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6NI4
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BU of 6ni4 by Molmil
Pseudomonas fluorescens isocyanide hydratase at 277 K G150T mutant
Descriptor: Isonitrile hydratase InhA
Authors:Wilson, M.A, Dasgupta, M, van den Bedem, H.
Deposit date:2018-12-26
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6NI8
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BU of 6ni8 by Molmil
Pseudomonas fluorescens isocyanide hydratase rotating anode 298K
Descriptor: Isonitrile hydratase InhA
Authors:Wilson, M.A, Dasgupta, M, van den Bedem, H.
Deposit date:2018-12-26
Release date:2020-01-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Cysteine modification can gate non-equilibrium conformational dynamics during enzyme catalysis
Biorxiv, 2019
1SOA
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BU of 1soa by Molmil
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:2024-10-30
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
5SY4
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BU of 5sy4 by Molmil
Atomic resolution structure of reduced E. coli YajL
Descriptor: Chaperone YajL, MAGNESIUM ION
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 (0.98 Å)
Cite:Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons.
Biochemistry, 56, 2017
5SY9
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BU of 5sy9 by Molmil
Atomic resolution structure of E15Q mutant human DJ-1
Descriptor: 1,2-ETHANEDIOL, Protein deglycase DJ-1
Authors:Wilson, M.A, Lin, J.
Deposit date:2016-08-10
Release date:2016-12-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons.
Biochemistry, 56, 2017
5SYA
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BU of 5sya by Molmil
Atomic resolution structure of D24N mutant human DJ-1
Descriptor: 1,2-ETHANEDIOL, Protein deglycase DJ-1
Authors:Wilson, M.A, Lin, J.
Deposit date:2016-08-10
Release date:2016-12-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons.
Biochemistry, 56, 2017
5SY6
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BU of 5sy6 by Molmil
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:2024-11-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons.
Biochemistry, 56, 2017
4PSY
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BU of 4psy by Molmil
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:2024-11-27
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
4QYT
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BU of 4qyt by Molmil
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:2024-11-06
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
4RGC
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BU of 4rgc by Molmil
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:2024-11-27
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
4S0Z
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BU of 4s0z by Molmil
Crystal structure of M26V human DJ-1
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Protein DJ-1
Authors:Milkovic, N.M, Wilson, M.A.
Deposit date:2015-01-07
Release date:2015-08-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Transient sampling of aggregation-prone conformations causes pathogenic instability of a parkinsonian mutant of DJ-1 at physiological temperature.
Protein Sci., 24, 2015
4XLL
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BU of 4xll by Molmil
Toxoplasma gondii DJ-1, oxidized
Descriptor: DJ-1 family protein
Authors:Child, M.A, Wilson, M.A, Reese, M.L, Bogyo, M.
Deposit date:2015-01-13
Release date:2015-02-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Toxoplasma DJ-1 regulates microneme exocytosis through an association with the plant-like kinase, CDPK1
To Be Published
6UND
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BU of 6und by Molmil
Pseudomonas fluorescens isocyanide hydratase thioimidate intermediate at 298 K XFEL data
Descriptor: Isonitrile hydratase InhA, N-(4-nitrophenyl)methanimine
Authors:Dasgupta, M, van den Bedem, H, Wilson, M.A.
Deposit date:2019-10-11
Release date:2019-11-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6UNF
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BU of 6unf by Molmil
Pseudomonas fluorescens isocyanide hydratase post-catalysis at 298 K XFEL data
Descriptor: Isonitrile hydratase InhA
Authors:Dasgupta, M, van den Bedem, H, Wilson, M.A.
Deposit date:2019-10-11
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
5E1N
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BU of 5e1n by Molmil
Selenomethionine Ca2+-Calmodulin from Paramecium tetraurelia qFit disorder model
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Calmodulin
Authors:Lin, J, van den Bedem, H, Brunger, A.T, Wilson, M.A.
Deposit date:2015-09-29
Release date:2015-11-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1 Å)
Cite:Atomic resolution experimental phase information reveals extensive disorder and bound 2-methyl-2,4-pentanediol in Ca(2+)-calmodulin.
