5DJ1
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![BU of 5dj1 by Molmil](/molmil-images/mine/5dj1) | Structure of the PLP-Dependent L-Arginine Hydroxylase MppP Holoenzyme | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PLP-Dependent L-Arginine Hydroxylase MppP | Authors: | Silvaggi, N.R, Han, L. | Deposit date: | 2015-09-01 | Release date: | 2015-11-25 | Last modified: | 2017-05-03 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Streptomyces wadayamensis MppP Is a Pyridoxal 5'-Phosphate-Dependent l-Arginine alpha-Deaminase, gamma-Hydroxylase in the Enduracididine Biosynthetic Pathway. Biochemistry, 54, 2015
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8V9M
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![BU of 8v9m by Molmil](/molmil-images/mine/8v9m) | Human Ornithine Aminotransferase cocrystallized with its inhibitor, (R)-3-amino-5,5-difluorocyclohex-1-ene-1-carboxylic acid. | Descriptor: | 3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid, GLYCEROL, Ornithine aminotransferase, ... | Authors: | Vargas, A.L, Devitt, A, Kaley, N, Silverman, R, Liu, D. | Deposit date: | 2023-12-08 | Release date: | 2024-05-08 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Design, Synthesis, and Mechanistic Studies of ( R )-3-Amino-5,5-difluorocyclohex-1-ene-1-carboxylic Acid as an Inactivator of Human Ornithine Aminotransferase. Acs Chem.Biol., 19, 2024
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7TFP
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![BU of 7tfp by Molmil](/molmil-images/mine/7tfp) | Human Ornithine Aminotransferase cocrystallized with its inhibitor, (1S,3S)-3-amino-4-(difluoromethylene)cyclopentane-1-carboxylic acid. | Descriptor: | (1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ... | Authors: | Butrin, A, Zhu, W, Silverman, R, Liu, D. | Deposit date: | 2022-01-06 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase. J.Am.Chem.Soc., 144, 2022
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7UF5
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![BU of 7uf5 by Molmil](/molmil-images/mine/7uf5) | RibB from Vibrio cholera bound with intermediate 2 in the reaction cycle and the products DHBP and formate | Descriptor: | (2R)-2-(dihydroxymethyl)-2-hydroxy-3-oxobutyl dihydrogen phosphate, (2R)-2-hydroxy-3-oxobutyl dihydrogen phosphate, 3,4-dihydroxy-2-butanone 4-phosphate synthase, ... | Authors: | Kenjic, N, Meneely, K.M, Lamb, A.L. | Deposit date: | 2022-03-22 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Evidence for the Chemical Mechanism of RibB (3,4-Dihydroxy-2-butanone 4-phosphate Synthase) of Riboflavin Biosynthesis. J.Am.Chem.Soc., 144, 2022
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7UF0
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![BU of 7uf0 by Molmil](/molmil-images/mine/7uf0) | RibB from Vibrio cholera bound with D-ribulose-5-phosphate (D-Ru5P) | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, RIBULOSE-5-PHOSPHATE | Authors: | Kenjic, N, Meneely, K.M, Lamb, A.L. | Deposit date: | 2022-03-22 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evidence for the Chemical Mechanism of RibB (3,4-Dihydroxy-2-butanone 4-phosphate Synthase) of Riboflavin Biosynthesis. J.Am.Chem.Soc., 144, 2022
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7UEZ
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![BU of 7uez by Molmil](/molmil-images/mine/7uez) | Apo RibB from Vibrio cholera | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase | Authors: | Kenjic, N, Meneely, K.M, Lamb, A.L. | Deposit date: | 2022-03-22 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Evidence for the Chemical Mechanism of RibB (3,4-Dihydroxy-2-butanone 4-phosphate Synthase) of Riboflavin Biosynthesis. J.Am.Chem.Soc., 144, 2022
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7UF1
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![BU of 7uf1 by Molmil](/molmil-images/mine/7uf1) | RibB from Vibrio cholera bound with D-Ribose-5-phosphate (D-R5P) and manganese | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, MANGANESE (II) ION, RIBOSE-5-PHOSPHATE | Authors: | Kenjic, N, Meneely, K.M, Lamb, A.L. | Deposit date: | 2022-03-22 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Evidence for the Chemical Mechanism of RibB (3,4-Dihydroxy-2-butanone 4-phosphate Synthase) of Riboflavin Biosynthesis. J.Am.Chem.Soc., 144, 2022
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7UF4
