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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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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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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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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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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6OF5
 | | The crystal structure of dodecyloxy(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, FE (III) ION, ... | | Authors: | Feder, D, Schenk, G, Guddat, L.W, Hussein, W.M, McGeary, R.P. | | Deposit date: | 2019-03-28 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 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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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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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: | 2023-10-11 | | 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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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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1OZH
 | | The crystal structure of Klebsiella pneumoniae acetolactate synthase with enzyme-bound cofactor and with an unusual intermediate. | | Descriptor: | 2-HYDROXYETHYL DIHYDROTHIACHROME DIPHOSPHATE, Acetolactate synthase, catabolic, ... | | Authors: | Pang, S.S, Duggleby, R.G, Schowen, R.L, Guddat, L.W. | | Deposit date: | 2003-04-09 | | Release date: | 2003-11-04 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Crystal Structures of Klebsiella pneumoniae Acetolactate Synthase with Enzyme-bound Cofactor and with an Unusual Intermediate.
J.Biol.Chem., 279, 2004
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1PEN
 | | ALPHA-CONOTOXIN PNI1 | | Descriptor: | ALPHA-CONOTOXIN PNIA | | Authors: | Hu, S.-H, Gehrmann, J, Guddat, L.W, Alewood, P.F, Craik, D.J, Martin, J.L. | | Deposit date: | 1996-01-29 | | Release date: | 1997-04-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The 1.1 A crystal structure of the neuronal acetylcholine receptor antagonist, alpha-conotoxin PnIA from Conus pennaceus.
Structure, 4, 1996
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1OZG
 | | The crystal structure of Klebsiella pneumoniae acetolactate synthase with enzyme-bound cofactor and with an unusual intermediate | | Descriptor: | 2-HYDROXYETHYL DIHYDROTHIACHROME DIPHOSPHATE, Acetolactate synthase, catabolic, ... | | Authors: | Pang, S.S, Duggleby, R.G, Schowen, R.L, Guddat, L.W. | | Deposit date: | 2003-04-09 | | Release date: | 2003-11-04 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Crystal Structures of Klebsiella pneumoniae Acetolactate Synthase with Enzyme-bound Cofactor and with an Unusual Intermediate.
J.Biol.Chem., 279, 2004
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1KNG
 | | Crystal structure of CcmG reducing oxidoreductase at 1.14 A | | Descriptor: | THIOL:DISULFIDE INTERCHANGE PROTEIN CYCY | | Authors: | Edeling, M.A, Guddat, L.W, Fabianek, R.A, Thony-Meyer, L, Martin, J.L. | | Deposit date: | 2001-12-18 | | Release date: | 2002-07-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Structure of CcmG/DsbE at 1.14 A resolution: high-fidelity reducing activity in an indiscriminately oxidizing environment
Structure, 10, 2002
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1OZF
 | | The crystal structure of Klebsiella pneumoniae acetolactate synthase with enzyme-bound cofactors | | Descriptor: | Acetolactate synthase, catabolic, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pang, S.S, Duggleby, R.G, Schowen, R.L, Guddat, L.W. | | Deposit date: | 2003-04-09 | | Release date: | 2003-11-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Crystal Structures of Klebsiella pneumoniae Acetolactate Synthase with Enzyme-bound Cofactor and with an Unusual Intermediate.
J.Biol.Chem., 279, 2004
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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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1T9C
 | | Crystal Structure Of Yeast Acetohydroxyacid Synthase In Complex With A Sulfonylurea Herbicide, Sulfometuron methyl | | Descriptor: | Acetolactate synthase, mitochondrial, ETHYL DIHYDROGEN DIPHOSPHATE, ... | | 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 (2.34 Å) | | Cite: | Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase.
Biochemistry, 44, 2005
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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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1IGM
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5WJ1
 | | Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a triazolopyrimidine herbicide, penoxsulam | | Descriptor: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide, Acetolactate synthase, ... | | Authors: | Garcia, M.D, Lonhienne, T, Guddat, L.W. | | Deposit date: | 2017-07-21 | | Release date: | 2018-02-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.522 Å) | | Cite: | Structural insights into the mechanism of inhibition of AHAS by herbicides.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5W3K
 | | Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex NADPH, Mg2+ and CPD | | Descriptor: | Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Patel, K.M, Teran, D, Zheng, S, Kandale, A, Schembri, M, McGeary, R.P, Schenk, G, Guddat, L.W. | | Deposit date: | 2017-06-08 | | Release date: | 2017-10-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.589 Å) | | Cite: | Crystal Structures of Staphylococcus aureus Ketol-Acid Reductoisomerase in Complex with Two Transition State Analogues that Have Biocidal Activity.
Chemistry, 23, 2017
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8SXD
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8SWM
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