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6U1I
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BU of 6u1i by Molmil
Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphorylated D-cycloserine, Mg2+ and K+
分子名称: ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase, MAGNESIUM ION, ...
著者Pederick, J.L, Bruning, J.B, Thompson, A.P.
登録日2019-08-15
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
7UK8
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BU of 7uk8 by Molmil
Apo form of YgiC from Escherichia coli K-12
分子名称: MAGNESIUM ION, NICKEL (II) ION, Putative acid--amine ligase YgiC, ...
著者Pederick, J.L, Bruning, J.B.
登録日2022-03-31
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Escherichia coli YgiC and YjfC Possess Peptide─Spermidine Ligase Activity.
Biochemistry, 62, 2023
7UK7
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BU of 7uk7 by Molmil
YjfC from Escherichia coli K-12 in complex with ADP, Mg2+ and SO4
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative acid--amine ligase YjfC, ...
著者Pederick, J.L, Bruning, J.B.
登録日2022-03-31
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Escherichia coli YgiC and YjfC Possess Peptide─Spermidine Ligase Activity.
Biochemistry, 62, 2023
7UKA
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BU of 7uka by Molmil
YgiC from Escherichia coli K-12 in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, NICKEL (II) ION, Putative acid--amine ligase YgiC, ...
著者Pederick, J.L, Bruning, J.B.
登録日2022-03-31
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Escherichia coli YgiC and YjfC Possess Peptide─Spermidine Ligase Activity.
Biochemistry, 62, 2023
7R8Q
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BU of 7r8q by Molmil
Closed form of SAOUHSC_02373 in complex with ADP, citrate, Mg2+ and Na+
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, CITRIC ACID, ...
著者Pederick, J.L, Bruning, J.B.
登録日2021-06-27
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of an ʟ-amino acid ligase implicated in Staphylococcal sulfur amino acid metabolism.
J.Biol.Chem., 298, 2022
7R8P
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BU of 7r8p by Molmil
Open form of SAOUHSC_02373 in complex with ADP, Mg2+ and Na+
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, CHLORIDE ION, ...
著者Pederick, J.L, Bruning, J.B.
登録日2021-06-27
公開日2022-09-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Discovery of an ʟ-amino acid ligase implicated in Staphylococcal sulfur amino acid metabolism.
J.Biol.Chem., 298, 2022
8EVV
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BU of 8evv by Molmil
Apo form of DdlA from Pseudomonas aeruginosa PAO1
分子名称: D-alanine--D-alanine ligase A
著者Pederick, J.L, Woolman, J.C, Bruning, J.B.
登録日2022-10-21
公開日2023-08-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Febs J., 290, 2023
8EVZ
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BU of 8evz by Molmil
DdlB from Pseudomonas aeruginosa PAO1 in complex with ADP and phosphorylated D-cycloserine
分子名称: ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase B, MAGNESIUM ION, ...
著者Pederick, J.L, Woolman, J.C, Bruning, J.B.
登録日2022-10-21
公開日2023-08-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Febs J., 290, 2023
8EVY
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BU of 8evy by Molmil
DdlB from Pseudomonas aeruginosa PAO1 in complex with ATP and D-ala-D-ala
分子名称: ADENOSINE-5'-TRIPHOSPHATE, D-ALANINE, D-alanine--D-alanine ligase B, ...
著者Pederick, J.L, Woolman, J.C, Bruning, J.B.
登録日2022-10-21
公開日2023-08-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Febs J., 290, 2023
8EVW
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BU of 8evw by Molmil
DdlA from Pseudomonas aeruginosa PAO1 in complex with ATP and D-ala-D-ala
分子名称: ADENOSINE-5'-TRIPHOSPHATE, D-ALANINE, D-alanine--D-alanine ligase A, ...
著者Pederick, J.L, Woolman, J.C, Bruning, J.B.
登録日2022-10-21
公開日2023-08-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Febs J., 290, 2023
8EVX
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BU of 8evx by Molmil
DdlA from Pseudomonas aeruginosa PAO1 in complex with ADP and phosphorylated D-cycloserine
分子名称: ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase A, MAGNESIUM ION, ...
著者Pederick, J.L, Woolman, J.C, Bruning, J.B.
登録日2022-10-21
公開日2023-08-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Febs J., 290, 2023
7UK6
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BU of 7uk6 by Molmil
Apo form of YjfC from Escherichia coli K-12
分子名称: Putative acid--amine ligase YjfC, SULFATE ION
著者Pederick, J.L, Bruning, J.B.
登録日2022-03-31
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Escherichia coli YgiC and YjfC Possess Peptide─Spermidine Ligase Activity.
