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4WOR
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BU of 4wor by Molmil
Staphylococcal nuclease in complex with Ca2+ and thymidine-3'-5'-diphosphate (pdTp) at room temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Wall, M.E, Ealick, S.E, Gruner, S.M.
Deposit date:2014-10-16
Release date:2014-10-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.596 Å)
Cite:Three-dimensional diffuse x-ray scattering from crystals of Staphylococcal nuclease.
Proc. Natl. Acad. Sci. U.S.A., 1997
1CM1
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BU of 1cm1 by Molmil
MOTIONS OF CALMODULIN-SINGLE-CONFORMER REFINEMENT
Descriptor: CALCIUM ION, CALMODULIN, CALMODULIN-DEPENDENT PROTEIN KINASE II-ALPHA
Authors:Wall, M.E, Phillips Jr, G.N.
Deposit date:1997-09-23
Release date:1998-03-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Motions of calmodulin characterized using both Bragg and diffuse X-ray scattering.
Structure, 5, 1997
1CM4
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BU of 1cm4 by Molmil
Motions of calmodulin-four-conformer refinement
Descriptor: CALCIUM ION, CALMODULIN, CALMODULIN-DEPENDENT PROTEIN KINASE II-ALPHA
Authors:Wall, M.E, Phillips Jr, G.N.
Deposit date:1997-09-23
Release date:1998-03-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Motions of calmodulin characterized using both Bragg and diffuse X-ray scattering.
Structure, 5, 1997
7UJX
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BU of 7ujx by Molmil
Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 2.4 Angstrom data
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Wych, D.C, Aoto, P.C, Wall, M.E.
Deposit date:2022-03-31
Release date:2022-12-07
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular-dynamics simulation methods for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
7V0G
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BU of 7v0g by Molmil
Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 1.63 Angstrom data
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Wych, D.C, Aoto, P.C, Wall, M.E.
Deposit date:2022-05-10
Release date:2022-12-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Molecular-dynamics simulation methods for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
5F6M
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BU of 5f6m by Molmil
Isotropic Trypsin Model for Comparison of Diffuse Scattering
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Van Benschoten, A.H, Wall, M.E, Fraser, J.S.
Deposit date:2015-12-06
Release date:2016-01-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Measuring and modeling diffuse scattering in protein X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 113, 2016
7L9S
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BU of 7l9s by Molmil
Wild-type Pseudomonas fluorescens isocyanide hydratase (WT-2) at 274K, Refmac5-refined
Descriptor: Isonitrile hydratase InhA
Authors:Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A.
Deposit date:2021-01-04
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
7L9W
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BU of 7l9w by Molmil
Wild-type Pseudomonas fluorescens isocyanide hydratase (WT-3) at 274K, Refmac5-refined
Descriptor: Isonitrile hydratase InhA
Authors:Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A.
Deposit date:2021-01-05
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.199 Å)
Cite:Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
7LA0
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BU of 7la0 by Molmil
Pseudomonas fluorescens G150A isocyanide hydratase (G150A-2) at 274K, Refmac5-refined
Descriptor: Isonitrile hydratase InhA
Authors:Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A.
Deposit date:2021-01-05
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
7L9Q
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BU of 7l9q by Molmil
Wild-type Pseudomonas fluorescens isocyanide hydratase (WT-1) at 274K, Refmac5-refined
Descriptor: Isonitrile hydratase InhA
Authors:Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A.
Deposit date:2021-01-04
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.149 Å)
Cite:Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
7L9Z
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BU of 7l9z by Molmil
Pseudomonas fluorescens G150A isocyanide hydratase (G150A-1) at 274K, Refmac5-refined
Descriptor: Isonitrile hydratase InhA
Authors:Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A.
Deposit date:2021-01-05
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
7LA3
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BU of 7la3 by Molmil
Pseudomonas fluorescens G150A isocyanide hydratase (G150A-3) at 274K, Refmac5-refined
Descriptor: Isonitrile hydratase InhA
Authors:Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A.
Deposit date:2021-01-05
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.349 Å)
Cite:Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
7LAV
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BU of 7lav by Molmil
Pseudomonas fluorescens G150T isocyanide hydratase (G150T-1) at 274K, Refmac5-refined
Descriptor: Isonitrile hydratase InhA
Authors:Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A.
Deposit date:2021-01-06
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.149 Å)
Cite:Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
7LAX
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BU of 7lax by Molmil
Pseudomonas fluorescens G150T isocyanide hydratase (G150T-2) at 274K, Refmac5-refined
Descriptor: Isonitrile hydratase InhA
Authors:Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A.
Deposit date:2021-01-07
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.198 Å)
Cite:Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
7LB9
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BU of 7lb9 by Molmil
Pseudomonas fluorescens G150T isocyanide hydratase (G150T-3) at 274K, Refmac5-refined
Descriptor: Isonitrile hydratase InhA
Authors:Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A.
Deposit date:2021-01-07
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
7LBI
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BU of 7lbi by Molmil
Wild-type Pseudomonas fluorescens isocyanide hydratase (WT-2) at 274K, PHENIX-refined
Descriptor: Isonitrile hydratase InhA
Authors:Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A.
Deposit date:2021-01-08
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
7LBH
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BU of 7lbh by Molmil
Wild-type Pseudomonas fluorescens isocyanide hydratase (WT-1) at 274K, PHENIX-refined
Descriptor: Isonitrile hydratase InhA
Authors:Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A.
Deposit date:2021-01-08
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
5F66
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BU of 5f66 by Molmil
High-resolution isotropic multiconformer synchrotron model of CypA at 273 K
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Fraser, J.S.
Deposit date:2015-12-05
Release date:2015-12-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Measuring and modeling diffuse scattering in protein X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 113, 2016
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
6NI7
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BU of 6ni7 by Molmil
Pseudomonas fluorescens isocyanide hydratase at 277 K
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:2024-10-16
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6NPQ
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BU of 6npq by Molmil
Pseudomonas fluorescens isocyanide hydratase at 298 K XFEL data
Descriptor: Isonitrile hydratase InhA
Authors:Dasgupta, M, van den Bedem, H, Wilson, M.A.
Deposit date:2019-01-18
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
6NIA
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BU of 6nia by Molmil
Pseudomonas fluorescens isocyanide hydratase at 100 K helical disorder model
Descriptor: 1,2-ETHANEDIOL, 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:2024-10-16
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6NI9
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BU of 6ni9 by Molmil
Pseudomonas fluorescens isocyanide hydratase at 274 K qFit multiconformer model
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:2024-10-23
Method:X-RAY DIFFRACTION (1.201 Å)
Cite:Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6NI5
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BU of 6ni5 by Molmil
Pseudomonas fluorescens isocyanide hydratase at 274 K G150A 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:2024-10-23
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019

 

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