Acta Crystallogr D Struct Biol, 72, 2016
5E1K
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BU of 5e1k by Molmil
Selenomethionine Ca2+-Calmodulin from Paramecium tetraurelia SAD data
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Calmodulin
Authors:Lin, J, van den Bedem, H, Brunger, A.T, Wilson, M.A.
Deposit date:2015-09-29
Release date:2015-11-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1 Å)
Cite:Atomic resolution experimental phase information reveals extensive disorder and bound 2-methyl-2,4-pentanediol in Ca(2+)-calmodulin.
Acta Crystallogr D Struct Biol, 72, 2016
5E1P
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BU of 5e1p by Molmil
Ca(2+)-Calmodulin from Paramecium tetraurelia qFit disorder model
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Calmodulin
Authors:Lin, J, van den Bedem, H, Brunger, A.T, Wilson, M.A.
Deposit date:2015-09-29
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Atomic resolution experimental phase information reveals extensive disorder and bound 2-methyl-2,4-pentanediol in Ca(2+)-calmodulin.
Acta Crystallogr D Struct Biol, 72, 2016
3B3A
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BU of 3b3a by Molmil
Structure of E163K/R145E DJ-1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Protein DJ-1
Authors:Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A.
Deposit date:2007-10-19
Release date:2008-01-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
3B38
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BU of 3b38 by Molmil
Structure of A104V DJ-1
Descriptor: 1,2-ETHANEDIOL, Protein DJ-1
Authors:Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A.
Deposit date:2007-10-19
Release date:2008-01-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
3B36
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BU of 3b36 by Molmil
Structure of M26L DJ-1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Protein DJ-1
Authors:Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A.
Deposit date:2007-10-19
Release date:2008-01-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
4K00
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BU of 4k00 by Molmil
Crystal structure of Slr0204, a 1,4-dihydroxy-2-naphthoyl-CoA thioesterase from Synechocystis
Descriptor: 1,2-ETHANEDIOL, 1,4-dihydroxy-2-naphthoyl-CoA hydrolase
Authors:Furt, F, Allen, W.J, Widhalm, J.R, Madzelan, P, Rizzo, R.C, Basset, G, Wilson, M.A.
Deposit date:2013-04-03
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Functional convergence of structurally distinct thioesterases from cyanobacteria and plants involved in phylloquinone biosynthesis.
Acta Crystallogr.,Sect.D, 69, 2013
4K02
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BU of 4k02 by Molmil
Crystal structure of AtDHNAT1, a 1,4-dihydroxy-2-naphthoyl-CoA thioesterase from Arabidopsis thaliana
Descriptor: 1,4-dihydroxy-2-naphthoyl-CoA thioesterase
Authors:Furt, F, Allen, W.J, Widhalm, J.R, Madzelan, P, Rizzo, R.C, Basset, G, Wilson, M.A.
Deposit date:2013-04-03
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Functional convergence of structurally distinct thioesterases from cyanobacteria and plants involved in phylloquinone biosynthesis.
Acta Crystallogr.,Sect.D, 69, 2013
4LRU
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BU of 4lru by Molmil
Crystal structure of glyoxalase III (Orf 19.251) from Candida albicans
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Glyoxalase III (glutathione-independent)
Authors:Hasim, S, Hussin, N.A, Nickerson, K.W, Wilson, M.A.
Deposit date:2013-07-20
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Glutathione-independent Glyoxalase of the DJ-1 Superfamily Plays an Important Role in Managing Metabolically Generated Methylglyoxal in Candida albicans.
J.Biol.Chem., 289, 2014
2RGX
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BU of 2rgx by Molmil
Crystal Structure of Adenylate Kinase from Aquifex Aeolicus in complex with Ap5A
Descriptor: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ZINC ION
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:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Intrinsic motions along an enzymatic reaction trajectory.
Nature, 450, 2007
2RK4
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BU of 2rk4 by Molmil
Structure of M26I 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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