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![BU of 7uf4 by Molmil](/molmil-images/mine/7uf4) | RibB from Vibrio cholera bound with intermediate 1 of the reaction cycle and D-ribulose-5-phosphate (D-Ru5P) | Descriptor: | (2R)-2-hydroxy-3,4-dioxopentyl dihydrogen phosphate, 1,2-ETHANEDIOL, 3,4-dihydroxy-2-butanone 4-phosphate synthase, ... | Authors: | Kenjic, N, Meneely, K.M, Lamb, A.L. | Deposit date: | 2022-03-22 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Evidence for the Chemical Mechanism of RibB (3,4-Dihydroxy-2-butanone 4-phosphate Synthase) of Riboflavin Biosynthesis. J.Am.Chem.Soc., 144, 2022
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7UF2
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![BU of 7uf2 by Molmil](/molmil-images/mine/7uf2) | RibB from Vibrio cholera bound with D-xylulose-5-phosphate (D-Xy5P) and manganese | Descriptor: | 1,2-ETHANEDIOL, 3,4-dihydroxy-2-butanone 4-phosphate synthase, 5-O-phosphono-D-xylulose, ... | Authors: | Kenjic, N, Meneely, K.M, Lamb, A.L. | Deposit date: | 2022-03-22 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evidence for the Chemical Mechanism of RibB (3,4-Dihydroxy-2-butanone 4-phosphate Synthase) of Riboflavin Biosynthesis. J.Am.Chem.Soc., 144, 2022
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7UF3
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![BU of 7uf3 by Molmil](/molmil-images/mine/7uf3) | RibB from Vibrio cholera bound with L-xylulose-5-phosphate (L-Xy5P) and manganese | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, L-xylulose-5-phosphate, MANGANESE (II) ION | Authors: | Kenjic, N, Meneely, K.M, Lamb, A.L. | Deposit date: | 2022-03-22 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evidence for the Chemical Mechanism of RibB (3,4-Dihydroxy-2-butanone 4-phosphate Synthase) of Riboflavin Biosynthesis. J.Am.Chem.Soc., 144, 2022
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8EZ1
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![BU of 8ez1 by Molmil](/molmil-images/mine/8ez1) | Human Ornithine Aminotransferase (hOAT) co-crystallized with its inactivator 3-Amino-4-fluorocyclopentenecarboxylic Acid | Descriptor: | (1R,3S,4Z)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid, (3E,4E)-4-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-iminocyclopent-1-ene-1-carboxylic acid, Ornithine aminotransferase, ... | Authors: | Butrin, A, Shen, S, Silverman, R, Liu, D. | Deposit date: | 2022-10-30 | Release date: | 2023-02-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structural and Mechanistic Basis for the Inactivation of Human Ornithine Aminotransferase by (3 S ,4 S )-3-Amino-4-fluorocyclopentenecarboxylic Acid. Molecules, 28, 2023
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7LK0
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![BU of 7lk0 by Molmil](/molmil-images/mine/7lk0) | Ornithine Aminotransferase (OAT) cocrystallized with its potent inhibitor - (S)-3-amino-4,4-difluorocyclopent-1-enecarboxylic acid (SS-1-148) | Descriptor: | (1R,3S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial | Authors: | Butrin, A, Shen, S, Liu, D, Silverman, R. | Deposit date: | 2021-02-01 | Release date: | 2022-02-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Turnover and Inactivation Mechanisms for ( S )-3-Amino-4,4-difluorocyclopent-1-enecarboxylic Acid, a Selective Mechanism-Based Inactivator of Human Ornithine Aminotransferase. J.Am.Chem.Soc., 143, 2021
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7LK1
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![BU of 7lk1 by Molmil](/molmil-images/mine/7lk1) | Ornithine Aminotransferase (OAT) with its potent inhibitor - (S)-3-amino-4,4-difluorocyclopent-1-enecarboxylic acid (SS-1-148) - 1 Hour Soaking | Descriptor: | (1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid, Ornithine aminotransferase, mitochondrial | Authors: | Butrin, A, Shen, S, Liu, D, Silverman, R. | Deposit date: | 2021-02-01 | Release date: | 2022-02-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Turnover and Inactivation Mechanisms for ( S )-3-Amino-4,4-difluorocyclopent-1-enecarboxylic Acid, a Selective Mechanism-Based Inactivator of Human Ornithine Aminotransferase. J.Am.Chem.Soc., 143, 2021
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5JY8
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![BU of 5jy8 by Molmil](/molmil-images/mine/5jy8) | An iron-bound structure of the isochorismate synthase EntC | Descriptor: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, FE (III) ION, Isochorismate synthase EntC | Authors: | Meneely, K.M, Sundlov, J.A, Gulick, A.M, Lamb, A.L. | Deposit date: | 2016-05-13 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.942 Å) | Cite: | An Open and Shut Case: The Interaction of Magnesium with MST Enzymes. J.Am.Chem.Soc., 138, 2016
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5JY9
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![BU of 5jy9 by Molmil](/molmil-images/mine/5jy9) | |
