4GDY
 
 | | Kynurenine Aminotransferase II inhibitors | | Descriptor: | (5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | | Authors: | Pandit, J. | | Deposit date: | 2012-08-01 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Discovery of Hydroxamate Bioisosteres as KATII Inhibitors with Improved Oral Bioavailability and Pharmacokinetics
MEDCHEMCOMM, 2012
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4GE9
 | | Kynurenine Aminotransferase II Inhibitors | | Descriptor: | (4-{[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | | Authors: | Pandit, J. | | Deposit date: | 2012-08-01 | | Release date: | 2012-11-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions.
ACS Med Chem Lett, 4, 2013
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4F4E
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4F5K
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5TOQ
 | | High resolution crystal structure of AAT | | Descriptor: | Aspartate aminotransferase, cytoplasmic | | Authors: | Mueser, T.C, Dajnowicz, S, Kovalevsky, A. | | Deposit date: | 2016-10-18 | | Release date: | 2017-03-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Direct evidence that an extended hydrogen-bonding network influences activation of pyridoxal 5'-phosphate in aspartate aminotransferase.
J. Biol. Chem., 292, 2017
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5TXR
 | | Structure of ALAS from S. cerevisiae non-covalently bound to PLP cofactor | | Descriptor: | 5-aminolevulinate synthase, mitochondrial, FORMIC ACID, ... | | Authors: | Brown, B.L, Grant, R.A, Kardon, J.R, Sauer, R.T, Baker, T.A. | | Deposit date: | 2016-11-17 | | Release date: | 2018-03-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the Mitochondrial Aminolevulinic Acid Synthase, a Key Heme Biosynthetic Enzyme.
Structure, 26, 2018
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5TXT
 | | Structure of asymmetric apo/holo ALAS dimer from S. cerevisiae | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, 5-aminolevulinate synthase, mitochondrial, ... | | Authors: | Brown, B.L, Grant, R.A, Kardon, J.R, Sauer, R.T, Baker, T.A. | | Deposit date: | 2016-11-17 | | Release date: | 2018-03-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the Mitochondrial Aminolevulinic Acid Synthase, a Key Heme Biosynthetic Enzyme.
Structure, 26, 2018
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5TON
 | | Crystal structure of AAT H143L mutant | | Descriptor: | Aspartate aminotransferase, cytoplasmic | | Authors: | Mueser, T.C, Dajnowicz, S, Kovalevsky, A. | | Deposit date: | 2016-10-18 | | Release date: | 2017-03-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Direct evidence that an extended hydrogen-bonding network influences activation of pyridoxal 5'-phosphate in aspartate aminotransferase.
J. Biol. Chem., 292, 2017
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5TOR
 | | Crystal structure of AAT D222T mutant | | Descriptor: | Aspartate aminotransferase, cytoplasmic | | Authors: | Mueser, T.C, Dajnowicz, S, Kovalevsky, A. | | Deposit date: | 2016-10-18 | | Release date: | 2017-03-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Direct evidence that an extended hydrogen-bonding network influences activation of pyridoxal 5'-phosphate in aspartate aminotransferase.
J. Biol. Chem., 292, 2017
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5TOT
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5T4K
 | | PLP and GABA Trigger GabR-Mediated Transcription Regulation in Bacillus subsidies via External Aldimine Formation | | Descriptor: | (4S)-5-fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid, HTH-type transcriptional regulatory protein GabR | | Authors: | Wu, R, Sanishvili, R, Belitsky, B.R, Juncosa, J.I, Le, H.V, Lehrer, H.J.S, Farley, M, Silverman, R.B, Petsko, G.A, Ringe, D, Liu, D. | | Deposit date: | 2016-08-29 | | Release date: | 2017-03-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.245 Å) | | Cite: | PLP and GABA trigger GabR-mediated transcription regulation in Bacillus subtilis via external aldimine formation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5TF5
 | | CRYSTAL STRUCTURE OF HUMAN KAT-2 IN COMPLEX WITH A REVERSIBLE INHIBITOR | | Descriptor: | (2R)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | | Authors: | Nematollahi, A, Sun, G, Church, W.B. | | Deposit date: | 2016-09-24 | | Release date: | 2016-10-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.807 Å) | | Cite: | Crystal structure and mechanistic analysis of a novel human kynurenine aminotransferase-2 reversible inhibitor
Med.Chem.Res., 2017
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5VEQ
 | | MOUSE KYNURENINE AMINOTRANSFERASE III, RE-REFINEMENT OF THE PDB STRUCTURE 3E2Y | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | | Deposit date: | 2017-04-05 | | Release date: | 2017-11-29 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
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5VEH
 | | Re-refinement OF THE PDB STRUCTURE 1yiz of Aedes aegypti kynurenine aminotransferase | | Descriptor: | BROMIDE ION, GLYCEROL, Kynurenine aminotransferase | | Authors: | Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | | Deposit date: | 2017-04-04 | | Release date: | 2017-11-29 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
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5VK7
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5VER
 | | MOUSE KYNURENINE AMINOTRANSFERASE III, RE-REFINEMENT OF THE PDB STRUCTURE 3E2Z | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | | Deposit date: | 2017-04-05 | | Release date: | 2017-11-29 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
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5VJZ
 | | Joint X-ray/neutron structure of aspartate aminotransferase with alpha-methyl-aspartate at pH 7.5 | | Descriptor: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, Aspartate aminotransferase, cytoplasmic | | Authors: | Dajnowicz, S, Kovalevsky, A.Y, Mueser, T.C. | | Deposit date: | 2017-04-20 | | Release date: | 2017-11-01 | | Last modified: | 2022-03-16 | | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | Cite: | Direct visualization of critical hydrogen atoms in a pyridoxal 5'-phosphate enzyme.