Biochemistry, 62, 2023
6U1G
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BU of 6u1g by Molmil
Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, Mg2+ and Cs+
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, D-ALANINE, ...
著者Pederick, J.L, Bruning, J.B.
登録日2019-08-15
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
6U1H
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BU of 6u1h by Molmil
Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphate, Mg2+ and K+
分子名称: ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase, MAGNESIUM ION, ...
著者Pederick, J.L, Bruning, J.B.
登録日2019-08-15
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
6U1K
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BU of 6u1k by Molmil
Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, carbonate, D-alanine-D-alanine, Mg2+ and K+
分子名称: ADENOSINE-5'-DIPHOSPHATE, CARBONATE ION, D-ALANINE, ...
著者Pederick, J.L, Bruning, J.B.
登録日2019-08-15
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
6U1C
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BU of 6u1c by Molmil
Apo form of Thermus thermophilus D-alanine-D-alanine ligase
分子名称: D-alanine--D-alanine ligase
著者Pederick, J.L, Bruning, J.B.
登録日2019-08-15
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
6U1D
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BU of 6u1d by Molmil
Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, Mg2+ and Rb+
分子名称: ADENOSINE-5'-TRIPHOSPHATE, D-ALANINE, D-alanine--D-alanine ligase, ...
著者Pederick, J.L, Bruning, J.B.
登録日2019-08-15
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
6U1J
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BU of 6u1j by Molmil
Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphate, D-ala-D-ala, Mg2+ and K+
分子名称: ADENOSINE-5'-DIPHOSPHATE, D-ALANINE, D-alanine--D-alanine ligase, ...
著者Pederick, J.L, Bruning, J.B, Thompson, A.P.
登録日2019-08-15
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
6U1E
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BU of 6u1e by Molmil
Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, Mg2+ and Rb+
分子名称: ADENOSINE-5'-TRIPHOSPHATE, D-ALANINE, D-alanine--D-alanine ligase, ...
著者Pederick, J.L, Bruning, J.B.
登録日2019-08-15
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
6U1F
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BU of 6u1f by Molmil
Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, Mg2+ and Cs+
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, D-ALANINE, ...
著者Pederick, J.L, Bruning, J.B.
登録日2019-08-15
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
7RML
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BU of 7rml by Molmil
Neisseria meningitidis Methylenetetrahydrofolate reductase in complex with FAD
分子名称: 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE
著者Pederick, J.L, Wegener, K.L, Salaemae, W, Bruning, J.B.
登録日2021-07-27
公開日2022-11-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Biochemical and structural characterization of meningococcal methylenetetrahydrofolate reductase.
Protein Sci., 32, 2023
7U9K
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BU of 7u9k by Molmil
Staphylococcus aureus D-alanine-D-alanine ligase in complex with ATP, D-ala-D-ala, Mg2+ and K+
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, D-alanine--D-alanine ligase, ...
著者Pederick, J.L, Bruning, J.B.
登録日2022-03-10
公開日2023-03-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-guided design and synthesis of ATP-competitive N-acyl-substituted sulfamide d-alanine-d-alanine ligase inhibitors.
Bioorg.Med.Chem., 96, 2023
7KE3
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BU of 7ke3 by Molmil
Heavy chain ferritin with C-terminal EBNA1 epitope
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (III) ION, Ferritin heavy chain,Epstein-Barr nuclear antigen 1
著者Pederick, J.L, Bruning, J.B.
登録日2020-10-10
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Immunogenicity study of engineered ferritins with C- and N-terminus insertion of Epstein-Barr nuclear antigen 1 epitope.
Vaccine, 39, 2021
7L1J
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BU of 7l1j by Molmil
Mycobacterium tuberculosis dethiobiotin synthetase in complex with Tetrazole 1
分子名称: ATP-dependent dethiobiotin synthetase BioD, GLYCEROL, SULFATE ION, ...
著者Pederick, J.L, Bruning, J.B.
登録日2020-12-14
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Inhibition of Mycobacterium tuberculosis Dethiobiotin Synthase ( Mt DTBS): Toward Next-Generation Antituberculosis Agents.
Acs Chem.Biol., 16, 2021
7SQA
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BU of 7sqa by Molmil
PPAR gamma LBD bound to SR10221 and SMRT corepressor motif
分子名称: (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
著者Frkic, R.L, Pederick, J.L, Bruning, J.B.
登録日2021-11-05
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献PPAR gamma Corepression Involves Alternate Ligand Conformation and Inflation of H12 Ensembles.
Acs Chem.Biol., 18, 2023

 

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