4E32
 
 | | X-ray Structure of the C-3'-Methyltransferase TcaB9 in Complex with S-Adenosyl-L-Homocysteine and dTDP-Sugar Substrate | | Descriptor: | (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, ... | | Authors: | Bruender, N.A, Holden, H.M. | | Deposit date: | 2012-03-09 | | Release date: | 2012-04-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Probing the catalytic mechanism of a C-3'-methyltransferase involved in the biosynthesis of D-tetronitrose.
Protein Sci., 21, 2012
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4E31
 | | X-ray Structure of the Y76F mutant of TcaB9, a C-3'-Methyltransferase, in Complex with S-Adenosyl-L-Homocysteine and Sugar Product | | Descriptor: | (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, ... | | Authors: | Bruender, N.A, Holden, H.M. | | Deposit date: | 2012-03-09 | | Release date: | 2012-04-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Probing the catalytic mechanism of a C-3'-methyltransferase involved in the biosynthesis of D-tetronitrose.
Protein Sci., 21, 2012
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4NTM
 | | QueD soaked with sepiapterin (selenomethionine substituted protein) | | Descriptor: | (6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid, 6-carboxy-5,6,7,8-tetrahydropterin synthase, ZINC ION | | Authors: | Bandarian, V, Miles, Z.D, Roberts, S.A. | | Deposit date: | 2013-12-02 | | Release date: | 2014-07-16 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Biochemical and Structural Studies of 6-Carboxy-5,6,7,8-tetrahydropterin Synthase Reveal the Molecular Basis of Catalytic Promiscuity within the Tunnel-fold Superfamily.
J.Biol.Chem., 289, 2014
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8T8T
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6ECQ
 | | The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with NADP and inhibitor LY345899 | | Descriptor: | 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 | | Authors: | Bueno, R.V, Dawson, A, Hunter, W.N. | | Deposit date: | 2018-08-08 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | An assessment of three human methylenetetrahydrofolate dehydrogenase/cyclohydrolase-ligand complexes following further refinement.
Acta Crystallogr F Struct Biol Commun, 75, 2019
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8GKN
 | | Crystal structure of TuUGT202A2 (Tetur22g00270) in complex with S-naringenin | | Descriptor: | NARINGENIN, UDP-glycosyltransferase 202A2, URIDINE-5'-DIPHOSPHATE | | Authors: | Arriaza, R.H, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M. | | Deposit date: | 2023-03-20 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of TuUGT202A2 (Tetur22g00270) in complex with S-naringenin
To Be Published
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8GKF
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6G4M
 | | Torpedo californica acetylcholinesterase bound to uncharged hybrid reactivator 1 | | Descriptor: | 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | Authors: | Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F. | | Deposit date: | 2018-03-28 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
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3PXU
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6G4N
 | | Torpedo californica acetylcholinesterase bound to uncharged hybrid reactivator 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol, Acetylcholinesterase, ... | | Authors: | Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F. | | Deposit date: | 2018-03-28 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
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6CHL
 | | 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 | | Descriptor: | (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, ... | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2018-02-22 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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5E3P
 | | Crystal structure of DapD from Corynebacterium glutamicum | | Descriptor: | 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase, SULFATE ION, TETRAETHYLENE GLYCOL | | Authors: | Sagong, H.-Y, Kim, K.-J. | | Deposit date: | 2015-10-03 | | Release date: | 2015-11-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal Structure and Biochemical Characterization of Tetrahydrodipicolinate N-Succinyltransferase from Corynebacterium glutamicum.
J.Agric.Food Chem., 63, 2015
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5UK3
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5KMZ
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4FIO
 | | Crystal Structure of Methenyltetrahydromethanopterin Cyclohydrolase from Methanobrevibacter ruminantium | | Descriptor: | ETHYL ACETATE, ISOPROPYL ALCOHOL, Methenyltetrahydromethanopterin cyclohydrolase | | Authors: | Carbone, V, Schofield, L.R, Beattie, A.K, Sutherland-Smith, A.J, Ronimus, R.S. | | Deposit date: | 2012-06-10 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | The crystal structure of methenyltetrahydromethanopterin cyclohydrolase from Methanobrevibacter ruminantium.
Proteins, 81, 2013
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4E1A
 | | Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis at 1.62A resolution | | Descriptor: | GLYCEROL, Phosphopantetheine adenylyltransferase | | Authors: | Timofeev, V.I, Smirnova, E.A, Chupova, L.A, Esipov, R.S, Kuranova, I.P. | | Deposit date: | 2012-03-06 | | Release date: | 2012-11-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | X-ray study of the conformational changes in the molecule of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis during the catalyzed reaction.
Acta Crystallogr.,Sect.D, 68, 2012
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2KV6
 | | Tetrapeptide KWKK conjugated to oligonucleotide duplex by a trimethylene tether | | Descriptor: | 5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3', 5'-D(*GP*GP*AP*CP*TP*CP*GP*CP*TP*AP*GP*C)-3', KWKK Tetrapeptide | | Authors: | Huang, H, Kozekov, I.D, Kozekova, A, Rizzo, C.J, McCullough, A, LLoyd, R.S, Stone, M.P. | | Deposit date: | 2010-03-08 | | Release date: | 2010-07-21 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Minor Groove Orientation of the KWKK Peptide Tethered via the N-Terminal Amine to the Acrolein-Derived 1,N(2)-gamma-Hydroxypropanodeoxyguanosine Lesion with a Trimethylene Linkage .
Biochemistry, 49, 2010
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4OQ3
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3BXY
 | | Crystal structure of tetrahydrodipicolinate N-succinyltransferase from E. coli | | Descriptor: | 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase | | Authors: | Kozlov, G, Gehring, K, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2008-01-15 | | Release date: | 2008-01-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Escherichia coli tetrahydrodipicolinate N-succinyltransferase reveals the role of a conserved C-terminal helix in cooperative substrate binding.
Febs Lett., 582, 2008
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5UL0
 | | S. CEREVISIAE CYP51 COMPLEXED WITH VT-1161 | | Descriptor: | (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ... | | Authors: | Tyndall, J.D, Keniya, M.V, Sabherwal, M, Monk, B.C. | | Deposit date: | 2017-01-23 | | Release date: | 2017-02-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Azole Resistance Reduces Susceptibility to the Tetrazole Antifungal VT-1161.
Antimicrob.Agents Chemother., 63, 2019
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3X1J
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3X1M
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3X1K
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3APT
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3APY
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