3A8G
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![BU of 3a8g by Molmil](/molmil-images/mine/3a8g) | Crystal structure of Nitrile Hydratase mutant S113A complexed with Trimethylacetonitrile | Descriptor: | 2,2-dimethylpropanenitrile, FE (III) ION, MAGNESIUM ION, ... | Authors: | Yamanaka, Y, Hashimoto, K, Ohtaki, A, Noguchi, K, Yohda, M, Odaka, M. | Deposit date: | 2009-10-06 | Release date: | 2010-04-14 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Kinetic and structural studies on roles of the serine ligand and a strictly conserved tyrosine residue in nitrile hydratase J.Biol.Inorg.Chem., 15, 2010
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3WVD
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![BU of 3wvd by Molmil](/molmil-images/mine/3wvd) | Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile, photo-activated for 50 min | Descriptor: | 2,2-dimethylpropanenitrile, FE (III) ION, MAGNESIUM ION, ... | Authors: | Yamanaka, Y, Hashimoto, K, Noguchi, K, Yohda, M, Odaka, M. | Deposit date: | 2014-05-17 | Release date: | 2015-06-17 | Last modified: | 2015-11-04 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Time-Resolved Crystallography of the Reaction Intermediate of Nitrile Hydratase: Revealing a Role for the Cysteinesulfenic Acid Ligand as a Catalytic Nucleophile. Angew.Chem.Int.Ed.Engl., 54, 2015
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3X20
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![BU of 3x20 by Molmil](/molmil-images/mine/3x20) | Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile, photo-activated for 25 min | Descriptor: | 2,2-dimethylpropanenitrile, CHLORIDE ION, FE (III) ION, ... | Authors: | Yamanaka, Y, Hashimoto, K, Noguchi, N, Yohda, M, Odaka, M. | Deposit date: | 2014-12-03 | Release date: | 2016-01-27 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Time-Resolved Crystallography of the Reaction Intermediate of Nitrile Hydratase: Revealing a Role for the Cysteinesulfenic Acid Ligand as a Catalytic Nucleophile. Angew.Chem.Int.Ed.Engl., 54, 2015
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3X25
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![BU of 3x25 by Molmil](/molmil-images/mine/3x25) | Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile, photo-activated for 700 min | Descriptor: | 2,2-dimethylpropanenitrile, CHLORIDE ION, FE (III) ION, ... | Authors: | Yamanaka, Y, Hashimoto, K, Noguchi, K, Yohda, M, Odaka, M. | Deposit date: | 2014-12-10 | Release date: | 2016-01-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Time-Resolved Crystallography of the Reaction Intermediate of Nitrile Hydratase: Revealing a Role for the Cysteinesulfenic Acid Ligand as a Catalytic Nucleophile. Angew.Chem.Int.Ed.Engl., 54, 2015
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3X24
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![BU of 3x24 by Molmil](/molmil-images/mine/3x24) | Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile, photo-activated for 120 min | Descriptor: | 2,2-dimethylpropanenitrile, FE (III) ION, MAGNESIUM ION, ... | Authors: | Yamanaka, Y, Hashimoto, K, Noguchi, K, Yohda, M, Odaka, M. | Deposit date: | 2014-12-10 | Release date: | 2016-01-27 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Time-Resolved Crystallography of the Reaction Intermediate of Nitrile Hydratase: Revealing a Role for the Cysteinesulfenic Acid Ligand as a Catalytic Nucleophile. Angew.Chem.Int.Ed.Engl., 54, 2015
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2ZPB
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![BU of 2zpb by Molmil](/molmil-images/mine/2zpb) | nitrosylated Fe-type nitrile hydratase | Descriptor: | FE (III) ION, MAGNESIUM ION, NITRIC OXIDE, ... | Authors: | Hashimoto, K, Suzuki, H, Taniguchi, K, Noguchi, T, Yohda, M, Odaka, M. | Deposit date: | 2008-07-09 | Release date: | 2008-10-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Catalytic mechanism of nitrile hydratase proposed by time-resolved X-ray crystallography using a novel substrate, tert-butylisonitrile J.Biol.Chem., 283, 2008
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2QDY
