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7AH0
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Crystal structure of the de novo designed two-heme binding protein, 4D2
分子名称: 4D2, PROTOPORPHYRIN IX CONTAINING FE
著者Hutchins, G.H, Parnell, A.E, Anderson, J.L.R.
登録日2020-09-23
公開日2021-10-06
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献An expandable, modular de novo protein platform for precision redox engineering.
Proc.Natl.Acad.Sci.USA, 120, 2023
2NNB
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BU of 2nnb by Molmil
The Q403K mutant heme domain of flavocytochrome P450 BM3
分子名称: Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Clark, J.P, Anderson, J.L.R, Miles, C.S, Mowat, C.G, Reid, G.A, Chapman, S.K.
登録日2006-10-24
公開日2007-09-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Q403K mutant heme domain of flavocytochrome P450 BM3
To be published
8OG3
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BU of 8og3 by Molmil
E. coli NfsB triple mutant T41L/N71S/F124T bound to citrate
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, FLAVIN MONONUCLEOTIDE, ...
著者Day, M.A, White, S.A, Hyde, E.I, Searle, P.F.
登録日2023-03-17
公開日2023-04-19
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献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
8CCR
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Crystal structure of the T19D mutant of the de novo diheme binding 4D2
分子名称: (2S)-2-hydroxybutanedioic acid, 4D2 (mutant T19D), CHLORIDE ION, ...
著者Barringer, R, Anderson, R.
登録日2023-01-27
公開日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An expandable, modular de novo protein platform for precision redox engineering.
Proc.Natl.Acad.Sci.USA, 120, 2023
6H08
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BU of 6h08 by Molmil
The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with a His175Me-His proximal ligand substitution
分子名称: COBALT (II) ION, Cytochrome c peroxidase, mitochondrial, ...
著者Ortmayer, M, Levy, C, Green, A.P.
登録日2018-07-06
公開日2020-02-12
最終更新日2020-07-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rewiring the "Push-Pull" Catalytic Machinery of a Heme Enzyme Using an Expanded Genetic Code.
Acs Catalysis, 10, 2020
7NB9
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E. coli NfsA with nitrofurantoin
分子名称: 1-[(~{E})-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione, DIMETHYL SULFOXIDE, FLAVIN MONONUCLEOTIDE, ...
著者Day, M.D, Jarrom, D, Grainger, A.I, Parr, R.J, Hyde, E.I, White, S.A.
登録日2021-01-25
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献The structures of E. coli NfsA bound to the antibiotic nitrofurantoin; to 1,4-benzoquinone and to FMN.
Biochem.J., 478, 2021
7NNX
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E. coli NfsA with 1,4-benzoquinone
分子名称: 1,2-ETHANEDIOL, 1,4-benzoquinone, CHLORIDE ION, ...
著者Day, M.D, Jarrom, D, Hyde, E.I, White, S.A.
登録日2021-02-25
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The structures of E. coli NfsA bound to the antibiotic nitrofurantoin; to 1,4-benzoquinone and to FMN.
Biochem.J., 478, 2021
7NMP
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E. coli NfsA with hydroquinone
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Day, M.D, Jarrom, D, Parr, R.J, Hyde, E.I, White, S.A.
登録日2021-02-23
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The structures of E. coli NfsA bound to the antibiotic nitrofurantoin; to 1,4-benzoquinone and to FMN.
Biochem.J., 478, 2021
7NIY
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E. coli NfsA with FMN
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
著者Day, M.D, Jarrom, D, Hyde, E.I, White, S.A.
登録日2021-02-14
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献The structures of E. coli NfsA bound to the antibiotic nitrofurantoin; to 1,4-benzoquinone and to FMN.
Biochem.J., 478, 2021
3BK9
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H55A mutant of tryptophan 2,3-dioxygenase from Xanthomonas campestris
分子名称: PROTOPORPHYRIN IX CONTAINING FE, TRYPTOPHAN, Tryptophan 2,3-dioxygenase
著者Bruckmann, C, Mowat, C.G.
登録日2007-12-06
公開日2008-09-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Histidine 55 of tryptophan 2,3-dioxygenase is not an active site base but regulates catalysis by controlling substrate binding
Biochemistry, 47, 2008
8C5E
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BU of 8c5e by Molmil
E. coli NfsB-T41Q/N71S/F124T mutant bound to nicotinic acid
分子名称: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, ...
