H.
登録日2022-09-17
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Native Thermogutta terrifontis endoglucanase catalytic domain and linker at C-terminal from glycoside hydrolase family 5 (TtEnd5A-CDC)
To Be Published
1I3H
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BU of 1i3h by Molmil
CONCANAVALIN A-DIMANNOSE STRUCTURE
分子名称: CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ...
著者Sanders, D.A.R, Moothoo, D.N, Raftery, J, Howard, A.J, Helliwell, J.R, Naismith, J.H.
登録日2001-02-15
公開日2001-07-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The 1.2 A resolution structure of the Con A-dimannose complex.
J.Mol.Biol., 310, 2001
1KET
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BU of 1ket by Molmil
The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Streptococcus suis with thymidine diphosphate bound
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, THYMIDINE-5'-DIPHOSPHATE, dTDP-D-glucose 4,6-dehydratase
著者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.
登録日2001-11-17
公開日2002-01-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Toward a structural understanding of the dehydratase mechanism.
Structure, 10, 2002
1KEU
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The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Salmonella enterica serovar Typhimurium with dTDP-D-glucose bound
分子名称: 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, dTDP-D-glucose 4,6-dehydratase
著者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.
登録日2001-11-17
公開日2002-01-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Toward a structural understanding of the dehydratase mechanism.
Structure, 10, 2002
1KEP
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The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Streptococcus suis with dTDP-xylose bound
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, THYMIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE, ...
著者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.
登録日2001-11-16
公開日2002-01-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Toward a structural understanding of the dehydratase mechanism.
Structure, 10, 2002
1KEW
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BU of 1kew by Molmil
The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Salmonella enterica serovar Typhimurium with thymidine diphosphate bound
分子名称: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, THYMIDINE-5'-DIPHOSPHATE, ...
著者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.
登録日2001-11-17
公開日2002-01-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Toward a structural understanding of the dehydratase mechanism.
Structure, 10, 2002
1KER
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BU of 1ker by Molmil
The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Streptococcus suis with dTDP-D-glucose bound
分子名称: 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
著者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.
登録日2001-11-17
公開日2002-01-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Toward a structural understanding of the dehydratase mechanism.
Structure, 10, 2002
6QZY
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full length OphA V406P in complex with SAH
分子名称: ASN-GLY-PHE-PRO-TRP-MVA-ILE-MVA-VAL-GLY-PRO-ILE-GLY, MAGNESIUM ION, Peptide N-methyltransferase, ...
著者Song, H, Naismith, J.H.
登録日2019-03-12
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase.
Acs Chem.Biol., 15, 2020
6QZZ
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full length OphA V404E in complex with SAH
分子名称: Peptide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Song, H, Naismith, J.H.
登録日2019-03-12
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase.
Acs Chem.Biol., 15, 2020
6R00
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BU of 6r00 by Molmil
OphA DeltaC6 V404F complex with SAH
分子名称: PHE-PRO-TRP-MVA-ILE-MVA-PHE-GLY-VAL-ILE-GLY-VAL-ILE-GLY, Peptide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Song, H, Naismith, J.H.
登録日2019-03-12
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase.
Acs Chem.Biol., 15, 2020
6QGM
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BU of 6qgm by Molmil
VirX1 apo structure
分子名称: VirX1
著者Gkotsi, D.S, Ludewig, H, Sharma, S.V, Unsworth, W.P, Taylor, R.J.K, McLachlan, M.M.W, Shanahan, S, Naismith, J.H, Goss, R.J.M.
登録日2019-01-11
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A marine viral halogenase that iodinates diverse substrates.
Nat.Chem., 11, 2019
6R1F
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BU of 6r1f by Molmil
Crystal structure of the ferric enterobactin receptor mutant R480A from Pseudomonas aeruginosa (PfeA) in complex with enterobactin
分子名称: 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)
著者Moynie, L, Naismith, J.H.
登録日2019-03-14
公開日2019-04-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
6Q5E
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BU of 6q5e by Molmil
Crystal structure of the ferric enterobactin receptor from Pseudomonas aeruginosa (PfeA) in complex with enterobactin
分子名称: (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, ...
著者Moynie, L, Naismith, J.H.
登録日2018-12-07
公開日2019-01-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
5FUH
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BU of 5fuh by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
著者Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H.
登録日2016-01-27
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
5FP2
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BU of 5fp2 by Molmil
Crystal structure of the siderophore receptor PirA from Pseudomonas aeruginosa
分子名称: FERRIC ENTEROBACTIN RECEPTOR PIRA, N-OCTANE, SULFATE ION
著者Moynie, L, Tortajada, A, Naismith, J.H.
登録日2015-11-27
公開日2015-12-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Structure and Function of the PiuA and PirA Siderophore-Drug Receptors from Pseudomonas aeruginosa and Acinetobacter baumannii.
Antimicrob. Agents Chemother., 61, 2017
5FTS
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BU of 5fts by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
著者Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H.
登録日2016-01-14
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
5FU0
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BU of 5fu0 by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
著者Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H.
登録日2016-01-19
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
5FLL
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BU of 5fll by Molmil
Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW) from Bacillus subtilis in complex with a Pimeloyl-adenylate
分子名称: 6-CARBOXYHEXANOATE-COA LIGASE, MAGNESIUM ION, PIMELOYL-AMP, ...
著者Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H.
登録日2015-10-26
公開日2016-11-16
最終更新日2018-06-13
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters.
Nat. Chem. Biol., 13, 2017
5FU8
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BU of 5fu8 by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
著者Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H.
登録日2016-01-21
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
5FP1
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Crystal structure of the siderophore receptor PiuA from Acinetobacter baumannii
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, PHOSPHATE ION, TONB-DEPENDENT SIDEROPHORE RECEPTOR
著者Moynie, L, Tortajada, A, Naismith, J.H.
登録日2015-11-26
公開日2016-05-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structure and Function of the PiuA and PirA Siderophore-Drug Receptors from Pseudomonas aeruginosa and Acinetobacter baumannii.
Antimicrob. Agents Chemother., 61, 2017
5FYE
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BU of 5fye by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
著者Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H.
登録日2016-03-07
公開日2017-03-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
5FOK
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Crystal structure of the siderophore receptor PiuA from Pseudomonas aeruginosa
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, IRON TRANSPORT OUTER MEMBRANE RECEPTOR, SODIUM ION, ...
著者Moynie, L, Naismith, J.H.
登録日2015-11-23
公開日2016-05-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and Function of the PiuA and PirA Siderophore-Drug Receptors from Pseudomonas aeruginosa and Acinetobacter baumannii.
Antimicrob. Agents Chemother., 61, 2017

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