7RY2
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![BU of 7ry2 by Molmil](/molmil-images/mine/7ry2) | mSandy2 | Descriptor: | mSandy2 | Authors: | Chica, R.A, Legault, S, Thompson, M.C. | Deposit date: | 2021-08-24 | Release date: | 2022-01-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Generation of bright monomeric red fluorescent proteins via computational design of enhanced chromophore packing. Chem Sci, 13, 2022
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3NEZ
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![BU of 3nez by Molmil](/molmil-images/mine/3nez) | mRojoA | Descriptor: | mRojoA | Authors: | Mayo, S.L, Chica, R.A, Moore, M.M. | Deposit date: | 2010-06-09 | Release date: | 2010-10-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Generation of longer emission wavelength red fluorescent proteins using computationally designed libraries. Proc.Natl.Acad.Sci.USA, 107, 2010
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3NED
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![BU of 3ned by Molmil](/molmil-images/mine/3ned) | mRouge | Descriptor: | ACETATE ION, PAmCherry1 protein, SODIUM ION | Authors: | Mayo, S.L, Chica, R.A, Moore, M.M. | Deposit date: | 2010-06-08 | Release date: | 2010-11-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Generation of longer emission wavelength red fluorescent proteins using computationally designed libraries. Proc. Natl. Acad. Sci. U.S.A., 107, 2010
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8E9N
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![BU of 8e9n by Molmil](/molmil-images/mine/8e9n) | Crystal structure of E. coli aspartate aminotransferase mutant VFIY in the ligand-free form at 278 K | Descriptor: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | Deposit date: | 2022-08-26 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9L
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![BU of 8e9l by Molmil](/molmil-images/mine/8e9l) | Crystal structure of E. coli aspartate aminotransferase mutant VFIT in the ligand-free form at 278 K | Descriptor: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | Deposit date: | 2022-08-26 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9M
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![BU of 8e9m by Molmil](/molmil-images/mine/8e9m) | Crystal structure of E. coli aspartate aminotransferase mutant VFIT bound to maleic acid at 278 K | Descriptor: | Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | Deposit date: | 2022-08-26 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9R
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![BU of 8e9r by Molmil](/molmil-images/mine/8e9r) | Crystal structure of E. coli aspartate aminotransferase mutant VFCS in the ligand-free form at 278 K | Descriptor: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | Deposit date: | 2022-08-26 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9K
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![BU of 8e9k by Molmil](/molmil-images/mine/8e9k) | Crystal structure of wild-type E. coli aspartate aminotransferase bound to maleate at 278 K | Descriptor: | Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | Deposit date: | 2022-08-26 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9Q
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![BU of 8e9q by Molmil](/molmil-images/mine/8e9q) | Crystal structure of E. coli aspartate aminotransferase mutant HEX bound to maleic acid at 278 K | Descriptor: | Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | Deposit date: | 2022-08-26 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9O
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![BU of 8e9o by Molmil](/molmil-images/mine/8e9o) | Crystal structure of E. coli aspartate aminotransferase mutant VFIY bound to maleic acid at 278 K | Descriptor: | Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | Deposit date: | 2022-08-26 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9T
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![BU of 8e9t by Molmil](/molmil-images/mine/8e9t) | Crystal structure of wild-type E. coli aspartate aminotransferase in the ligand-free form at 303 K | Descriptor: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | Deposit date: | 2022-08-26 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9S
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![BU of 8e9s by Molmil](/molmil-images/mine/8e9s) | Crystal structure of E. coli aspartate aminotransferase mutant VFCS bound to maleic acid at 278 K | Descriptor: | Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | Deposit date: | 2022-08-26 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9V
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![BU of 8e9v by Molmil](/molmil-images/mine/8e9v) | Crystal structure of E. coli aspartate aminotransferase mutant VFIT in the ligand-free form at 303 K | Descriptor: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | Deposit date: | 2022-08-26 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9J
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![BU of 8e9j by Molmil](/molmil-images/mine/8e9j) | Crystal structure of E. coli aspartate aminotransferase mutant HEX in the ligand-free form at 278 K | Descriptor: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9P
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![BU of 8e9p by Molmil](/molmil-images/mine/8e9p) | Crystal structure of wild-type E. coli aspartate aminotransferase in the ligand-free form at 278 K | Descriptor: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9D
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![BU of 8e9d by Molmil](/molmil-images/mine/8e9d) | Crystal structure of E. coli aspartate aminotransferase mutant AIFS bound to maleic acid at 100 K | Descriptor: | Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9C
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![BU of 8e9c by Molmil](/molmil-images/mine/8e9c) | Crystal structure of E. coli aspartate aminotransferase mutant AIFS in the ligand-free form at 100 K | Descriptor: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9U
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![BU of 8e9u by Molmil](/molmil-images/mine/8e9u) | Crystal structure of E. coli aspartate aminotransferase mutant HEX in the ligand-free form at 303 K | Descriptor: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | Deposit date: | 2022-08-26 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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4H3N
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![BU of 4h3n by Molmil](/molmil-images/mine/4h3n) | mPlumAYC | Descriptor: | CHLORIDE ION, Fluorescent protein plum | Authors: | Moore, M.M, Chica, R.A. | Deposit date: | 2012-09-14 | Release date: | 2012-10-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Recovery of Red Fluorescent Protein Chromophore Maturation Deficiency through Rational Design. Plos One, 7, 2012
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4H3L
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![BU of 4h3l by Molmil](/molmil-images/mine/4h3l) | mPlum-E16P | Descriptor: | Fluorescent protein plum, SODIUM ION | Authors: | Moore, M.M, Chica, R.A. | Deposit date: | 2012-09-14 | Release date: | 2012-10-31 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Recovery of Red Fluorescent Protein Chromophore Maturation Deficiency through Rational Design. Plos One, 7, 2012
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4H3M
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![BU of 4h3m by Molmil](/molmil-images/mine/4h3m) | mPlumAYC-E16A | Descriptor: | Fluorescent protein plum | Authors: | Moore, M.M, Chica, R.A. | Deposit date: | 2012-09-14 | Release date: | 2012-10-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Recovery of Red Fluorescent Protein Chromophore Maturation Deficiency through Rational Design. Plos One, 7, 2012
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5RG8
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![BU of 5rg8 by Molmil](/molmil-images/mine/5rg8) | Crystal Structure of Kemp Eliminase HG3.17 in unbound state, 277K | Descriptor: | ACETATE ION, Kemp Eliminase HG3 | Authors: | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
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5RG5
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![BU of 5rg5 by Molmil](/molmil-images/mine/5rg5) | Crystal Structure of Kemp Eliminase HG3.3b in unbound state, 277K | Descriptor: | ACETATE ION, Kemp Eliminase HG3, SULFATE ION | Authors: | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-22 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
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5RGB
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![BU of 5rgb by Molmil](/molmil-images/mine/5rgb) | Crystal Structure of Kemp Eliminase HG3.3b with bound transition state analogue, 277K | Descriptor: | 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.3b, SULFATE ION | Authors: | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-22 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
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5RG6
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![BU of 5rg6 by Molmil](/molmil-images/mine/5rg6) | Crystal Structure of Kemp Eliminase HG3.7 in unbound state, 277K | Descriptor: | Kemp Eliminase HG3, SULFATE ION | Authors: | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
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