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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1SOA
 | | Human DJ-1 with sulfinic acid | | Descriptor: | RNA-binding protein regulatory subunit; oncogene DJ1 | | Authors: | Canet-Aviles, R, Wilson, M.A, Miller, D.W, Ahmad, R, McLendon, C, Bandyopadhyay, S, Baptista, M.J, Ringe, D, Petsko, G.A, Cookson, M.R. | | Deposit date: | 2004-03-13 | | Release date: | 2004-06-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The Parkinson's disease protein DJ-1 is neuroprotective due to cysteine-sulfinic acid-driven mitochondrial localization.
Proc.Natl.Acad.Sci.USA, 101, 2004
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4RGC
 | | 277K Crystal structure of Escherichia Coli dihydrofolate reductase | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | Authors: | Wilson, M.A, Wan, Q, Bennett, B.C, Dealwis, C. | | Deposit date: | 2014-09-29 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4QYT
 | | Schizosaccharomyces pombe DJ-1 | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Uncharacterized protein C22E12.03c | | Authors: | Wilson, M.A. | | Deposit date: | 2014-07-25 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Influence of peptide dipoles and hydrogen bonds on reactive cysteine pK(a) values in fission yeast DJ-1.
Febs J., 279, 2012
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4PSY
 | | 100K crystal structure of Escherichia coli dihydrofolate reductase | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | Authors: | Wilson, M.A, Wan, Q, Bennet, B.C, Dealwis, C, Ringe, D, Petsko, G.A. | | Deposit date: | 2014-03-08 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 22, 2014
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5SYA
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5SY6
 | | Atomic resolution structure of human DJ-1, DTT bound | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Protein deglycase DJ-1 | | Authors: | Wilson, M.A, Lin, J. | | Deposit date: | 2016-08-10 | | Release date: | 2016-12-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons.
Biochemistry, 56, 2017
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5SY4
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5SY9
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8F11
 | | T4 lysozyme with a 2,6-diazaadamantane nitroxide (DZD) spin label | | Descriptor: | 1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Wilson, M.A, Madzelan, P, Rajca, A, Stein, R, Yang, Z. | | Deposit date: | 2022-11-04 | | Release date: | 2023-02-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Cucurbit[7]uril Enhances Distance Measurements of Spin-Labeled Proteins.
J.Am.Chem.Soc., 145, 2023
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3CY6
 | | Crystal Structure of E18Q DJ-1 | | Descriptor: | Protein DJ-1 | | Authors: | Witt, A.C, Lakshminarasimhan, M, Remington, B.C, Hasim, S, Pozharski, E, Wilson, M.A. | | Deposit date: | 2008-04-25 | | Release date: | 2008-07-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Cysteine pKa depression by a protonated glutamic acid in human DJ-1.
Biochemistry, 47, 2008
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2RH5
 | | Structure of Apo Adenylate Kinase from Aquifex Aeolicus | | Descriptor: | Adenylate kinase | | Authors: | Thai, V, Wolf-Watz, M, Fenn, T, Pozharski, E, Wilson, M.A, Petsko, G.A, Kern, D. | | Deposit date: | 2007-10-05 | | Release date: | 2007-12-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Intrinsic motions along an enzymatic reaction trajectory.
Nature, 450, 2007
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2RK3
 | | Structure of A104T DJ-1 | | Descriptor: | Protein DJ-1 | | Authors: | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | | Deposit date: | 2007-10-16 | | Release date: | 2008-01-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
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2RK6
 | | Structure of E163K DJ-1 | | Descriptor: | Protein DJ-1 | | Authors: | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | | Deposit date: | 2007-10-16 | | Release date: | 2008-01-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
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5R42
 | | Crystal Structure of deuterated gamma-Chymotrypsin at pH 7.5, room temperature | | Descriptor: | IODIDE ION, gamma-Chymotrypsin, peptide SWPW, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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5R49
 | | Crystal Structure of gamma-Chymotrypsin at pH 5.6, cryo temperature | | Descriptor: | IODIDE ION, MALONATE ION, gamma-chymotrypsin, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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5R45
 | | Crystal Structure of gamma-Chymotrypsin at pH 7.5, cryo temperature | | Descriptor: | Chymotrypsinogen A, IODIDE ION, MALONATE ION, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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5R4C
 | | Crystal Structure of gamma-Chymotrypsin at pH 9, room temperature | | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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5R48
 | | Crystal Structure of gamma-Chymotrypsin at pH 5.6, room temperature | | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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5R4A
 | | Crystal Structure of deuterated gamma-Chymotrypsin at pH 9, room temperature | | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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5R44
 | | Crystal Structure of gamma-Chymotrypsin at pH 7.5, room temperature | | Descriptor: | Chymotrypsinogen A, IODIDE ION, peptide SWPW, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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5R46
 | | Crystal Structure of deuterated gamma-Chymotrypsin at pH 5.6, room temperature | | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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5R43
 | | Crystal Structure of deuterated gamma-Chymotrypsin at pH 7.5, cryo temperature | | Descriptor: | Chymotrypsinogen A, IODIDE ION, MALONIC ACID, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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5R4B
 | | Crystal Structure of deuterated gamma-Chymotrypsin at pH 9, cryo temperature | | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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5R4D
 | | Crystal Structure of gamma-Chymotrypsin at pH 9, cryo temperature | | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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