6VJ7
 
 | | Crystal structure of red kidney bean purple acid phosphatase in complex with adenosine 5'-(beta,gamma imido)triphosphate | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Feder, D, Schenk, G, Guddat, L.W, McGeary, R.P, Mitic, N, Furtado, A, Schulz, B.L, Henry, R.J, Schmidt, S. | | Deposit date: | 2020-01-15 | | Release date: | 2020-04-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural elements that modulate the substrate specificity of plant purple acid phosphatases: Avenues for improved phosphorus acquisition in crops.
Plant Sci., 294, 2020
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6VO2
 | | Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex with Mg, NADPH and inhibitor. | | Descriptor: | 3-(methylsulfonyl)-2-oxopropanoic acid, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, ... | | Authors: | Bayaraa, T, Patel, K.M, Guddat, L.W. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Discovery, Synthesis and Evaluation of a Ketol-Acid Reductoisomerase Inhibitor.
Chemistry, 26, 2020
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9C4R
 | | Crystal structure of wild-type arabidopsis thaliana acetohydroxyacid synthase in complex with newly designed herbicide CMO | | Descriptor: | 2-(2-chloroethoxy)-N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]benzene-1-sulfonamide, 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | Authors: | Cheng, Y, Guddat, L.W. | | Deposit date: | 2024-06-05 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Crystal Structures of Arabidopsis thaliana Acetohydroxyacid Synthase in Complex with the Herbicide Triasulfuron and Two Analogues with Herbicidal Activity in Field Trials.
J.Agric.Food Chem., 2024
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9C4Q
 | | Crystal structure of wild-type arabidopsis thaliana acetohydroxyacid synthase in complex with newly designed herbicide FMO | | Descriptor: | 2-(2-fluoroethoxy)-N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]benzene-1-sulfonamide, 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | Authors: | Cheng, Y, Guddat, L.W. | | Deposit date: | 2024-06-05 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Crystal Structures of Arabidopsis thaliana Acetohydroxyacid Synthase in Complex with the Herbicide Triasulfuron and Two Analogues with Herbicidal Activity in Field Trials.
J.Agric.Food Chem., 2024
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9C4P
 | | Crystal structure of wild-type arabidopsis thaliana acetohydroxyacid synthase in complex with commercial herbicide triasulfuron | | Descriptor: | 2-(2-chloroethoxy)-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzene-1-sulfonamide, 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | Authors: | Cheng, Y, Guddat, L.W. | | Deposit date: | 2024-06-05 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of Arabidopsis thaliana Acetohydroxyacid Synthase in Complex with the Herbicide Triasulfuron and Two Analogues with Herbicidal Activity in Field Trials.
J.Agric.Food Chem., 2024
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3OOD
 | | Structure of OpdA Y257F mutant soaked with diethyl 4-methoxyphenyl phosphate for 20 hours. | | Descriptor: | COBALT (II) ION, DIETHYL 4-METHOXYPHENYL PHOSPHATE, Phosphotriesterase | | Authors: | Ely, F, Guddat, L.W, Ollis, D.L, Schenk, G. | | Deposit date: | 2010-08-31 | | Release date: | 2011-11-02 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | The organophosphate-degrading enzyme from Agrobacterium radiobacter displays mechanistic flexibility for catalysis.
Biochem.J., 432, 2010
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3OQE
 | | Structure of OpdA mutant Y257F | | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, Phosphotriesterase | | Authors: | Ely, F, Guddat, L.W, Ollis, D.L, Schenk, G. | | Deposit date: | 2010-09-02 | | Release date: | 2011-11-02 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The organophosphate-degrading enzyme from Agrobacterium radiobacter displays mechanistic flexibility for catalysis.
