8C5F
| E. coli NfsB-T41Q/N71S/F124T mutant bound to acetate | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | White, S.A, Hyde, E.I, Day, M.A. | Deposit date: | 2023-01-07 | Release date: | 2023-04-19 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954. Int J Mol Sci, 24, 2023
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8C5E
| E. coli NfsB-T41Q/N71S/F124T mutant bound to nicotinic acid | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, ... | Authors: | White, S.A, Hyde, E.I, Day, M.A. | Deposit date: | 2023-01-06 | Release date: | 2023-04-19 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954. Int J Mol Sci, 24, 2023
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8C5P
| E. coli NfsB mutant N71S T41L with acetate | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Day, M.A, White, S.A, Hyde, E.I. | Deposit date: | 2023-01-10 | Release date: | 2023-04-19 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954. Int J Mol Sci, 24, 2023
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1YKI
| The structure of E. coli nitroreductase bound with the antibiotic nitrofurazone | Descriptor: | CITRIC ACID, DIMETHYL SULFOXIDE, FLAVIN MONONUCLEOTIDE, ... | Authors: | Race, P.R, Lovering, A.L, Green, R.M, Ossor, A, White, S.A, Searle, P.F, Wrighton, C.J, Hyde, E.I. | Deposit date: | 2005-01-18 | Release date: | 2005-02-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and mechanistic studies of Escherichia coli nitroreductase with the antibiotic nitrofurazone. Reversed binding orientations in different redox states of the enzyme. J.Biol.Chem., 280, 2005
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1ICR
| THE STRUCTURE OF ESCHERICHIA COLI NITROREDUCTASE COMPLEXED WITH NICOTINIC ACID | Descriptor: | FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE | Authors: | Lovering, A.L, Hyde, E.I, Searle, P.F, White, S.A. | Deposit date: | 2001-04-02 | Release date: | 2001-04-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structure of Escherichia coli nitroreductase complexed with nicotinic acid: three crystal forms at 1.7 A, 1.8 A and 2.4 A resolution. J.Mol.Biol., 309, 2001
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1YLR
| The structure of E.coli nitroreductase with bound acetate, crystal form 1 | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | Authors: | Race, P.R, Lovering, A.L, Green, R.M, Ossor, A, White, S.A, Searle, P.F, Wrighton, C.J, Hyde, E.I. | Deposit date: | 2005-01-19 | Release date: | 2005-02-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and mechanistic studies of Escherichia coli nitroreductase with the antibiotic nitrofurazone. Reversed binding orientations in different redox states of the enzyme. J.Biol.Chem., 280, 2005
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1ICU
| THE STRUCTURE OF ESCHERICHIA COLI NITROREDUCTASE COMPLEXED WITH NICOTINIC ACID | Descriptor: | FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE | Authors: | Lovering, A.L, Hyde, E.I, Searle, P.F, White, S.A. | Deposit date: | 2001-04-02 | Release date: | 2001-04-18 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structure of Escherichia coli nitroreductase complexed with nicotinic acid: three crystal forms at 1.7 A, 1.8 A and 2.4 A resolution. J.Mol.Biol., 309, 2001
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7X32
| Crystal structure of E. coli NfsB in complex with berberine | Descriptor: | BERBERINE, DIMETHYL SULFOXIDE, Dihydropteridine reductase, ... | Authors: | Zhang, H, Wen, H.Y. | Deposit date: | 2022-02-27 | Release date: | 2022-10-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.829 Å) | Cite: | Structural basis for the transformation of the traditional medicine berberine by bacterial nitroreductase. Acta Crystallogr D Struct Biol, 78, 2022
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8CJ0
| E. coli NfsB-T41Q/N71S/F124T/M127V mutant bound to nicotinate | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, ... | Authors: | White, S.A, Hyde, E.I, Day, M.A. | Deposit date: | 2023-02-11 | Release date: | 2023-04-19 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954. Int J Mol Sci, 24, 2023
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1IDT
| STRUCTURAL STUDIES ON A PRODRUG-ACTIVATING SYSTEM-CB1954 AND FMN-DEPENDENT NITROREDUCTASE | Descriptor: | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, FLAVIN MONONUCLEOTIDE, MINOR FMN-DEPENDENT NITROREDUCTASE | Authors: | Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S. | Deposit date: | 2001-04-05 | Release date: | 2003-09-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form. J.Med.Chem., 46, 2003
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1OOQ
| Nitroreductase from e-coli in complex with the inhibitor dicoumarol | Descriptor: | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | Authors: | Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S. | Deposit date: | 2003-03-04 | Release date: | 2003-04-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form J.Med.Chem., 46, 2003
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1YLU
