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8UVZ
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BU of 8uvz by Molmil
Bacillus subtilis DHFR bound to NADP+ and folate
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Smith, N, Horswill, A.R, Wilson, M.A.
Deposit date:2023-11-05
Release date:2023-11-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Bacillus subtilis DHFR bound to NADP+ and folate
To Be Published
8UW0
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BU of 8uw0 by Molmil
Escherichia coli DHFR bound to NADP+ and folate, 17.2 MGy dose
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Smith, N, Horswill, A.R, Wilson, M.A.
Deposit date:2023-11-05
Release date:2023-11-15
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:X-ray-driven chemistry and conformational heterogeneity in atomic resolution crystal structures of bacterial dihydrofolate reductases
To Be Published
1R7S
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BU of 1r7s by Molmil
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
8VQ1
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BU of 8vq1 by Molmil
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
8VPW
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BU of 8vpw by Molmil
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
1XLR
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BU of 1xlr by Molmil
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
8TSY
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BU of 8tsy by Molmil
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
8TT0
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BU of 8tt0 by Molmil
Pseudomonas fluorescens isocyanide hydratase pH=4.2
Descriptor: 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 (1.5 Å)
Cite:Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
8TT2
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BU of 8tt2 by Molmil
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
8TSZ
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BU of 8tsz by Molmil
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
8TT4
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BU of 8tt4 by Molmil
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
8TSU
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BU of 8tsu by Molmil
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
8TSX
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BU of 8tsx by Molmil
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
8TT5
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BU of 8tt5 by Molmil
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
8TT1
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BU of 8tt1 by Molmil
Pseudomonas fluorescens isocyanide hydratase pH=5.0
Descriptor: 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 (1.45 Å)
Cite:Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
1JD3
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BU of 1jd3 by Molmil
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
4UX6
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BU of 4ux6 by Molmil
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
2Y37
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BU of 2y37 by Molmil
The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
Descriptor: 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
Authors:Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T.N, 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:2010-12-19
Release date:2011-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
9CGD
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BU of 9cgd by Molmil
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
9CFI
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BU of 9cfi by Molmil
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
9CFO
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BU of 9cfo by Molmil
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
9CFY
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BU of 9cfy by Molmil
Human DJ-1, 15 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, T, 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
9CGE
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BU of 9cge by Molmil
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
9CGG
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BU of 9cgg by Molmil
Human DJ-1, 30 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 (2.01 Å)
Cite:Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
9CEI
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BU of 9cei by Molmil
Human DJ-1, no mixing, 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:2024-06-26
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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