8U57
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![BU of 8u57 by Molmil](/molmil-images/mine/8u57) | PPARg LBD in complex with perfluorooctanoic acid (PFOA) | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peroxisome proliferator-activated receptor gamma, pentadecafluorooctanoic acid | Authors: | Pederick, J.L, Frkic, R.L, McDougal, D.P, Bruning, J.B. | Deposit date: | 2023-09-12 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A structural basis for the activation of peroxisome proliferator-activated receptor gamma (PPAR gamma ) by perfluorooctanoic acid (PFOA). Chemosphere, 354, 2024
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7R8P
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7R8Q
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![BU of 7r8q by Molmil](/molmil-images/mine/7r8q) | Closed form of SAOUHSC_02373 in complex with ADP, citrate, Mg2+ and Na+ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, CITRIC ACID, ... | Authors: | Pederick, J.L, Bruning, J.B. | Deposit date: | 2021-06-27 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of an ʟ-amino acid ligase implicated in Staphylococcal sulfur amino acid metabolism. J.Biol.Chem., 298, 2022
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7RML
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![BU of 7rml by Molmil](/molmil-images/mine/7rml) | Neisseria meningitidis Methylenetetrahydrofolate reductase in complex with FAD | Descriptor: | 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Pederick, J.L, Wegener, K.L, Salaemae, W, Bruning, J.B. | Deposit date: | 2021-07-27 | Release date: | 2022-11-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Biochemical and structural characterization of meningococcal methylenetetrahydrofolate reductase. Protein Sci., 32, 2023
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7UK6
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7UK8
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![BU of 7uk8 by Molmil](/molmil-images/mine/7uk8) | Apo form of YgiC from Escherichia coli K-12 | Descriptor: | MAGNESIUM ION, NICKEL (II) ION, Putative acid--amine ligase YgiC, ... | Authors: | Pederick, J.L, Bruning, J.B. | Deposit date: | 2022-03-31 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Escherichia coli YgiC and YjfC Possess Peptide─Spermidine Ligase Activity. Biochemistry, 62, 2023
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7UK7
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7UKA
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7U9K
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![BU of 7u9k by Molmil](/molmil-images/mine/7u9k) | Staphylococcus aureus D-alanine-D-alanine ligase in complex with ATP, D-ala-D-ala, Mg2+ and K+ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, D-alanine--D-alanine ligase, ... | Authors: | Pederick, J.L, Bruning, J.B. | Deposit date: | 2022-03-10 | Release date: | 2023-03-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-guided design and synthesis of ATP-competitive N-acyl-substituted sulfamide d-alanine-d-alanine ligase inhibitors. Bioorg.Med.Chem., 96, 2023
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8EVZ
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![BU of 8evz by Molmil](/molmil-images/mine/8evz) | DdlB from Pseudomonas aeruginosa PAO1 in complex with ADP and phosphorylated D-cycloserine | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase B, MAGNESIUM ION, ... | Authors: | Pederick, J.L, Woolman, J.C, Bruning, J.B. | Deposit date: | 2022-10-21 | Release date: | 2023-08-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets. Febs J., 290, 2023
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8EVW
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![BU of 8evw by Molmil](/molmil-images/mine/8evw) | DdlA from Pseudomonas aeruginosa PAO1 in complex with ATP and D-ala-D-ala | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-ALANINE, D-alanine--D-alanine ligase A, ... | Authors: | Pederick, J.L, Woolman, J.C, Bruning, J.B. | Deposit date: | 2022-10-21 | Release date: | 2023-08-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets. Febs J., 290, 2023
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8EVY
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![BU of 8evy by Molmil](/molmil-images/mine/8evy) | DdlB from Pseudomonas aeruginosa PAO1 in complex with ATP and D-ala-D-ala | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-ALANINE, D-alanine--D-alanine ligase B, ... | Authors: | Pederick, J.L, Woolman, J.C, Bruning, J.B. | Deposit date: | 2022-10-21 | Release date: | 2023-08-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets. Febs J., 290, 2023
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8EVV
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8EVX