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![BU of 2qdy by Molmil](/molmil-images/mine/2qdy) | Crystal Structure of Fe-type NHase from Rhodococcus erythropolis AJ270 | Descriptor: | 2-METHYLPROPAN-1-AMINE, CHLORIDE ION, FE (III) ION, ... | Authors: | Song, L, Shi, J, Xue, Z, Wang, M.-X, Qian, S. | Deposit date: | 2007-06-22 | Release date: | 2008-05-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High resolution X-ray molecular structure of the nitrile hydratase from Rhodococcus erythropolis AJ270 reveals posttranslational oxidation of two cysteines into sulfinic acids and a novel biocatalytic nitrile hydration mechanism Biochem.Biophys.Res.Commun., 362, 2007
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3A8M
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![BU of 3a8m by Molmil](/molmil-images/mine/3a8m) | Crystal structure of Nitrile Hydratase mutant Y72F complexed with Trimethylacetonitrile | Descriptor: | 2,2-dimethylpropanenitrile, FE (III) ION, MAGNESIUM ION, ... | Authors: | Yamanaka, Y, Hashimoto, K, Ohtaki, A, Noguchi, K, Yohda, M, Odaka, M. | Deposit date: | 2009-10-06 | Release date: | 2010-04-14 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Kinetic and structural studies on roles of the serine ligand and a strictly conserved tyrosine residue in nitrile hydratase J.Biol.Inorg.Chem., 15, 2010
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3X26
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![BU of 3x26 by Molmil](/molmil-images/mine/3x26) | Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile, photo-activated for 5 min | Descriptor: | 2,2-dimethylpropanenitrile, CHLORIDE ION, FE (III) ION, ... | Authors: | Yamanaka, Y, Hashimoto, K, Noguchi, K, Yohda, M, Odaka, M. | Deposit date: | 2014-12-10 | Release date: | 2016-01-27 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Time-Resolved Crystallography of the Reaction Intermediate of Nitrile Hydratase: Revealing a Role for the Cysteinesulfenic Acid Ligand as a Catalytic Nucleophile. Angew.Chem.Int.Ed.Engl., 54, 2015
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2CZ1
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![BU of 2cz1 by Molmil](/molmil-images/mine/2cz1) | photo-activation state of Fe-type NHase with n-BA in anaerobic condition | Descriptor: | BUTANOIC ACID, FE (III) ION, MAGNESIUM ION, ... | Authors: | Kawano, Y, Hashimoto, K, Odaka, M, Nakayama, H, Takio, K, Endo, I, Kamiya, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-07-09 | Release date: | 2006-01-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | photo-activation state of Fe-type NHase with n-BA in anaerobic condition To be Published
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2ZPG
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![BU of 2zpg by Molmil](/molmil-images/mine/2zpg) | Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for 120min at 293K | Descriptor: | FE (III) ION, MAGNESIUM ION, Nitrile hydratase subunit alpha, ... | Authors: | Hashimoto, K, Suzuki, H, Taniguchi, K, Noguchi, T, Yohda, M, Odaka, M. | Deposit date: | 2008-07-11 | Release date: | 2008-10-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Catalytic mechanism of nitrile hydratase proposed by time-resolved X-ray crystallography using a novel substrate, tert-butylisonitrile J.Biol.Chem., 283, 2008
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2ZCF
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![BU of 2zcf by Molmil](/molmil-images/mine/2zcf) | Mutational study on Alpha-Gln90 of Fe-type nitrile hydratase from Rhodococcus sp. N771 | Descriptor: | FE (III) ION, MAGNESIUM ION, Nitrile hydratase subunit alpha, ... | Authors: | Takarada, H, Kawano, Y, Hashimoto, K, Nakayama, H, Ueda, S, Yohda, M, Kamiya, N, Dohmae, N, Maeda, M, Odaka, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-11-08 | Release date: | 2007-11-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Mutational study on alphaGln90 of Fe-type nitrile hydratase from Rhodococcus sp. N771 Biosci.Biotechnol.Biochem., 70, 2006
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3A8O
