1IUU
| P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-AMINOBENZOATE AT PH 9.4 | Descriptor: | 4-AMINOBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE | Authors: | Gatti, D.L, Entsch, B, Ballou, D.P, Ludwig, M.L. | Deposit date: | 1995-11-22 | Release date: | 1996-04-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | pH-dependent structural changes in the active site of p-hydroxybenzoate hydroxylase point to the importance of proton and water movements during catalysis. Biochemistry, 35, 1996
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1IUS
| P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-AMINOBENZOATE AT PH 5.0 | Descriptor: | 4-AMINOBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE | Authors: | Gatti, D.L, Entsch, B, Ballou, D.P, Ludwig, M.L. | Deposit date: | 1995-11-22 | Release date: | 1996-04-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | pH-dependent structural changes in the active site of p-hydroxybenzoate hydroxylase point to the importance of proton and water movements during catalysis. Biochemistry, 35, 1996
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1IUX
| P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-4-HYDROXYBENZOATE AT PH 9.4 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID | Authors: | Gatti, D.L, Entsch, B, Ballou, D.P, Ludwig, M.L. | Deposit date: | 1995-11-22 | Release date: | 1996-07-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | pH-dependent structural changes in the active site of p-hydroxybenzoate hydroxylase point to the importance of proton and water movements during catalysis. Biochemistry, 35, 1996
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4BK1
| Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid- assisted flavoprotein strategy for regioselective aromatic hydroxylation: H213S mutant in complex with 3-hydroxybenzoate | Descriptor: | 3-HYDROXYBENZOIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Orru, R, Montersino, S, Barendregt, A, Westphal, A.H, van Duijn, E, Mattevi, A, van Berkel, W.J.H. | Deposit date: | 2013-04-21 | Release date: | 2013-07-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy for Regioselective Aromatic Hydroxylation J.Biol.Chem., 288, 2013
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4BK2
| Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid- assisted flavoprotein strategy for regioselective aromatic hydroxylation: Q301E mutant | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL, PROBABLE SALICYLATE MONOOXYGENASE | Authors: | Orru, R, Montersino, S, Barendregt, A, Westphal, A.H, van Duijn, E, Mattevi, A, van Berkel, W.J.H. | Deposit date: | 2013-04-21 | Release date: | 2013-07-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy for Regioselective Aromatic Hydroxylation J.Biol.Chem., 288, 2013
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4BK3
| Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid- assisted flavoprotein strategy for regioselective aromatic hydroxylation: Y105F mutant | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL, ... | Authors: | Orru, R, Montersino, S, Barendregt, A, Westphal, A.H, van Duijn, E, Mattevi, A, van Berkel, W.J.H. | Deposit date: | 2013-04-21 | Release date: | 2013-07-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy for Regioselective Aromatic Hydroxylation J.Biol.Chem., 288, 2013
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4BJY
| Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid- assisted flavoprotein strategy for regioselective aromatic hydroxylation: Platinum derivative | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL, ... | Authors: | Orru, R, Montersino, S, Barendregt, A, Westphal, A.H, van Duijn, E, Mattevi, A, van Berkel, W.J.H. | Deposit date: | 2013-04-21 | Release date: | 2013-07-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy for Regioselective Aromatic Hydroxylation J.Biol.Chem., 288, 2013
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1IUV
| P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-4-HYDROXYBENZOATE AT PH 5.0 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID | Authors: | Gatti, D.L, Entsch, B, Ballou, D.P, Ludwig, M.L. | Deposit date: | 1995-11-22 | Release date: | 1996-06-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | pH-dependent structural changes in the active site of p-hydroxybenzoate hydroxylase point to the importance of proton and water movements during catalysis. Biochemistry, 35, 1996
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4BJZ
| Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid- assisted flavoprotein strategy for regioselective aromatic hydroxylation: Native data | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL, ... | Authors: | Orru, R, Montersino, S, Barendregt, A, Westphal, A.H, van Duijn, E, Mattevi, A, van Berkel, W.J.H. | Deposit date: | 2013-04-21 | Release date: | 2013-07-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy for Regioselective Aromatic Hydroxylation J.Biol.Chem., 288, 2013
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1K0L
| Pseudomonas aeruginosa phbh R220Q free of p-OHB | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, SULFATE ION, ... | Authors: | Wang, J, Ortiz-Maldonado, M, Entsch, B, Ballou, D, Gatti, D.L. | Deposit date: | 2001-09-19 | Release date: | 2002-02-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Protein and ligand dynamics in 4-hydroxybenzoate hydroxylase. Proc.Natl.Acad.Sci.USA, 99, 2002
