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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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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4YPO
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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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5BRN
 | | Human HGPRT in complex with (S)-HPEPHx, an acyclic nucleoside phosphonate | | Descriptor: | (2-{[(2S)-1-hydroxy-3-(6-oxo-1,6-dihydro-9H-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | | Authors: | Keough, D.T, Guddat, L.W, Kaiser, M.M, Hockova, D, Wang, T.-H, Janeba, Z. | | Deposit date: | 2015-05-31 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Synthesis and Evaluation of Novel Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium falciparum and Human 6-Oxopurine Phosphoribosyltransferases.
Chemmedchem, 10, 2015
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5BSK
 | | Human HGPRT in complex with (S)-HPEPG, an acyclic nucleoside phosphonate | | Descriptor: | (2-{[(2S)-1-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxypropan-2-yl]oxy}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | | Authors: | Keough, D.T, Guddat, L.W, Kaiser, M.M, Hockova, D, Wang, T.-H, Janeba, Z. | | Deposit date: | 2015-06-02 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Synthesis and Evaluation of Novel Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium falciparum and Human 6-Oxopurine Phosphoribosyltransferases.
Chemmedchem, 10, 2015
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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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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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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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4RAN
 | | Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | | Descriptor: | (2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](3-aminopropyl)amino}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | | Authors: | Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | | Deposit date: | 2014-09-10 | | Release date: | 2015-01-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.549 Å) | | Cite: | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents.
J.Med.Chem., 58, 2015
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4RHT
 | | Crystal structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease | | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, Hypoxanthine-guanine phosphoribosyltransferase Hpt, MAGNESIUM ION, ... | | Authors: | Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W. | | Deposit date: | 2014-10-03 | | Release date: | 2015-05-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7633 Å) | | Cite: | First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity.
J.Med.Chem., 58, 2015
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4RHY
 | | Crystal structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [2-({2-[bis(2-phosphonoethyl)amino]ethyl}[2-(6-oxo-3,6-dihydro-9H-purin-9-yl)ethyl]amino)ethyl]phosphonic acid | | Authors: | Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W. | | Deposit date: | 2014-10-03 | | Release date: | 2015-05-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3196 Å) | | Cite: | First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity.
J.Med.Chem., 58, 2015
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4RHX
 | | Structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [2-([2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl]{2-[(2-oxoethyl)(2-phosphonoethyl)amino]ethyl}amino)ethyl]phosphonic acid | | Authors: | Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W. | | Deposit date: | 2014-10-03 | | Release date: | 2015-05-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.0322 Å) | | Cite: | First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity.
J.Med.Chem., 58, 2015
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4RHU
 | | Crystal structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase Hpt, MAGNESIUM ION, {[(2R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid), ... | | Authors: | Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W. | | Deposit date: | 2014-10-03 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.573 Å) | | Cite: | First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity.
J.Med.Chem., 58, 2015
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1IGM
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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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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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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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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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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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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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