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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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: | 2011-07-13 | 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
|
|
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
|
|
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
|
|
8UPN
| |
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|