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1K0I
| Pseudomonas aeruginosa phbh R220Q in complex with 100mM PHB | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID, ... | Authors: | Wang, J, Ortiz-Maldonado, M, Entsch, B, Ballou, D, Gatti, D.L. | Deposit date: | 2001-09-19 | Release date: | 2002-02-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Protein and ligand dynamics in 4-hydroxybenzoate hydroxylase. Proc.Natl.Acad.Sci.USA, 99, 2002
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1IUW
| P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-4-HYDROXYBENZOATE AT PH 7.4 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID | Authors: | Gatti, D.L, Entsch, B, Ballou, D.P, Ludwig, M.L. | Deposit date: | 1995-11-22 | Release date: | 1996-07-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | pH-dependent structural changes in the active site of p-hydroxybenzoate hydroxylase point to the importance of proton and water movements during catalysis. Biochemistry, 35, 1996
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1K0J
| Pseudomonas aeruginosa phbh R220Q in complex with NADPH and free of p-OHB | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, P-HYDROXYBENZOATE HYDROXYLASE, ... | Authors: | Wang, J, Ortiz-Maldonado, M, Entsch, B, Ballou, D, Gatti, D.L. | Deposit date: | 2001-09-19 | Release date: | 2002-02-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Protein and ligand dynamics in 4-hydroxybenzoate hydroxylase. Proc.Natl.Acad.Sci.USA, 99, 2002
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1IUT
| P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-AMINOBENZOATE AT PH 7.4 | Descriptor: | 4-AMINOBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE | Authors: | Gatti, D.L, Entsch, B, Ballou, D.P, Ludwig, M.L. | Deposit date: | 1995-11-22 | Release date: | 1996-04-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | pH-dependent structural changes in the active site of p-hydroxybenzoate hydroxylase point to the importance of proton and water movements during catalysis. Biochemistry, 35, 1996
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5MZK
| Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid | Descriptor: | 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Rowland, P. | Deposit date: | 2017-01-31 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis. J. Med. Chem., 60, 2017
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5MZC
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5NAB
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5NAH
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5NAE
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5NAG
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5MZI
| Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid | Descriptor: | 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Rowland, P. | Deposit date: | 2017-01-31 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis. J. Med. Chem., 60, 2017
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5N7T
| Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5,6-dichloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid | Descriptor: | 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Rowland, P. | Deposit date: | 2017-02-21 | Release date: | 2017-06-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | The discovery of potent and selective kynurenine 3-monooxygenase inhibitors for the treatment of acute pancreatitis. Bioorg. Med. Chem. Lett., 27, 2017
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5NA5
| Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) apo structure | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Rowland, P. | Deposit date: | 2017-02-27 | Release date: | 2017-06-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase. Nat Commun, 8, 2017
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5NAK
| Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with the enzyme substrate L-kynurenine | Descriptor: | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Taylor, M, Mowat, C.G, Rowland, P. | Deposit date: | 2017-02-28 | Release date: | 2017-06-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase. Nat Commun, 8, 2017
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1PBF
| CRYSTAL STRUCTURES OF WILD-TYPE P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-AMINOBENZOATE, 2,4-DIHYDROXYBENZOATE AND 2-HYDROXY-4-AMINOBENZOATE AND OF THE TRY222ALA MUTANT, COMPLEXED WITH 2-HYDROXY-4-AMINOBENZOATE. EVIDENCE FOR A PROTON CHANNEL AND A NEW BINDING MODE OF THE FLAVIN RING | Descriptor: | 2-HYDROXY-4-AMINOBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE | Authors: | Schreuder, H.A, Van Der Bolt, F.J.T, Van Berkel, W.J.H. | Deposit date: | 1994-07-06 | Release date: | 1994-09-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of wild-type p-hydroxybenzoate hydroxylase complexed with 4-aminobenzoate,2,4-dihydroxybenzoate, and 2-hydroxy-4-aminobenzoate and of the Tyr222Ala mutant complexed with 2-hydroxy-4-aminobenzoate. Evidence for a proton channel and a new binding mode of the flavin ring Biochemistry, 33, 1994
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