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5E3P
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Crystal structure of DapD from Corynebacterium glutamicum
分子名称: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase, SULFATE ION, TETRAETHYLENE GLYCOL
著者Sagong, H.-Y, Kim, K.-J.
登録日2015-10-03
公開日2015-11-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal Structure and Biochemical Characterization of Tetrahydrodipicolinate N-Succinyltransferase from Corynebacterium glutamicum.
J.Agric.Food Chem., 63, 2015
6G4O
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Non-aged form of Torpedo californica acetylcholinesterase inhibited by tabun analog NEDPA bound to uncharged reactivator 1
分子名称: 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
著者Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F.
登録日2018-03-28
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
6G4P
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Non-aged form of Torpedo californica acetylcholinesterase inhibited by tabun analog NEDPA bound to uncharged reactivator 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(~{Z})-hydroxyiminomethyl]pyridin-3-ol, Acetylcholinesterase, ...
著者Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F.
登録日2018-03-28
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
8GKF
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BU of 8gkf by Molmil
Phosphopantetheinyl transferase PptT from Mycobacterium tuberculosis in complex with Raltitrexed.
分子名称: 4'-phosphopantetheinyl transferase PptT, TOMUDEX
著者Krieger, I.V, Singh, A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2023-03-18
公開日2024-03-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Redirecting raltitrexed from cancer cell thymidylate synthase to Mycobacterium tuberculosis phosphopantetheinyl transferase.
Sci Adv, 10, 2024
5X6F
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Crystal structure of Phosphopantetheine adenylyltransferase from Pseudomonas aeruginosa
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Phosphopantetheine adenylyltransferase
著者Mondal, A, Chatterjee, R, Datta, S.
登録日2017-02-21
公開日2018-02-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.593 Å)
主引用文献Umbrella Sampling and X-ray Crystallographic Analysis Unveil an Arg-Asp Gate Facilitating Inhibitor Binding Inside Phosphopantetheine Adenylyltransferase Allosteric Cleft.
J Phys Chem B, 122, 2018
7MCO
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BU of 7mco by Molmil
Crystal Structure of Tetur04g02350
分子名称: UDP-glycosyltransferase 203A2, URIDINE-5'-DIPHOSPHATE
著者Danehsian, L, Kluza, A, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M.
登録日2021-04-02
公開日2022-04-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Tetur04g02350
To Be Published
4E2W
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X-ray Structure of the H181N mutant of TcaB9, a C-3'-Methyltransferase, in Complex with S-Adenosyl-L-Homocysteine and Sugar Product
分子名称: (2R,4S,6R)-4-amino-4,6-dimethyl-5-oxotetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Bruender, N.A, Holden, H.M.
登録日2012-03-09
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Probing the catalytic mechanism of a C-3'-methyltransferase involved in the biosynthesis of D-tetronitrose.
Protein Sci., 21, 2012
4E33
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X-ray Structure of the C-3'-Methyltransferase TcaB9 in Complex with S-Adenosyl-L-Homocysteine and Reduced dTDP-Sugar Substrate
分子名称: (2R,4S,5R,6R)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate, S-ADENOSYL-L-HOMOCYSTEINE, TcaB9, ...
著者Bruender, N.A, Holden, H.M.
登録日2012-03-09
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Probing the catalytic mechanism of a C-3'-methyltransferase involved in the biosynthesis of D-tetronitrose.
Protein Sci., 21, 2012
3VTE
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BU of 3vte by Molmil
Crystal structure of tetrahydrocannabinolic acid synthase from Cannabis sativa
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, Tetrahydrocannabinolic acid synthase
著者Shoyama, Y, Tamada, T, Kurihara, K, Takeuchi, A, Taura, F, Arai, S, Blaber, M, Shoyama, Y, Morimoto, S, Kuroki, R.
登録日2012-05-28
公開日2012-07-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure and function of 1-tetrahydrocannabinolic acid (THCA) synthase, the enzyme controlling the psychoactivity of Cannabis sativa
J.Mol.Biol., 423, 2012
6PMU
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BU of 6pmu by Molmil
Structural Characterization of Beta Cyanoalanine Synthase from Tetranychus Urticae
分子名称: Beta-cyanoalanine synthase, PYRIDOXAL-5'-PHOSPHATE
著者Daneshian, L, Schlachter, C, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M.
登録日2019-07-02
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Characterization of Beta Cyanoalanine Synthase from Tetranychus Urticae
To Be Published
6PNT
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BU of 6pnt by Molmil
Structural Characterization of UDP-glycosyltransferase from Tetranychus Urticae
分子名称: UDP-glycosyltransferase 202A2
著者Daneshian, L, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M.
登録日2019-07-03
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Characterization of UDP-glycosyltransferase from Tetranychus Urticae
To Be Published
4QVH
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BU of 4qvh by Molmil
Crystal structure of the essential Mycobacterium tuberculosis phosphopantetheinyl transferase PptT, solved as a fusion protein with maltose binding protein
分子名称: CITRATE ANION, COENZYME A, GLYCEROL, ...
著者Jung, J, Bashiri, G, Johnston, J.M, Baker, E.N.
登録日2014-07-15
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of the essential Mycobacterium tuberculosis phosphopantetheinyl transferase PptT, solved as a fusion protein with maltose binding protein.