著者White, S.A, Hyde, E.I, Day, M.A.
登録日2023-01-06
公開日2023-04-19
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献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
8C5P
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BU of 8c5p by Molmil
E. coli NfsB mutant N71S T41L with acetate
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Day, M.A, White, S.A, Hyde, E.I.
登録日2023-01-10
公開日2023-04-19
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献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
8C5F
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BU of 8c5f by Molmil
E. coli NfsB-T41Q/N71S/F124T mutant bound to acetate
分子名称: 1,2-ETHANEDIOL, ACETATE ION, FLAVIN MONONUCLEOTIDE, ...
著者White, S.A, Hyde, E.I, Day, M.A.
登録日2023-01-07
公開日2023-04-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
8CJ0
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BU of 8cj0 by Molmil
E. coli NfsB-T41Q/N71S/F124T/M127V mutant bound to nicotinate
分子名称: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, ...
著者White, S.A, Hyde, E.I, Day, M.A.
登録日2023-02-11
公開日2023-04-19
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献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
8CCV
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BU of 8ccv by Molmil
E. coli NfsB mutant T41LN71S with nicotinate
分子名称: FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, Oxygen-insensitive NAD(P)H nitroreductase
著者Day, M.A, White, S.A, Hyde, E.I, Searle, P.F.
登録日2023-01-27
公開日2023-04-19
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
2V7I
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BU of 2v7i by Molmil
PrnB native
分子名称: PRNB, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Naismith, J.H.
登録日2007-07-30
公開日2007-08-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily
Biochemistry, 46, 2007
2V7K
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PrnB D-tryptophan complex
分子名称: D-TRYPTOPHAN, PRNB, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Naismith, J.H.
登録日2007-07-30
公開日2007-08-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily
Biochemistry, 46, 2007
2V7J
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BU of 2v7j by Molmil
PrnB L-tryptophan complex
分子名称: PRNB, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
著者Naismith, J.H.
登録日2007-07-30
公開日2007-08-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily
Biochemistry, 46, 2007
2V7L
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PrnB 7Cl-L-tryptophan complex
分子名称: 7-CHLOROTRYPTOPHAN, PRNB, PROTOPORPHYRIN IX CONTAINING FE
著者Naismith, J.H.
登録日2007-07-30
公開日2007-08-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily.
Biochemistry, 46, 2007
2V7M
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BU of 2v7m by Molmil
PrnB 7-Cl-D-tryptophan complex
分子名称: 7-CL-D-TRYPTOPHAN, PHOSPHATE ION, PRNB, ...
著者Naismith, J.H.
登録日2007-07-30
公開日2007-08-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily
Biochemistry, 46, 2007
2NWB
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Crystal Structure of a Putative 2,3-dioxygenase (SO4414) from Shewanella oneidensis in complex with ferric heme. Northeast Structural Genomics Target SoR52.
分子名称: Conserved domain protein, PROTOPORPHYRIN IX CONTAINING FE
著者Forouhar, F, Anderson, J.L.R, Mowat, C.G, Hussain, A, Seetharaman, J, Bruckmann, C, Thackray, S.J, Khan, N, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Ma, L.C, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Champman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-11-14
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2NW8
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Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferrous heme and tryptophan. Northeast Structural Genomics Target XcR13.
分子名称: MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, TRYPTOPHAN, ...
著者Forouhar, F, Anderson, J.L.R, Mowat, C.G, Bruckmann, C, Thackray, S.J, Seetharaman, J, Ho, C.K, Ma, L.C, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Champman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-11-14
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2NW9
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Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferrous heme and 6-fluoro-tryptophan. Northeast Structural Genomics Target XcR13
分子名称: 6-FLUORO-L-TRYPTOPHAN, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Forouhar, F, Anderson, J.L.R, Mowat, C.G, Bruckmann, C, Thackray, S.J, Seetharaman, J, Ho, C.K, Ma, L.C, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Champman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-11-14
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2NW7
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Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferric heme. Northeast Structural Genomics Target XcR13
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase
著者Forouhar, F, Anderson, J.L.R, Mowat, C.G, Hussain, A, Bruckmann, C, Thackray, S.J, Seetharaman, J, Tucker, T, Ho, C.K, Ma, L.C, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Chapman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-11-14
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007

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