3GGC
 
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8TPV
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6BD9
 | | Saccharomyces cerevisiae acetohydroxyacid synthase | | Descriptor: | Acetolactate synthase catalytic subunit, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Guddat, L.W, Lonhienne, T. | | Deposit date: | 2017-10-22 | | Release date: | 2017-11-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.982 Å) | | Cite: | High resolution crystal structures of the acetohydroxyacid synthase-pyruvate complex provide new insights into its catalytic mechanism
Chemistryselect, 2017
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6BD3
 | | Saccharomyces cerevisiae acetohydroxyacid synthase | | Descriptor: | 2-ACETYL-THIAMINE DIPHOSPHATE, ACETATE ION, Acetolactate synthase catalytic subunit, ... | | Authors: | Guddat, L.W, Lonhienne, T. | | Deposit date: | 2017-10-21 | | Release date: | 2017-11-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | High resolution crystal structures of the acetohydroxyacid synthase-pyruvate complex provide new insights into its catalytic mechanism
Chemistryselect, 2017
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6BO7
 | | Crystal structure of Plasmodium vivax hypoxanthine guanine phosphoribosyltransferase in complex with [3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine | | Descriptor: | Hypoxanthine phosphoribosyltransferase, MAGNESIUM ION, [3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid | | Authors: | Guddat, L.W, Keough, D.T, Rejman, D. | | Deposit date: | 2017-11-18 | | Release date: | 2017-12-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.856 Å) | | Cite: | Design of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics.
ACS Chem. Biol., 13, 2018
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3BYB
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4YPO
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7OV3
 | | Crystal structure of pig purple acid phosphatase in complex with Maybridge fragment CC063346, dimethyl sulfoxide and citrate | | 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, McGeary, R.P, Guddat, L.W, Schenk, G. | | Deposit date: | 2021-06-14 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Chemmedchem, 16, 2021
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7OV2
 | | Crystal structure of pig purple acid phosphatase in complex with L-glutamine, (poly)ethylene glycol fragments and glycerol | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, FE (III) ION, ... | | Authors: | Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G. | | Deposit date: | 2021-06-14 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Chemmedchem, 16, 2021
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7OV8
 | | Crystal structure of pig purple acid phosphatase in complex with 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES) and glycerol | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G. | | Deposit date: | 2021-06-14 | | Release date: | 2022-03-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Chemmedchem, 16, 2021
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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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8BRN
 | | Crystal structure of red kidney bean purple acid phosphatase in complex with an alpha-aminonaphthylmethylphosphonic acid inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Feder, D, Hussein, W.M, Guddat, L.W, Schenk, G. | | Deposit date: | 2022-11-23 | | Release date: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Optimization of an alpha-aminonaphthylmethylphosphonic acid inhibitor of purple acid phosphatase using rational structure-based design approaches.
Eur.J.Med.Chem., 254, 2023
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7KE2
 | | Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex with Mg2+ and NSC116565 | | Descriptor: | 6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION | | Authors: | Kurz, J.L, Patel, K.P, Guddat, L.W. | | Deposit date: | 2020-10-09 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Discovery of a Pyrimidinedione Derivative with Potent Inhibitory Activity against Mycobacterium tuberculosis Ketol-Acid Reductoisomerase.
Chemistry, 27, 2021
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7KH7
 | | Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex with Mg2+, NADPH, and NSC116565 | | Descriptor: | 6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, ... | | Authors: | Kurz, J.L, Patel, K.P, Guddat, L.W. | | Deposit date: | 2020-10-20 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Discovery of a Pyrimidinedione Derivative with Potent Inhibitory Activity against Mycobacterium tuberculosis Ketol-Acid Reductoisomerase.
Chemistry, 27, 2021
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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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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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8CY8
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8EJ0
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8EPZ
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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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4DT2
 | | Crystal structure of red kidney bean purple acid phosphatase in complex with Maybridge fragment CC27209 | | Descriptor: | (2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Feder, D, Hussein, W.M, Clayton, D.J, Kan, M, Schenk, G, McGeary, R.P, Guddat, L.W. | | Deposit date: | 2012-02-20 | | Release date: | 2012-09-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics.
Chem.Biol.Drug Des., 80, 2012
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4DSY
 | | Crystal structure of red kidney bean purple acid phosphatase in complex with Maybridge fragment CC24201 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-phenylpyridine-3-carboxylic acid, ... | | Authors: | Feder, D, Hussein, W.M, Clayton, D.J, Kan, M, Schenk, G, McGeary, R.P, Guddat, L.W. | | Deposit date: | 2012-02-20 | | Release date: | 2012-09-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics.
Chem.Biol.Drug Des., 80, 2012
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4DHL
 | | Crystal structure of red kidney bean purple acid phosphatase in complex with Maybridge fragment MO07123 | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Feder, D, Clayton, D.J, Hussein, W.M, Schenk, G, McGeary, R, Guddat, L.W. | | Deposit date: | 2012-01-29 | | Release date: | 2012-12-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics.
Chem.Biol.Drug Des., 80, 2012
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6PY9
 | | Crystal structure of red kidney bean purple acid phosphatase in complex with adenosine diphosphate metavanadate | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADP METAVANADATE, ... | | 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: | 2019-07-29 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 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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6OFD
 | | The crystal structure of octadecyloxy(naphthalen-1-yl)methylphosphonic acid in complex with red kidney bean purple acid phosphatase | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Feder, D, Schenk, G, Guddat, L.W, Hussein, W.M, McGeary, R.P, Kan, M.W. | | Deposit date: | 2019-03-29 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis.
Eur.J.Med.Chem., 182, 2019
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