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![BU of 3a8o by Molmil](/molmil-images/mine/3a8o) | Crystal structure of Nitrile Hydratase complexed with Trimethylacetamide | Descriptor: | 2,2-dimethylpropanamide, FE (III) ION, Nitrile hydratase subunit alpha, ... | Authors: | Yamanaka, Y, Hashimoto, K, Ohtaki, A, Noguchi, K, Yohda, M, Odaka, M. | Deposit date: | 2009-10-07 | Release date: | 2010-04-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Kinetic and structural studies on roles of the serine ligand and a strictly conserved tyrosine residue in nitrile hydratase J.Biol.Inorg.Chem., 15, 2010
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2ZPE
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![BU of 2zpe by Molmil](/molmil-images/mine/2zpe) | nitrosylated Fe-type nitrile hydratase with tert-butylisonitrile | Descriptor: | FE (III) ION, MAGNESIUM ION, NITRIC OXIDE, ... | Authors: | Hashimoto, K, Suzuki, H, Taniguchi, K, Noguchi, T, Yohda, M, Odaka, M. | Deposit date: | 2008-07-10 | Release date: | 2008-10-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Catalytic mechanism of nitrile hydratase proposed by time-resolved X-ray crystallography using a novel substrate, tert-butylisonitrile J.Biol.Chem., 283, 2008
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2ZPF
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![BU of 2zpf by Molmil](/molmil-images/mine/2zpf) | Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for 18min at 293K | Descriptor: | FE (III) ION, MAGNESIUM ION, NITRIC OXIDE, ... | Authors: | Hashimoto, K, Suzuki, H, Taniguchi, K, Noguchi, T, Yohda, M, Odaka, M. | Deposit date: | 2008-07-11 | Release date: | 2008-10-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.482 Å) | Cite: | Catalytic mechanism of nitrile hydratase proposed by time-resolved X-ray crystallography using a novel substrate, tert-butylisonitrile J.Biol.Chem., 283, 2008
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2ZPI
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![BU of 2zpi by Molmil](/molmil-images/mine/2zpi) | Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for 440min at 293K | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (III) ION, MAGNESIUM ION, ... | Authors: | Hashimoto, K, Suzuki, H, Taniguchi, K, Noguchi, T, Yohda, M, Odaka, M. | Deposit date: | 2008-07-11 | Release date: | 2008-10-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.491 Å) | Cite: | Catalytic mechanism of nitrile hydratase proposed by time-resolved X-ray crystallography using a novel substrate, tert-butylisonitrile J.Biol.Chem., 283, 2008
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2CZ0
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![BU of 2cz0 by Molmil](/molmil-images/mine/2cz0) | photo-activation state of Fe-type NHase in aerobic condition | Descriptor: | BUTANOIC ACID, FE (III) ION, Nitrile hydratase subunit alpha, ... | Authors: | Kawano, Y, Hashimoto, K, Odaka, M, Nakayama, H, Takio, K, Endo, I, Kamiya, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-07-09 | Release date: | 2006-01-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | photo-activation state of Fe-type NHase in aerobic condition To be Published
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2CZ6
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![BU of 2cz6 by Molmil](/molmil-images/mine/2cz6) | Complex of Inactive Fe-type NHase with Cyclohexyl isocyanide | Descriptor: | CYCLOHEXYL ISOCYANIDE, FE (III) ION, MAGNESIUM ION, ... | Authors: | Nojiri, M, Kawano, Y, Hashimoto, K, Kamiya, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-07-11 | Release date: | 2006-01-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | x-ray snap shots of inhibitor binding process in photo-reactive nitrile hydratase To be Published
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2CYZ
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![BU of 2cyz by Molmil](/molmil-images/mine/2cyz) | photo-activation state of Fe-type NHase in anaerobic condition | Descriptor: | FE (III) ION, MAGNESIUM ION, Nitrile hydratase subunit alpha, ... | Authors: | Kawano, Y, Hashimoto, K, Odaka, M, Nakayama, H, Takio, K, Endo, I, Kamiya, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-07-09 | Release date: | 2006-01-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | photo-activation state of Fe-type NHase in anaerobic condition To be Published
