3BEM
 
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7VQK
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1NOX
 | | NADH OXIDASE FROM THERMUS THERMOPHILUS | | Descriptor: | FLAVIN MONONUCLEOTIDE, NADH OXIDASE | | Authors: | Hecht, H.J, Erdmann, H, Park, H.J, Sprinzl, M, Schmid, R.D. | | Deposit date: | 1996-11-20 | | Release date: | 1997-03-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Crystal structure of NADH oxidase from Thermus thermophilus.
Nat.Struct.Biol., 2, 1995
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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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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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7TMG
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7TMF
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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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7T2Z
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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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7T33
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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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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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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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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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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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5HDJ
 | | Structure of B. megaterium NfrA1 | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NfrA1 | | Authors: | Vigouroux, A, Morera, S. | | Deposit date: | 2016-01-05 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Functional and structural characterization of two Bacillus megaterium nitroreductases biotransforming the herbicide mesotrione.
Biochem.J., 473, 2016
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5J8D
 | | Structure of nitroreductase from E. cloacae complexed with nicotinic acid adenine dinucleotide | | Descriptor: | FLAVIN MONONUCLEOTIDE, NICOTINIC ACID ADENINE DINUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | | Authors: | Haynes, C.A, Koder, R.L, Miller, A.F, Rodgers, D.W. | | Deposit date: | 2016-04-07 | | Release date: | 2017-05-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mechanism-Informed Refinement Reveals Altered Substrate-Binding Mode for Catalytically Competent Nitroreductase.
Structure, 25, 2017
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5J8G
 | | Structure of nitroreductase from E. cloacae complexed with para-nitrobenzoic acid | | Descriptor: | 4-NITROBENZOIC ACID, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | | Authors: | Haynes, C.A, Koder, R.L, Miller, A.-F, Rodgers, D.W. | | Deposit date: | 2016-04-07 | | Release date: | 2017-05-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism-Informed Refinement Reveals Altered Substrate-Binding Mode for Catalytically Competent Nitroreductase.
Structure, 25, 2017
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5KRD
 | | Crystal structure of haliscomenobacter hydrossis iodotyrosine deiodinase (IYD) bound to FMN and 2-iodophenol (2IP) | | Descriptor: | 2-iodanylphenol, FLAVIN MONONUCLEOTIDE, Nitroreductase | | Authors: | Ingavat, N, Kavran, J.M, Sun, Z, Rokita, S. | | Deposit date: | 2016-07-07 | | Release date: | 2017-02-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | Active Site Binding Is Not Sufficient for Reductive Deiodination by Iodotyrosine Deiodinase.
Biochemistry, 56, 2017
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5KO8
 | | Crystal structure of haliscomenobacter hydrossis iodotyrosine deiodinase (IYD) bound to FMN and mono-iodotyrosine (I-Tyr) | | Descriptor: | 3-IODO-TYROSINE, FLAVIN MONONUCLEOTIDE, Nitroreductase | | Authors: | Ingavat, N, Kavran, J.M, Sun, Z, Rokita, S.E. | | Deposit date: | 2016-06-29 | | Release date: | 2017-02-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Active Site Binding Is Not Sufficient for Reductive Deiodination by Iodotyrosine Deiodinase.
Biochemistry, 56, 2017
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5KO7
 | | Crystal structure of haliscomenobacter hydrossis iodotyrosine deiodinase (IYD) bound to FMN | | Descriptor: | FLAVIN MONONUCLEOTIDE, Nitroreductase | | Authors: | Ingavat, N, Kavran, J.M, Sun, Z, Rokita, S. | | Deposit date: | 2016-06-29 | | Release date: | 2017-02-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.248 Å) | | Cite: | Active Site Binding Is Not Sufficient for Reductive Deiodination by Iodotyrosine Deiodinase.
Biochemistry, 56, 2017
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2H0U
 | | Crystal structure of NAD(P)H-flavin oxidoreductase from Helicobacter pylori | | Descriptor: | FLAVIN MONONUCLEOTIDE, NADPH-flavin oxidoreductase | | Authors: | Chang, C, Xu, X, Zheng, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-05-15 | | Release date: | 2006-06-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of NAD(P)H-flavin oxidoreductase from Helicobacter pylori
To be Published
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2HAY
 | | The Crystal Structure of the Putative NAD(P)H-Flavin Oxidoreductase from Streptococcus pyogenes M1 GAS | | Descriptor: | FLAVIN MONONUCLEOTIDE, Putative NAD(P)H-flavin oxidoreductase, SULFATE ION | | Authors: | Kim, Y, Duggan, E, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-06-13 | | Release date: | 2006-07-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The Crystal Structure of the Putative NAD(P)H-Flavin Oxidoreductase from Streptococcus pyogenes M1 GAS
To be Published, 2006
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4BN6
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