Biochem.J., 432, 2010
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3ULK
 | | E. coli Ketol-acid reductoisomerase in complex with NADPH and Mg2+ | | Descriptor: | Ketol-acid reductoisomerase, MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Wong, S.H, Lonhienne, T.G.A, Winzor, D.J, Schenk, G, Guddat, L.W. | | Deposit date: | 2011-11-11 | | Release date: | 2012-10-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Bacterial and plant ketol-acid reductoisomerases have different mechanisms of induced fit during the catalytic cycle
J.Mol.Biol., 424, 2012
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6HWR
 | | Red kidney bean purple acid phosphatase in complex with adenosine divanadate | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Feder, D, Gahan, L.R, McGeary, R.P, Guddat, L.W, Schenk, G. | | Deposit date: | 2018-10-13 | | Release date: | 2019-04-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Binding Mode of an ADP Analogue to a Metallohydrolase Mimics the Likely Transition State.
Chembiochem, 20, 2019
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3SO7
 | | Organophoshatedegrading enzyme (OpdA)-phosphate complex | | Descriptor: | COBALT (II) ION, PHOSPHATE ION, Phosphotriesterase, ... | | Authors: | Ely, F, Pedroso, M, Gahan, L.R, Ollis, D.L, Guddat, L.W, Schenk, G. | | Deposit date: | 2011-06-30 | | Release date: | 2011-12-07 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Phosphate-bound structure of an organophosphate-degrading enzyme from Agrobacterium radiobacter.
J.Inorg.Biochem., 106, 2011
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8UPN
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8UPQ
 | | Campylobacter jejuni ketol-acid reductoisomerase in complex with 2,3-dihydroxy-3-isovalerate. | | Descriptor: | (2R)-2,3-dihydroxy-3-methylbutanoic acid, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION | | Authors: | Lin, X, Lonhienne, T, Guddat, L.W. | | Deposit date: | 2023-10-23 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
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1JSC
 | | Crystal Structure of the Catalytic Subunit of Yeast Acetohydroxyacid Synthase: A target for Herbicidal Inhibitors | | Descriptor: | ACETOHYDROXY-ACID SYNTHASE, DIHYDROGENPHOSPHATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Pang, S.S, Duggleby, R.G, Guddat, L.W. | | Deposit date: | 2001-08-17 | | Release date: | 2002-01-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of yeast acetohydroxyacid synthase: a target for herbicidal inhibitors.
J.Mol.Biol., 317, 2002
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8UPP
 | | Campylobacter jejuni ketol-acid reductoisomerase in complex with NADPH and Hoe704 | | Descriptor: | (2R)-(dimethylphosphoryl)(hydroxy)acetic acid, Ketol-acid reductoisomerase, MAGNESIUM ION, ... | | Authors: | Lin, X, Lv, Y, Lonhienne, T, Guddat, L.W. | | Deposit date: | 2023-10-23 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
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1IGM
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1A2M
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1A2L
 | | REDUCED DSBA AT 2.7 ANGSTROMS RESOLUTION | | Descriptor: | DISULFIDE BOND FORMATION PROTEIN | | Authors: | Martin, J.L, Guddat, L.W. | | Deposit date: | 1998-01-06 | | Release date: | 1998-07-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of reduced and oxidized DsbA: investigation of domain motion and thiolate stabilization.
Structure, 6, 1998
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1A2J
 | | OXIDIZED DSBA CRYSTAL FORM II | | Descriptor: | DISULFIDE BOND FORMATION PROTEIN | | Authors: | Martin, J.L, Guddat, L.W. | | Deposit date: | 1998-01-06 | | Release date: | 1998-09-16 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of reduced and oxidized DsbA: investigation of domain motion and thiolate stabilization.
Structure, 6, 1998
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7EGQ
 | | Co-transcriptional capping machineries in SARS-CoV-2 RTC: Coupling of N7-methyltransferase and 3'-5' exoribonuclease with polymerase reveals mechanisms for capping and proofreading | | Descriptor: | Helicase, MAGNESIUM ION, Non-structural protein 10, ... | | Authors: | Yan, L.M, Yang, Y.X, Li, M.Y, Zhang, Y, Zheng, L.T, Ge, J, Huang, Y.C, Liu, Z.Y, Wang, T, Gao, S, Zhang, R, Huang, Y.Y, Guddat, L.W, Gao, Y, Rao, Z.H, Lou, Z.Y. | | Deposit date: | 2021-03-25 | | Release date: | 2021-07-21 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading.