| The structure of E. coli nitroreductase with bound acetate, crystal form 2 | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | Authors: | Race, P.R, Lovering, A.L, Green, R.M, Ossor, A, White, S.A, Searle, P.F, Wrighton, C.J, Hyde, E.I. | Deposit date: | 2005-01-19 | Release date: | 2005-02-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and mechanistic studies of Escherichia coli nitroreductase with the antibiotic nitrofurazone. Reversed binding orientations in different redox states of the enzyme. J.Biol.Chem., 280, 2005
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1OO6
| Nitroreductase from e-coli in complex with the dinitrobenzamide prodrug SN23862 | Descriptor: | 5-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-DINTRO-BENZAMIDE, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | Authors: | Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S. | Deposit date: | 2003-03-03 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form J.Med.Chem., 46, 2003
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3X22
| Crystal structure of Escherichia coli nitroreductase NfsB mutant N71S/F123A/F124W | Descriptor: | FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | Authors: | Bai, J, Yang, J, Zhou, Y, Yang, Q. | Deposit date: | 2014-12-06 | Release date: | 2015-11-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Structural basis of Escherichia coli nitroreductase NfsB triple mutants engineered for improved activity and regioselectivity toward the prodrug CB1954 PROCESS BIOCHEM, 50, 2015
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1DS7
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8OG3
| E. coli NfsB triple mutant T41L/N71S/F124T bound to citrate | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, FLAVIN MONONUCLEOTIDE, ... | Authors: | Day, M.A, White, S.A, Hyde, E.I, Searle, P.F. | Deposit date: | 2023-03-17 | Release date: | 2023-04-19 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954. Int J Mol Sci, 24, 2023
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8CCV
| E. coli NfsB mutant T41LN71S with nicotinate | Descriptor: | FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, Oxygen-insensitive NAD(P)H nitroreductase | Authors: | Day, M.A, White, S.A, Hyde, E.I, Searle, P.F. | Deposit date: | 2023-01-27 | Release date: | 2023-04-19 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954. Int J Mol Sci, 24, 2023
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1ICV
| THE STRUCTURE OF ESCHERICHIA COLI NITROREDUCTASE COMPLEXED WITH NICOTINIC ACID | Descriptor: | FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE | Authors: | Lovering, A.L, Hyde, E.I, Searle, P.F, White, S.A. | Deposit date: | 2001-04-02 | Release date: | 2001-04-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The structure of Escherichia coli nitroreductase complexed with nicotinic acid: three crystal forms at 1.7 A, 1.8 A and 2.4 A resolution. J.Mol.Biol., 309, 2001
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8QES
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1OON
| Nitroreductase from e-coli in complex with the dinitrobenzamide prodrug SN27217 | Descriptor: | 2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMINO]-N-(2',3'-DIOXOPROPYL)BENZAMIDE, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | Authors: | Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S. | Deposit date: | 2003-03-04 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form J.Med.Chem., 46, 2003
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1OO5
| Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of the Enzyme Active Form and Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs | Descriptor: | FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | Authors: | Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S. | Deposit date: | 2003-03-03 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form J.Med.Chem., 46, 2003
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8QPO
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7XWW
| Crystal structure of NTR in complex with BN-XB | Descriptor: | 2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-8-[1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-yl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene, Dihydropteridine reductase, FLAVIN MONONUCLEOTIDE | Authors: | Chen, X, Chen, J, Li, J.L. | Deposit date: | 2022-05-27 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of NTR in complex with BN-XB To Be Published
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3X21
| Crystal structure of Escherichia coli nitroreductase NfsB mutant T41L/N71S/F124W | Descriptor: | FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | Authors: | Bai, J, Yang, J, Zhou, Y, Yang, Q. | Deposit date: | 2014-12-06 | Release date: | 2015-05-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.002 Å) | Cite: | Altering the regioselectivity of a nitroreductase in the synthesis of arylhydroxylamines by structure-based engineering. Chembiochem, 16, 2015
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