Nat Commun, 8, 2017
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5VWR
 | | E.coli Aspartate aminotransferase-(1R,3S,4S)-3-amino-4-fluorocyclopentane-1-carboxylic acid (FCP)-alpha-ketoglutarate | | Descriptor: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-glutamic acid, Aspartate aminotransferase, GLYCEROL | | Authors: | Mascarenhas, R, Liu, D, Le, H, Silverman, R. | | Deposit date: | 2017-05-22 | | Release date: | 2017-09-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Selective Targeting by a Mechanism-Based Inactivator against Pyridoxal 5'-Phosphate-Dependent Enzymes: Mechanisms of Inactivation and Alternative Turnover.
Biochemistry, 56, 2017
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5VEP
 | | MOUSE KYNURENINE AMINOTRANSFERASE III, RE-REFINEMENT OF THE PDB STRUCTURE 3E2F | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | | Deposit date: | 2017-04-05 | | Release date: | 2017-11-29 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
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5T4J
 | | PLP and GABA Trigger GabR-Mediated Transcription Regulation in Bacillus subsidies via External Aldimine Formation | | Descriptor: | GAMMA-AMINO-BUTANOIC ACID, HTH-type transcriptional regulatory protein GabR, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Wu, R, Sanishvili, R, Belitsky, B.R, Juncosa, J.I, Le, H.V, Lehrer, H.J.S, Farley, M, Silverman, R.B, Petsko, G.A, Ringe, D, Liu, D. | | Deposit date: | 2016-08-29 | | Release date: | 2017-03-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.231 Å) | | Cite: | PLP and GABA trigger GabR-mediated transcription regulation in Bacillus subtilis via external aldimine formation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5T4L
 | | PLP and GABA Trigger GabR-Mediated Transcription Regulation in Bacillus subsidies via External Aldimine Formation | | Descriptor: | (4R)-4-amino-6-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}hexanoic acid, Aspartate aminotransferase | | Authors: | Wu, R, Sanishvili, R, Belitsky, B.R, Juncosa, J.I, Le, H.V, Lehrer, H.J.S, Farley, M, Silverman, R.B, Petsko, G.A, Ringe, D, Liu, D. | | Deposit date: | 2016-08-29 | | Release date: | 2017-03-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | PLP and GABA trigger GabR-mediated transcription regulation in Bacillus subtilis via external aldimine formation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5VWQ
 | | E.coli Aspartate aminotransferase-(1R,3S,4S)-3-amino-4-fluorocyclopentane-1-carboxylic acid (FCP) | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase | | Authors: | Mascarenhas, R, Lehrer, H, Liu, D, Ringe, D. | | Deposit date: | 2017-05-22 | | Release date: | 2017-08-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Selective Targeting by a Mechanism-Based Inactivator against Pyridoxal 5'-Phosphate-Dependent Enzymes: Mechanisms of Inactivation and Alternative Turnover.
Biochemistry, 56, 2017
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5VNX
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1DJE
 | | CRYSTAL STRUCTURE OF THE PLP-BOUND FORM OF 8-AMINO-7-OXONANOATE SYNTHASE | | Descriptor: | 8-AMINO-7-OXONANOATE SYNTHASE, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | Authors: | Webster, S.P, Alexeev, D, Campopiano, D.J, Watt, R.M, Alexeeva, M, Sawyer, L, Baxter, R.L. | | Deposit date: | 1999-12-02 | | Release date: | 2000-12-04 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Mechanism of 8-amino-7-oxononanoate synthase: spectroscopic, kinetic, and crystallographic studies.
Biochemistry, 39, 2000
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1DJ9
 | | CRYSTAL STRUCTURE OF 8-AMINO-7-OXONANOATE SYNTHASE (OR 7-KETO-8AMINIPELARGONATE OR KAPA SYNTHASE) COMPLEXED WITH PLP AND THE PRODUCT 8(S)-AMINO-7-OXONANONOATE (OR KAPA). THE ENZYME OF BIOTIN BIOSYNTHETIC PATHWAY. | | Descriptor: | 8-AMINO-7-OXONONANOATE SYNTHASE, MAGNESIUM ION, N-[7-KETO-8-AMINOPELARGONIC ACID]-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | | Authors: | Webster, S.P, Alexeev, D, Campopiano, D.J, Watt, R.M, Alexeeva, M, Sawyer, L, Baxter, R.L. | | Deposit date: | 1999-12-02 | | Release date: | 2000-12-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanism of 8-amino-7-oxononanoate synthase: spectroscopic, kinetic, and crystallographic studies.
Biochemistry, 39, 2000
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