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3WVE
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![BU of 3wve by Molmil](/molmil-images/mine/3wve) | Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile, before photo-activation | Descriptor: | 2,2-dimethylpropanenitrile, CHLORIDE ION, FE (III) ION, ... | Authors: | Yamanaka, Y, Hashimoto, K, Noguchi, K, Yohda, M, Odaka, M. | Deposit date: | 2014-05-17 | Release date: | 2015-06-17 | Last modified: | 2015-11-04 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Time-Resolved Crystallography of the Reaction Intermediate of Nitrile Hydratase: Revealing a Role for the Cysteinesulfenic Acid Ligand as a Catalytic Nucleophile. Angew.Chem.Int.Ed.Engl., 54, 2015
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2ZPH
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![BU of 2zph by Molmil](/molmil-images/mine/2zph) | Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for 340min at 293K | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (III) ION, MAGNESIUM ION, ... | Authors: | Hashimoto, K, Suzuki, H, Taniguchi, K, Noguchi, T, Yohda, M, Odaka, M. | Deposit date: | 2008-07-11 | Release date: | 2008-10-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Catalytic mechanism of nitrile hydratase proposed by time-resolved X-ray crystallography using a novel substrate, tert-butylisonitrile J.Biol.Chem., 283, 2008
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3A8L
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![BU of 3a8l by Molmil](/molmil-images/mine/3a8l) | Crystal structure of photo-activation state of Nitrile Hydratase mutant S113A | Descriptor: | FE (III) ION, Nitrile hydratase subunit alpha, Nitrile hydratase subunit beta | Authors: | Yamanaka, Y, Hashimoto, K, Ohtaki, A, Noguchi, K, Yohda, M, Odaka, M. | Deposit date: | 2009-10-06 | Release date: | 2010-04-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Kinetic and structural studies on roles of the serine ligand and a strictly conserved tyrosine residue in nitrile hydratase J.Biol.Inorg.Chem., 15, 2010
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2D0Q
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![BU of 2d0q by Molmil](/molmil-images/mine/2d0q) | Complex of Fe-type NHase with Cyclohexyl isocyanide, photo-activated for 1hr at 277K | Descriptor: | CYCLOHEXYL ISOCYANIDE, FE (III) ION, MAGNESIUM ION, ... | Authors: | Nojiri, M, Kawano, Y, Hashimoto, K, Kamiya, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-08-05 | Release date: | 2006-02-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | X-ray snap shots of Inhibitor Binding Process in Photo-reactive Nitrile Hydratase To be Published
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3X28
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![BU of 3x28 by Molmil](/molmil-images/mine/3x28) | Crystal structure of Nitrile Hydratase mutant bR56K | Descriptor: | CHLORIDE ION, FE (III) ION, MAGNESIUM ION, ... | Authors: | Yamanaka, Y, Hashimoto, K, Noguchi, K, Yohda, M, Odaka, M. | Deposit date: | 2014-12-12 | Release date: | 2015-12-23 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Reaction intermediate of nitrile hydratase determined by time-resolved crystallography reveals the cysteine-sulfenic acid ligand to be a catalytic nucleophile To be Published
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3A8H
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![BU of 3a8h by Molmil](/molmil-images/mine/3a8h) | Crystal structure of Nitrile Hydratase mutant S113A complexed with Trimethylacetamide | Descriptor: | 2,2-dimethylpropanamide, FE (III) ION, Nitrile hydratase subunit alpha, ... | Authors: | Yamanaka, Y, Hashimoto, K, Ohtaki, A, Noguchi, K, Yohda, M, Odaka, M. | Deposit date: | 2009-10-06 | Release date: | 2010-04-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Kinetic and structural studies on roles of the serine ligand and a strictly conserved tyrosine residue in nitrile hydratase J.Biol.Inorg.Chem., 15, 2010
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