Cell, 184, 2021
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4JIT
 | | Crystal Structure of E. coli XGPRT in complex with (S)-3-(Guanin-9-yl)pyrrolidin-N-ylacetylphosphonic acid | | Descriptor: | Xanthine phosphoribosyltransferase, {2-[(3S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)pyrrolidin-1-yl]-2-oxoethyl}phosphonic acid | | Authors: | Keough, D.T, Hockova, D, Rejman, D, Spacek, P, Vrbkova, S, Krecmerova, M, Eng, W.S, Jans, H, West, N.P, Naesens, L.M.J, de Jersey, J, Guddat, L.W. | | Deposit date: | 2013-03-07 | | Release date: | 2014-12-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Inhibition of the Escherichia coli 6-oxopurine phosphoribosyltransferases by nucleoside phosphonates: potential for new antibacterial agents.
J.Med.Chem., 56, 2013
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4JLS
 | | Crystal Structure of E. coli XGPRT in complex with (3R,4S)-4-(Guanin-9-yl)-3-hydroxypyrrolidin-1-N-ylacetylphosphonic acid | | Descriptor: | Xanthine phosphoribosyltransferase, {2-[(3S,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl}phosphonic acid | | Authors: | Keough, D.T, Hockova, D, Rejman, D, Spacek, P, Vrbkova, S, Krecmerova, M, Eng, W.S, Jans, H, West, N.P, Naesens, L.M.J, de Jersey, J, Guddat, L.W. | | Deposit date: | 2013-03-12 | | Release date: | 2014-12-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inhibition of the Escherichia coli 6-oxopurine phosphoribosyltransferases by nucleoside phosphonates: potential for new antibacterial agents.
J.Med.Chem., 56, 2013
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7EIZ
 | | Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading | | Descriptor: | Helicase, MAGNESIUM ION, Non-structural protein 10, ... | | Authors: | Yan, L, Yang, Y.X, Li, M.Y, Zhang, Y, Zheng, L.T, Ge, J, Huang, Y.C, Liu, Z.Y, Wang, T, Gao, S, Zhang, R, Huang, Y.Y, Guddat, L.W, Gao, Y, Rao, Z.H, Lou, Z.Y. | | Deposit date: | 2021-04-01 | | Release date: | 2021-09-22 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY | | Cite: | Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading
Cell, 184, 2021
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1T9A
 | | Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, tribenuron methyl | | Descriptor: | 2-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}PROPANE-1-THIOL, 5-{[ETHYL(METHYL)AMINO]METHYL}-2-METHYL-5,6-DIHYDROPYRIMIDIN-4-AMINE, Acetolactate synthase, ... | | Authors: | McCourt, J.A, Pang, S.S, Guddat, L.W, Duggleby, R.G. | | Deposit date: | 2004-05-16 | | Release date: | 2004-12-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase.
Biochemistry, 44, 2005
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1T9D
 | | Crystal Structure Of Yeast Acetohydroxyacid Synthase In Complex With A Sulfonylurea Herbicide, Metsulfuron methyl | | Descriptor: | 2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE, Acetolactate synthase, mitochondrial, ... | | Authors: | McCourt, J.A, Pang, S.S, Guddat, L.W, Duggleby, R.G. | | Deposit date: | 2004-05-16 | | Release date: | 2004-12-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase.
Biochemistry, 44, 2005
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1T9B
 | | Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, chlorsulfuron | | Descriptor: | 1-(2-CHLOROPHENYLSULFONYL)-3-(4-METHOXY-6-METHYL-L,3,5-TRIAZIN-2-YL)UREA, 2-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}PROPANE-1-THIOL, 5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-4-AMINE, ... | | Authors: | McCourt, J.A, Pang, S.S, Guddat, L.W, Duggleby, R.G. | | Deposit date: | 2004-05-16 | | Release date: | 2004-12-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase.
Biochemistry, 44, 2005
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