8CW5
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![BU of 8cw5 by Molmil](/molmil-images/mine/8cw5) | 200us Temperature-Jump (Light) XFEL structure of Lysozyme | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E. | Deposit date: | 2022-05-18 | Release date: | 2022-06-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography. Nat.Chem., 15, 2023
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8CWC
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![BU of 8cwc by Molmil](/molmil-images/mine/8cwc) | 20ns Temperature-Jump (Light) XFEL structure of Lysozyme Bound to N,N'-diacetylchitobiose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E. | Deposit date: | 2022-05-19 | Release date: | 2022-06-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography. Nat.Chem., 15, 2023
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4OLP
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![BU of 4olp by Molmil](/molmil-images/mine/4olp) | Ligand-free structure of the GrpU microcompartment shell protein from Pectobacterium wasabiae | Descriptor: | GrpU microcompartment shell protein | Authors: | Wheatley, N.M, Thompson, M.C, Gidaniyan, S.D, Sawaya, M.R, Jorda, J, Yeates, T.O. | Deposit date: | 2014-01-24 | Release date: | 2014-07-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Identification of a unique fe-s cluster binding site in a glycyl-radical type microcompartment shell protein. J.Mol.Biol., 426, 2014
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6UAD
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![BU of 6uad by Molmil](/molmil-images/mine/6uad) | Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38 | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Ketosteroid isomerase with truncated and designed loop, PHOSPHATE ION | Authors: | Kundert, K, Thompson, M.C, Liu, L, Fraser, J.S, Kortemme, T. | Deposit date: | 2019-09-10 | Release date: | 2020-09-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38 To Be Published
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4NB2
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![BU of 4nb2 by Molmil](/molmil-images/mine/4nb2) | Crystal Structure of FosB from Staphylococcus aureus at 1.89 Angstrom Resolution - Apo structure | Descriptor: | Metallothiol transferase FosB, SULFATE ION | Authors: | Cook, P.D, Thompson, M.K, Goodman, M.C, Jagessar, K, Harp, J, Keithly, M.E, Armstrong, R.N. | Deposit date: | 2013-10-22 | Release date: | 2014-02-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure and Function of the Genomically Encoded Fosfomycin Resistance Enzyme, FosB, from Staphylococcus aureus. Biochemistry, 53, 2014
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4Z44
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![BU of 4z44 by Molmil](/molmil-images/mine/4z44) | F454K Mutant of Tryptophan 7-halogenase PrnA | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase PrnA, ... | Authors: | Shepherd, S.A, Karthikeyan, C, Latham, J, Struck, A.-W, Thompson, M.L, Menon, B, Levy, C.W, Leys, D, Micklefield, J. | Deposit date: | 2015-04-01 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.204 Å) | Cite: | Extending the biocatalytic scope of regiocomplementary flavin-dependent halogenase enzymes. Chem Sci, 6, 2015
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5TOG
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![BU of 5tog by Molmil](/molmil-images/mine/5tog) | Room temperature structure of ubiquitin variant u7ub25.2540 | Descriptor: | Polyubiquitin-B, SULFATE ION | Authors: | Biel, J.T, Thompson, M.C, Cunningham, C.N, Corn, J.E, Fraser, J.S. | Deposit date: | 2016-10-17 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Flexibility and Design: Conformational Heterogeneity along the Evolutionary Trajectory of a Redesigned Ubiquitin. Structure, 25, 2017
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5TOF
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![BU of 5tof by Molmil](/molmil-images/mine/5tof) | Room temperature structure of ubiquitin variant u7ub25 | Descriptor: | Polyubiquitin-B, SULFATE ION | Authors: | Biel, J.T, Thompson, M.C, Cunningham, C.N, Corn, J.E, Fraser, J.S. | Deposit date: | 2016-10-17 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Flexibility and Design: Conformational Heterogeneity along the Evolutionary Trajectory of a Redesigned Ubiquitin. Structure, 25, 2017
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2ONX
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![BU of 2onx by Molmil](/molmil-images/mine/2onx) | NNQQ peptide corresponding to residues 8-11 of yeast prion sup35 (alternate crystal form) | Descriptor: | peptide corresponding to residues 8-11 of yeast prion sup35 | Authors: | Sawaya, M.R, Sambashivan, S, Nelson, R, Ivanova, M, Sievers, S.A, Apostol, M.I, Thompson, M.J, Balbirnie, M, Wiltzius, J.J, McFarlane, H, Madsen, A.O, Riekel, C, Eisenberg, D. | Deposit date: | 2007-01-24 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Atomic structures of amyloid cross-beta spines reveal varied steric zippers. Nature, 447, 2007
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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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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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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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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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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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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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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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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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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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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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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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8E7R
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![BU of 8e7r by Molmil](/molmil-images/mine/8e7r) | Crystal Structure of FosB from Bacillus cereus with Zinc and Phosphonoacetate | Descriptor: | FORMIC ACID, MAGNESIUM ION, Metallothiol transferase FosB, ... | Authors: | Travis, S, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K. | Deposit date: | 2022-08-24 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.975 Å) | Cite: | Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus. Rsc Med Chem, 14, 2023
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