8UVZ
 
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8UW0
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1R7S
 | | PUTIDAREDOXIN (Fe2S2 ferredoxin), C73G mutant | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin | | Authors: | Smith, N, Mayhew, M, Kelly, H, Robinson, H, Heroux, A, Holden, M.J, Gallagher, D.T. | | Deposit date: | 2003-10-22 | | Release date: | 2004-04-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structure of C73G putidaredoxin from Pseudomonas putida.
Acta Crystallogr.,Sect.D, 60, 2004
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8VQ1
 | | Pseudomonas fluorescens G150T isocyanide hydratase at 298 K XFEL data, thioimidate intermediate | | Descriptor: | CHLORIDE ION, Isonitrile hydratase InhA, N-(4-nitrophenyl)methanimine | | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | | Deposit date: | 2024-01-17 | | Release date: | 2024-02-21 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
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8VPW
 | | Pseudomonas fluorescens G150T isocyanide hydratase at 298 K XFEL data, free enzyme | | Descriptor: | CHLORIDE ION, Isonitrile hydratase InhA | | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | | Deposit date: | 2024-01-17 | | Release date: | 2024-02-21 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
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9MXP
 | | Pseudomonas fluorescens isocyanide hydratase D17N mutant, pH=8.8 | | Descriptor: | CHLORIDE ION, Cyclohexyl-isocyanide hydratase, MAGNESIUM ION | | Authors: | Smith, N, Prososki, K, Wilson, M.A. | | Deposit date: | 2025-01-20 | | Release date: | 2025-10-29 | | Last modified: | 2025-11-05 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Combining Reactive Quantum-Mechanical Molecular-Dynamics Simulations with Mutagenesis, Crystallography, and Enzyme Kinetics to Reveal Plausible Steps of Isocyanide Hydratase Catalysis.
J.Chem.Inf.Model., 65, 2025
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9MXY
 | | Pseudomonas fluorescens isocyanide hydratase D17N mutant, pH=6.5 | | Descriptor: | CHLORIDE ION, Cyclohexyl-isocyanide hydratase | | Authors: | Smith, N, Prososki, K, Wilson, M.A. | | Deposit date: | 2025-01-21 | | Release date: | 2025-10-29 | | Last modified: | 2025-11-05 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Combining Reactive Quantum-Mechanical Molecular-Dynamics Simulations with Mutagenesis, Crystallography, and Enzyme Kinetics to Reveal Plausible Steps of Isocyanide Hydratase Catalysis.
J.Chem.Inf.Model., 65, 2025
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9MXN
 | | Pseudomonas fluorescens isocyanide hydratase, pH=6.5 | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Isonitrile hydratase InhA | | Authors: | Smith, N, Prososki, K, Wilson, M.A. | | Deposit date: | 2025-01-20 | | Release date: | 2025-10-29 | | Last modified: | 2025-11-05 | | Method: | X-RAY DIFFRACTION (0.89 Å) | | Cite: | Combining Reactive Quantum-Mechanical Molecular-Dynamics Simulations with Mutagenesis, Crystallography, and Enzyme Kinetics to Reveal Plausible Steps of Isocyanide Hydratase Catalysis.
J.Chem.Inf.Model., 65, 2025
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1XLR
 | | CHORISMATE LYASE WITH INHIBITOR VANILLATE | | Descriptor: | 4-HYDROXY-3-METHOXYBENZOATE, Chorismate--pyruvate lyase | | Authors: | Gallagher, D.T, Smith, N. | | Deposit date: | 2004-09-30 | | Release date: | 2004-11-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural analysis of ligand binding and catalysis in chorismate lyase.
Arch.Biochem.Biophys., 445, 2006
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8TSY
 | | Pseudomonas fluorescens G150T-2 isocyanide hydratase at 274 K | | Descriptor: | CHLORIDE ION, Isonitrile hydratase InhA | | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | | Deposit date: | 2023-08-12 | | Release date: | 2023-09-20 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
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8TT5
 | | Pseudomonas fluorescens isocyanide hydratase pH=8.3 | | Descriptor: | 1,2-ETHANEDIOL, Isonitrile hydratase InhA | | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | | Deposit date: | 2023-08-12 | | Release date: | 2023-09-20 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
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8TT2
 | | Pseudomonas fluorescens isocyanide hydratase pH=5.4 | | Descriptor: | 1,2-ETHANEDIOL, Isonitrile hydratase InhA | | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | | Deposit date: | 2023-08-12 | | Release date: | 2023-09-20 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
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8TSZ
 | | Pseudomonas fluorescens G150T-3 isocyanide hydratase at 274 K | | Descriptor: | CHLORIDE ION, Isonitrile hydratase InhA | | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | | Deposit date: | 2023-08-12 | | Release date: | 2023-09-20 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
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8TT4
 | | Pseudomonas fluorescens isocyanide hydratase pH=6.0 | | Descriptor: | 1,2-ETHANEDIOL, Isonitrile hydratase InhA | | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | | Deposit date: | 2023-08-12 | | Release date: | 2023-09-20 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
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8TT0
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8TT1
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8TSU
 | | Pseudomonas fluorescens G150T-1 isocyanide hydratase at 274 K | | Descriptor: | CHLORIDE ION, Isonitrile hydratase InhA | | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | | Deposit date: | 2023-08-11 | | Release date: | 2023-09-20 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
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8TSX
 | | Pseudomonas fluorescens G150T isocyanide hydratase at 100 K | | Descriptor: | CHLORIDE ION, Isonitrile hydratase InhA | | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | | Deposit date: | 2023-08-12 | | Release date: | 2023-09-20 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
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1JD3
 | | Chorismate lyase G90A mutant with bound product | | Descriptor: | P-HYDROXYBENZOIC ACID, chorismate lyase | | Authors: | Mayhew, M, Smith, N, Holden, M.J, Gallagher, D.T. | | Deposit date: | 2001-06-12 | | Release date: | 2001-06-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structural analysis of ligand binding and catalysis in chorismate lyase.
Arch.Biochem.Biophys., 445, 2006
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4UX6
 | | The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS) | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, INDUCIBLE, ... | | Authors: | Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V. | | Deposit date: | 2014-08-19 | | Release date: | 2014-10-08 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
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9CGD
 | | Human DJ-1, 10 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography, CrystFEL processed | | Descriptor: | Parkinson disease protein 7 | | Authors: | Zielinski, K, Dolamore, C, Dalton, K, Meisburger, S, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A. | | Deposit date: | 2024-06-28 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
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9CFI
 | | Human DJ-1, 3 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography | | Descriptor: | 1-hydroxypropan-2-one, Protein deglycase DJ-1 | | Authors: | Zielinski, K.A, Dolamore, C, Dalton, K, Meisburger, S.P, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A. | | Deposit date: | 2024-06-27 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
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9CFO
 | | Human DJ-1, 10 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography | | Descriptor: | Parkinson disease protein 7 | | Authors: | Zielinski, K, Dolamore, C, Dalton, K, Meisburger, S.P, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A. | | Deposit date: | 2024-06-27 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
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9CGE
 | | Human DJ-1, 15 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography, CrystFEL processed | | Descriptor: | Parkinson disease protein 7 | | Authors: | Zielinski, K, Dolamore, C, Dalton, K, Meisburger, S, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A. | | Deposit date: | 2024-06-28 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
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9CG0
 | | Human DJ-1, 30 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography | | Descriptor: | Parkinson disease protein 7 | | Authors: | Zielinski, K.A, Dolamore, C, Dalton, K, Meisburger, S.P, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A. | | Deposit date: | 2024-06-28 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
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