8QES
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8QPO
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8UC3
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8QYG
| Crystal structure of Nitroreductase from Bacillus tequilensis | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | Authors: | Rozeboom, H.J, Russo, S, Fraaije, M.W, Poelarends, G.J. | Deposit date: | 2023-10-26 | Release date: | 2024-05-08 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Biochemical, kinetic, and structural characterization of a Bacillus tequilensis nitroreductase. Febs J., 2024
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8CQT
| Flavin mononucleotide-dependent nitroreductase B.thetaiotaomicron (BT_1316) | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, Putative NADH dehydrogenase/NAD(P)H nitroreductase | Authors: | Blaha, J, Adam, L, Beckham, K.S.H, Chojnowski, G, Wilmanns, M, Zimmermann, M. | Deposit date: | 2023-03-07 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into the diversity of nitroreductase enzymes in Bacteroides thetaiotaomicron To Be Published
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8CQU
| Flavin mononucleotide-dependent nitroreductase B.thetaiotaomicron (BT_1680) | Descriptor: | CITRIC ACID, Putative NADH dehydrogenase/NAD(P)H nitroreductase, TERTIARY-BUTYL ALCOHOL | Authors: | Blaha, J, Adam, L, Beckham, K.S.H, Chojnowski, G, Wilmanns, M, Zimmermann, M. | Deposit date: | 2023-03-07 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into the diversity of nitroreductase enzymes in Bacteroides thetaiotaomicron To Be Published
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8CQV
| Flavin mononucleotide-dependent nitroreductase B.thetaiotaomicron (BT_3392) | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Blaha, J, Adam, L, Beckham, K.S.H, Chojnowski, G, Wilmanns, M, Zimmermann, M. | Deposit date: | 2023-03-07 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insights into the diversity of nitroreductase enzymes in Bacteroides thetaiotaomicron To Be Published
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8CQS
| Flavin mononucleotide-dependent nitroreductase B.thetaiotaomicron (BT_0217) | Descriptor: | FLAVIN MONONUCLEOTIDE, Nitroreductase-like protein, PHOSPHATE ION | Authors: | Blaha, J, Gratzl, S, Mortensen, S.A, Beckham, K.S.H, Chojnowski, G, Wilmanns, M, Zimmermann, M. | Deposit date: | 2023-03-07 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insights into the diversity of nitroreductase enzymes in Bacteroides thetaiotaomicron To Be Published
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8Q5G
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8PZ5
| Structure of ThcOx, solved at wavelength 3.099 A | Descriptor: | FLAVIN MONONUCLEOTIDE, SagB-type dehydrogenase domain protein | Authors: | Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A. | Deposit date: | 2023-07-27 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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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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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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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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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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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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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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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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8AJX
| E. coli NfsA with Fumarate | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, FUMARIC ACID, ... | Authors: | Day, M.A, Jarrom, D, White, S.A, Hyde, E.I. | Deposit date: | 2022-07-28 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Oxygen-insensitive nitroreductase E. coli NfsA, but not NfsB, is inhibited by fumarate. Proteins, 91, 2023
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7VQK
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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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8DOR
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7Z0W
| E. coli NfsA bound to NADP+ | Descriptor: | 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, ... | Authors: | White, S.A, Grainger, A, Parr, R, Day, M.A, Jarrom, D, Graziano, A, Searle, P.F, Hyde, E.I. | Deposit date: | 2022-02-23 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | The 3D-structure, kinetics and dynamics of the E. coli nitroreductase NfsA with NADP + provide glimpses of its catalytic mechanism. Febs Lett., 596, 2022
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8DIL
| Crystal structure of putative nitroreductase from Salmonella enterica | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Chang, C, Skarina, T, Mesa, N, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-06-29 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of putative nitroreductase from Salmonella enterica to be published
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7Q0O
| E. coli NfsA | Descriptor: | FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NADPH nitroreductase | Authors: | White, S.A, Grainger, A, Parr, R, Day, M.A, Jarrom, D, Graziano, A, Searle, P.F, Hyde, E.I. | Deposit date: | 2021-10-15 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | The 3D-structure, kinetics and dynamics of the E. coli nitroreductase NfsA with NADP + provide glimpses of its catalytic mechanism. Febs Lett., 596, 2022
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7UWT
| Structure of Oxygen-Insensitive NAD(P)H-dependent Nitroreductase NfsB_Vv F70A/F108Y (NTR 2.0) in complex with FMN at 1.85 Angstroms resolution | Descriptor: | ACETATE ION, Dihydropteridine reductase, FLAVIN MONONUCLEOTIDE, ... | Authors: | Sharrock, A.V, Arcus, V, Mumm, J.S, Ackerley, D.F. | Deposit date: | 2022-05-03 | Release date: | 2022-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Crystal Structure of Engineered Nitroreductase NTR 2.0 and Impact of F70A and F108Y Substitutions on Substrate Specificity. Int J Mol Sci, 24, 2023
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