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![BU of 8evx by Molmil](/molmil-images/mine/8evx) | DdlA from Pseudomonas aeruginosa PAO1 in complex with ADP and phosphorylated D-cycloserine | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase A, MAGNESIUM ION, ... | Authors: | Pederick, J.L, Woolman, J.C, Bruning, J.B. | Deposit date: | 2022-10-21 | Release date: | 2023-08-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets. Febs J., 290, 2023
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7KE3
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![BU of 7ke3 by Molmil](/molmil-images/mine/7ke3) | Heavy chain ferritin with C-terminal EBNA1 epitope | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (III) ION, Ferritin heavy chain,Epstein-Barr nuclear antigen 1 | Authors: | Pederick, J.L, Bruning, J.B. | Deposit date: | 2020-10-10 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Immunogenicity study of engineered ferritins with C- and N-terminus insertion of Epstein-Barr nuclear antigen 1 epitope. Vaccine, 39, 2021
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7L1J
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6U1G
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![BU of 6u1g by Molmil](/molmil-images/mine/6u1g) | Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, Mg2+ and Cs+ | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, D-ALANINE, ... | Authors: | Pederick, J.L, Bruning, J.B. | Deposit date: | 2019-08-15 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations. J.Biol.Chem., 295, 2020
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6U1H
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![BU of 6u1h by Molmil](/molmil-images/mine/6u1h) | Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphate, Mg2+ and K+ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase, MAGNESIUM ION, ... | Authors: | Pederick, J.L, Bruning, J.B. | Deposit date: | 2019-08-15 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations. J.Biol.Chem., 295, 2020
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6U1K
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![BU of 6u1k by Molmil](/molmil-images/mine/6u1k) | Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, carbonate, D-alanine-D-alanine, Mg2+ and K+ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CARBONATE ION, D-ALANINE, ... | Authors: | Pederick, J.L, Bruning, J.B. | Deposit date: | 2019-08-15 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations. J.Biol.Chem., 295, 2020
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6U1C
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6U1D
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![BU of 6u1d by Molmil](/molmil-images/mine/6u1d) | Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, Mg2+ and Rb+ | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-ALANINE, D-alanine--D-alanine ligase, ... | Authors: | Pederick, J.L, Bruning, J.B. | Deposit date: | 2019-08-15 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations. J.Biol.Chem., 295, 2020
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6U1J
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![BU of 6u1j by Molmil](/molmil-images/mine/6u1j) | Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphate, D-ala-D-ala, Mg2+ and K+ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-ALANINE, D-alanine--D-alanine ligase, ... | Authors: | Pederick, J.L, Bruning, J.B, Thompson, A.P. | Deposit date: | 2019-08-15 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations. J.Biol.Chem., 295, 2020
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6U1E
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![BU of 6u1e by Molmil](/molmil-images/mine/6u1e) | Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, Mg2+ and Rb+ | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-ALANINE, D-alanine--D-alanine ligase, ... | Authors: | Pederick, J.L, Bruning, J.B. | Deposit date: | 2019-08-15 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations. J.Biol.Chem., 295, 2020
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6U1F
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![BU of 6u1f by Molmil](/molmil-images/mine/6u1f) | Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, Mg2+ and Cs+ | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, D-ALANINE, ... | Authors: | Pederick, J.L, Bruning, J.B. | Deposit date: | 2019-08-15 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations. J.Biol.Chem., 295, 2020
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6U1I
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![BU of 6u1i by Molmil](/molmil-images/mine/6u1i) | Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphorylated D-cycloserine, Mg2+ and K+ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase, MAGNESIUM ION, ... | Authors: | Pederick, J.L, Bruning, J.B, Thompson, A.P. | Deposit date: | 2019-08-15 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations. J.Biol.Chem., 295, 2020
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