4WOR
 
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1GGX
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1CM4
 | | 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: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Motions of calmodulin characterized using both Bragg and diffuse X-ray scattering.
Structure, 5, 1997
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1CM1
 | | 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: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Motions of calmodulin characterized using both Bragg and diffuse X-ray scattering.
Structure, 5, 1997
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1GG2
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1GP2
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1BH2
 | | A326S MUTANT OF AN INHIBITORY ALPHA SUBUNIT | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GUANINE NUCLEOTIDE-BINDING PROTEIN, MAGNESIUM ION | | Authors: | Mixon, M.B, Posner, B.A, Wall, M.A, Gilman, A.G, Sprang, S.R. | | Deposit date: | 1998-06-12 | | Release date: | 1998-11-04 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The A326S mutant of Gialpha1 as an approximation of the receptor-bound state.
J.Biol.Chem., 273, 1998
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7UJX
 | | 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: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular-dynamics simulation methods for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
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7V0G
 | | 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: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Molecular-dynamics simulation methods for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
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1EHS
 | | THE STRUCTURE OF ESCHERICHIA COLI HEAT-STABLE ENTEROTOXIN B BY NUCLEAR MAGNETIC RESONANCE AND CIRCULAR DICHROISM | | Descriptor: | HEAT-STABLE ENTEROTOXIN B | | Authors: | Sukumar, M, Rizo, J, Wall, M, Dreyfus, L.A, Kupersztoch, Y.M, Gierasch, L.M. | | Deposit date: | 1995-06-13 | | Release date: | 1995-09-15 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | The structure of Escherichia coli heat-stable enterotoxin b by nuclear magnetic resonance and circular dichroism.
Protein Sci., 4, 1995
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7L9S
 | | 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
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7L9W
 | | 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
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7LA0
 | | 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
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7L9Q
 | | 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
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7L9Z
 | | 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
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7LA3
 | | 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
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7LAV
 | | 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
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7LAX
 | | 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
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7LB9
 | | 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
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7LBI
 | | 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
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7LBH
 | | 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
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2QKU
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4CBT
 | | Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease | | Descriptor: | (1R,2R,3R)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, ZINC ION | | Authors: | Burli, R.W, Luckhurst, C.A, Aziz, O, Matthews, K.L, Yates, D, Lyons, K.A, Beconi, M, McAllister, G, Breccia, P, Stott, A.J, Penrose, S.D, Wall, M, Lamers, M, Leonard, P, Mueller, I, Richardson, C.M, Jarvis, R, Stones, L, Hughes, S, Wishart, G, Haughan, A.F, O'Connell, C, Mead, T, McNeil, H, Vann, J, Mangette, J, Maillard, M, Beaumont, V, Munoz-Sanjuan, I, Dominguez, C. | | Deposit date: | 2013-10-16 | | Release date: | 2013-12-11 | | Last modified: | 2018-02-07 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease.
J. Med. Chem., 56, 2013
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4CBY
 | | Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease | | Descriptor: | (1R,2R,3R)-2-[4-(1,3-oxazol-5-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, SODIUM ION, ... | | Authors: | Burli, R.W, Luckhurst, C.A, Aziz, O, Matthews, K.L, Yates, D, Lyons, K.A, Beconi, M, McAllister, G, Breccia, P, Stott, A.J, Penrose, S.D, Wall, M, Lamers, M, Leonard, P, Mueller, I, Richardson, C.M, Jarvis, R, Stones, L, Hughes, S, Wishart, G, Haughan, A.F, O'Connell, C, Mead, T, McNeil, H, Vann, J, Mangette, J, Maillard, M, Beaumont, V, Munoz-Sanjuan, I, Dominguez, C. | | Deposit date: | 2013-10-17 | | Release date: | 2013-12-11 | | Last modified: | 2018-02-07 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease.
J. Med. Chem., 56, 2013
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2VUL
 | | Thermostable mutant of ENVIRONMENTALLY ISOLATED GH11 XYLANASE | | Descriptor: | DODECAETHYLENE GLYCOL, GH11 XYLANASE, SULFATE ION | | Authors: | Dumon, C, Varvak, A, Wall, M.A, Flint, J.E, Lewis, R.J, Lakey, J.H, Luginbuhl, P, Healey, S, Todaro, T, Desantis, G, Sun, M, Parra-Gessert, L, Tan, X, Weiner, D.P, Gilbert, H.J. | | Deposit date: | 2008-05-27 | | Release date: | 2008-06-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Engineering Hyperthermostability Into a Gh11 Xylanase is Mediated by Subtle Changes to Protein Structure.
J.Biol.Chem., 283, 2008
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