J.Struct.Biol., 188, 2014
4E2Y
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BU of 4e2y by Molmil
X-ray Structure of the E224Q mutant of TcaB9, a C-3'-Methyltransferase, in Complex with S-Adenosyl-L-Homocysteine and Sugar Product
分子名称: (2R,4S,6R)-4-amino-4,6-dimethyl-5-oxotetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), S-ADENOSYL-L-HOMOCYSTEINE, TcaB9, ...
著者Bruender, N.A, Holden, H.M.
登録日2012-03-09
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Probing the catalytic mechanism of a C-3'-methyltransferase involved in the biosynthesis of D-tetronitrose.
Protein Sci., 21, 2012
4E32
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BU of 4e32 by Molmil
X-ray Structure of the C-3'-Methyltransferase TcaB9 in Complex with S-Adenosyl-L-Homocysteine and dTDP-Sugar Substrate
分子名称: (2R,4S,6R)-4-amino-6-methyl-5-oxotetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate, 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Bruender, N.A, Holden, H.M.
登録日2012-03-09
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Probing the catalytic mechanism of a C-3'-methyltransferase involved in the biosynthesis of D-tetronitrose.
Protein Sci., 21, 2012
4E31
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X-ray Structure of the Y76F mutant of TcaB9, a C-3'-Methyltransferase, in Complex with S-Adenosyl-L-Homocysteine and Sugar Product
分子名称: (2R,4S,6R)-4-amino-4,6-dimethyl-5-oxotetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Bruender, N.A, Holden, H.M.
登録日2012-03-09
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Probing the catalytic mechanism of a C-3'-methyltransferase involved in the biosynthesis of D-tetronitrose.
Protein Sci., 21, 2012
5YH7
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BU of 5yh7 by Molmil
Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Coenzyme A at 2.0 A resolution
分子名称: COENZYME A, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P.
登録日2017-09-27
公開日2017-10-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural and binding studies of phosphopantetheine adenylyl transferase from Acinetobacter baumannii.
Biochim Biophys Acta Proteins Proteom, 1867, 2019
3ND6
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BU of 3nd6 by Molmil
Crystal structure of phosphopantetheine adenylyltransferase (PPAT) in complex with ATP from Enterococcus faecalis
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Phosphopantetheine adenylyltransferase
著者Yoon, H.J, Lee, H.H, Suh, S.W.
登録日2010-06-07
公開日2011-06-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of phosphopantetheine adenylyltransferase from Enterococcus faecalis in the ligand-unbound state and in complex with ATP and pantetheine
Mol.Cells, 32, 2011
4E2Z
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BU of 4e2z by Molmil
X-ray Structure of the H225N mutant of TcaB9, a C-3'-Methyltransferase, in Complex with S-Adenosyl-L-Homocysteine and Sugar Product
分子名称: (2R,4S,6R)-4-amino-4,6-dimethyl-5-oxotetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Bruender, N.A, Holden, H.M.
登録日2012-03-09
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Probing the catalytic mechanism of a C-3'-methyltransferase involved in the biosynthesis of D-tetronitrose.
Protein Sci., 21, 2012
6ECQ
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The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with NADP and inhibitor LY345899
分子名称: METHYLENETETRAHYDROFOLATE DEHYDROGENASE CYCLOHYDROLASE, N-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bueno, R.V, Dawson, A, Hunter, W.N.
登録日2018-08-08
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献An assessment of three human methylenetetrahydrofolate dehydrogenase/cyclohydrolase-ligand complexes following further refinement.
Acta Crystallogr F Struct Biol Commun, 75, 2019
6CHL
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BU of 6chl by Molmil
Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile
分子名称: (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ...
著者Mamo, M, Appleton, B.A.
登録日2018-02-22
公開日2018-04-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
8SFY
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Crystal structure of TuUGT202A2 (Tetur22g00270) in complex with UDP-glucose
分子名称: UDP-glycosyltransferase 202A2, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Arriaza, R.H, Daneshian, L, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M.
登録日2023-04-11
公開日2023-09-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of TuUGT202A2 (Tetur22g00270) in complex with UDP-glucose
To Be Published
8SFU
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Crystal structure of TuUGT202A2 (Tetur22g00270) in complex with naringin
分子名称: (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, UDP-glycosyltransferase 202A2, URIDINE-5'-DIPHOSPHATE
著者Arriaza, R.H, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M.
登録日2023-04-11
公開日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of TuUGT202A2 (Tetur22g00270) in complex with naringin
To Be Published
6CHM
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Phosphopantetheine adenylyltransferase (CoaD) in complex with N-(2-(5-methoxy-1H-indol-3-yl)ethyl)pivalamide
分子名称: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,2-dimethylpropanamide, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Mamo, M, Appleton, B.A.
登録日2018-02-22
公開日2018-04-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
7EHN
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Human MTHFD2 in complex with compound 21 and 9
分子名称: (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid, 3-[4-[[1-[(4-chloranyl-1H-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ...
著者Lee, L.C, Peng, Y.H, Wu, S.Y.
登録日2021-03-30
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2).
J.Med.Chem., 64, 2021
7EHM
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Human MTHFD2 in complex with compound 21 and 15
分子名称: (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid, (2S)-2-[[4-[[1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ...
著者Lee, L.C, Peng, Y.H, Wu, S.Y.
登録日2021-03-30
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2).
J.Med.Chem., 64, 2021

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