7QOM
 
 | | A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability | | Descriptor: | CHLORIDE ION, COBALT (II) ION, Nitrile hydratase, ... | | Authors: | Van Wyk, J.C, Cowan, D.A, Danson, M.J, Tsekoa, T.L, Sayed, M.F, Sewell, B.T. | | Deposit date: | 2022-03-17 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability
To be published
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3VYH
 | | Crystal structure of aW116R mutant of nitrile hydratase from Pseudonocardia thermophilla | | Descriptor: | COBALT (II) ION, Cobalt-containing nitrile hydratase subunit alpha, Cobalt-containing nitrile hydratase subunit beta | | Authors: | Yamanaka, Y, Sato, M, Arakawa, T, Namima, S, Hori, S, Ohtaki, A, Noguchi, K, Katayama, Y, Yohda, M, Odaka, M. | | Deposit date: | 2012-09-25 | | Release date: | 2013-11-13 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Effects of argnine residue around the substrate pocket on the substrate specificity of thiocyanate hydrolase
To be published
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3VYG
 | | Crystal structure of Thiocyanate hydrolase mutant R136W | | Descriptor: | COBALT (III) ION, L(+)-TARTARIC ACID, Thiocyanate hydrolase subunit alpha, ... | | Authors: | Yamanaka, Y, Sato, M, Arakawa, T, Namima, S, Hori, S, Ohtaki, A, Noguchi, K, Katayama, Y, Yohda, M, Odaka, M. | | Deposit date: | 2012-09-25 | | Release date: | 2013-11-13 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Effects of argnine residue around the substrate pocket on the substrate specificity of thiocyanate hydrolase
To be published
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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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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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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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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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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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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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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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2AHJ
 | | NITRILE HYDRATASE COMPLEXED WITH NITRIC OXIDE | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, FE (III) ION, NITRIC OXIDE, ... | | Authors: | Nagashima, S, Nakasako, M, Dohmae, N, Tsujimura, M, Takio, K, Odaka, M, Yohda, M, Kamiya, N, Endo, I. | | Deposit date: | 1997-12-24 | | Release date: | 1999-01-27 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Novel non-heme iron center of nitrile hydratase with a claw setting of oxygen atoms.
Nat.Struct.Biol., 5, 1998
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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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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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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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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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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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2CZ7
 | | Fe-type NHase photo-activated for 75min at 105K | | Descriptor: | FE (III) ION, MAGNESIUM ION, NITRIC OXIDE, ... | | 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 (1.8 Å) | | Cite: | Active Center Structures of Photo-reactive Nitrile Hydratase during its Photo-activation Process
To be Published
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2DPP
 | | Crystal structure of thermostable Bacillus sp. RAPc8 nitrile hydratase | | Descriptor: | COBALT (II) ION, Nitrile hydratase alpha subunit, Nitrile hydratase beta subunit | | Authors: | Tsekoa, T.L, Tastan-Bishop, A.O, Cameron, R.A, Sewell, B.T, Sayed, M.F, Cowan, D.A. | | Deposit date: | 2006-05-12 | | Release date: | 2007-05-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Crystal structure of thermostable Bacillus sp. RAPc8 nitrile hydratse
To be Published
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2DD4
 | | Thiocyanate hydrolase (SCNase) from Thiobacillus thioparus recombinant apo-enzyme | | Descriptor: | L(+)-TARTARIC ACID, Thiocyanate hydrolase alpha subunit, Thiocyanate hydrolase beta subunit, ... | | Authors: | Arakawa, T, Kawano, Y, Kataoka, S, Katayama, Y, Kamiya, N, Yohda, M, Odaka, M. | | Deposit date: | 2006-01-19 | | Release date: | 2007-01-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structure of thiocyanate hydrolase: a new nitrile hydratase family protein with a novel five-coordinate cobalt(III) center.
J.Mol.Biol., 366, 2007
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2DD5
 | | Thiocyanate hydrolase (SCNase) from Thiobacillus thioparus native holo-enzyme | | Descriptor: | COBALT (III) ION, SULFATE ION, Thiocyanate hydrolase alpha subunit, ... | | Authors: | Arakawa, T, Kawano, Y, Kataoka, S, Katayama, Y, Kamiya, N, Yohda, M, Odaka, M. | | Deposit date: | 2006-01-19 | | Release date: | 2007-01-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of thiocyanate hydrolase: a new nitrile hydratase family protein with a novel five-coordinate cobalt(III) center.
J.Mol.Biol., 366, 2007
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2DXB
 | | Recombinant thiocyanate hydrolase comprising partially-modified cobalt centers | | Descriptor: | COBALT (III) ION, PHOSPHATE ION, Thiocyanate hydrolase subunit alpha, ... | | Authors: | Arakawa, T, Kawano, Y, Katayama, Y, Yohda, M, Odaka, M. | | Deposit date: | 2006-08-25 | | Release date: | 2007-08-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural Basis for Catalytic Activation of Thiocyanate Hydrolase Involving Metal-Ligated Cysteine Modification
J.Am.Chem.Soc., 131, 2009
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2DXC
 | | Recombinant thiocyanate hydrolase, fully-matured form | | Descriptor: | COBALT (III) ION, L(+)-TARTARIC ACID, Thiocyanate hydrolase subunit alpha, ... | | Authors: | Arakawa, T, Kawano, Y, Katayama, Y, Yohda, M, Odaka, M. | | Deposit date: | 2006-08-25 | | Release date: | 2007-08-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for Catalytic Activation of Thiocyanate Hydrolase Involving Metal-Ligated Cysteine Modification
J.Am.Chem.Soc., 131, 2009
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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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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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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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