5JXZ
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![BU of 5jxz by Molmil](/molmil-images/mine/5jxz) | A low magnesium structure of the isochorismate synthase, EntC | Descriptor: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, Isochorismate synthase EntC, ... | Authors: | Meneely, K.M, Sundlov, J.A, Gulick, A.M, Lamb, A.L. | Deposit date: | 2016-05-13 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | An Open and Shut Case: The Interaction of Magnesium with MST Enzymes. J.Am.Chem.Soc., 138, 2016
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5JZD
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![BU of 5jzd by Molmil](/molmil-images/mine/5jzd) | A re-refinement of the isochorismate synthase EntC | Descriptor: | (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, Isochorismate synthase EntC, MAGNESIUM ION | Authors: | Meneely, K.M, Lamb, A.L. | Deposit date: | 2016-05-16 | Release date: | 2016-07-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | An Open and Shut Case: The Interaction of Magnesium with MST Enzymes. J.Am.Chem.Soc., 138, 2016
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5JY4
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![BU of 5jy4 by Molmil](/molmil-images/mine/5jy4) | A high magnesium structure of the isochorismate synthase, EntC | Descriptor: | (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, Isochorismate synthase EntC, MAGNESIUM ION | Authors: | Meneely, K.M, Sundlov, J.A, Gulick, A.M, Lamb, A.L. | Deposit date: | 2016-05-13 | Release date: | 2016-07-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | An Open and Shut Case: The Interaction of Magnesium with MST Enzymes. J.Am.Chem.Soc., 138, 2016
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7JX9
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![BU of 7jx9 by Molmil](/molmil-images/mine/7jx9) | The crystal structure of human ornithine aminotransferase with an intermediate bound during inactivation by (1S,3S)-3-amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic acid. | Descriptor: | (1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid, N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine, Ornithine aminotransferase, ... | Authors: | Butrin, A, Beaupre, B, Shen, S, Silverman, R.B, Moran, G, Liu, D. | Deposit date: | 2020-08-26 | Release date: | 2021-01-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural and Kinetic Analyses Reveal the Dual Inhibition Modes of Ornithine Aminotransferase by (1 S ,3 S )-3-Amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic Acid (BCF 3 ). Acs Chem.Biol., 16, 2021
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7LJT
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![BU of 7ljt by Molmil](/molmil-images/mine/7ljt) | Porcine Dihydropyrimidine Dehydrogenase (DPD) soaked with 5-Ethynyluracil (5EU), NADPH - 20 minutes | Descriptor: | 5-ethynylpyrimidine-2,4(1H,3H)-dione, Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN MONONUCLEOTIDE, ... | Authors: | Butrin, A, Forouzesh, D, Beaupre, B, Wawrzak, Z, Liu, D, Moran, G. | Deposit date: | 2021-01-30 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The Interaction of Porcine Dihydropyrimidine Dehydrogenase with the Chemotherapy Sensitizer: 5-Ethynyluracil. Biochemistry, 60, 2021
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7LJS
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![BU of 7ljs by Molmil](/molmil-images/mine/7ljs) | Porcine Dihydropyrimidine dehydrogenase (DPD) complexed with 5-Ethynyluracil (5EU) - Open Form | Descriptor: | 5-ethynylpyrimidine-2,4(1H,3H)-dione, Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN MONONUCLEOTIDE, ... | Authors: | Butrin, A, Forouzesh, D, Beaupre, B, Wawrzak, Z, Liu, D, Moran, G. | Deposit date: | 2021-01-30 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Interaction of Porcine Dihydropyrimidine Dehydrogenase with the Chemotherapy Sensitizer: 5-Ethynyluracil. Biochemistry, 60, 2021
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7LJU
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![BU of 7lju by Molmil](/molmil-images/mine/7lju) | Porcine Dihydropyrimidine Dehydrogenase (DPD) crosslinked with 5-Ethynyluracil (5EU) | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 5-ethynylpyrimidine-2,4(1H,3H)-dione, Dihydropyrimidine dehydrogenase [NADP(+)], ... | Authors: | Butrin, A, Forouzesh, D, Beaupre, B, Wawrzak, Z, Liu, D, Moran, G. | Deposit date: | 2021-01-30 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | The Interaction of Porcine Dihydropyrimidine Dehydrogenase with the Chemotherapy Sensitizer: 5-Ethynyluracil. Biochemistry, 60, 2021
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