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6NU6
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BU of 6nu6 by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 5
分子名称: 4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid, 4-[(1S,2R)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid, ATP-dependent dethiobiotin synthetase BioD, ...
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-01-31
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.437 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 5
To Be Published
6NVE
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BU of 6nve by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 7
分子名称: 4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-02-05
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 7
To Be Published
6NVC
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BU of 6nvc by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 6
分子名称: ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, {(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetic acid
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-02-04
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 6
To Be Published
8FLO
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BU of 8flo by Molmil
X-ray crystal structure of substrate free CYP124A1 from Mycobacterium Marinum
分子名称: Cytochrome P450 124A1, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Ghith, A, Bruning, J.B, Bell, S.G.
登録日2022-12-22
公開日2023-03-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献The catalytic activity and structure of the lipid metabolizing CYP124 cytochrome P450 enzyme from Mycobacterium marinum.
Arch.Biochem.Biophys., 737, 2023
8FJO
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BU of 8fjo by Molmil
X-ray crystal structure of CYP124A1 from Mycobacterium Marinum in complex with farnesyl acetate
分子名称: (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate, AMMONIUM ION, Cytochrome P450 124A1, ...
著者Ghith, A, Bruning, J.B, Bell, S.G.
登録日2022-12-20
公開日2023-03-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献The catalytic activity and structure of the lipid metabolizing CYP124 cytochrome P450 enzyme from Mycobacterium marinum.
Arch.Biochem.Biophys., 737, 2023
8FKB
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BU of 8fkb by Molmil
X-ray crystal structure of CYP124A1 from Mycobacterium Marinum bound to Farnesol
分子名称: (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, Cytochrome P450 124A1, DI(HYDROXYETHYL)ETHER, ...
著者Ghith, A, Bruning, J.B, Bell, S.G.
登録日2022-12-21
公開日2023-03-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献The catalytic activity and structure of the lipid metabolizing CYP124 cytochrome P450 enzyme from Mycobacterium marinum.
Arch.Biochem.Biophys., 737, 2023
6OOW
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BU of 6oow by Molmil
The crystal structure of 4-ethylbenzoate bound to T252A mutant of CYP199A4
分子名称: 4-ethylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Coleman, T, Bruning, J.B, Bell, S.G.
登録日2019-04-23
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural investigation of the interplay between the substrate and the acid-alcohol pair of residues in cytochrome P450 enzymes
To Be Published
3T55
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BU of 3t55 by Molmil
Crystal structure of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) in complex with Phenoxymethyl Benzoic Acid (PMBA)
分子名称: 3-(phenoxymethyl)benzoic acid, Indole-3-glycerol phosphate synthase, MALONATE ION, ...
著者Reddy, M.C.M, Bruning, J.B, Thurman, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2011-07-26
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural Insights and Inhibition of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS): an Essential Enzyme for Tryptophan Biosynthesis
To be Published
3T40
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BU of 3t40 by Molmil
Crystal Structure of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) complex with N-2-Carboxyphenyl Glycine (CPG)
分子名称: 2-[(carboxymethyl)amino]benzoic acid, Indole-3-glycerol phosphate synthase, SULFATE ION
著者Reddy, M.C.M, Bruning, J.B, Thurman, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2011-07-25
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Structural Insights and Inhibition of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS): an Essential Enzyme for Tryptophan Biosynthesis
To be Published
8G35
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BU of 8g35 by Molmil
Crystal structure of F182L-CYP199A4 in complex with (S)-4-(2-hydroxy-3-oxobutan-2-yl)benzoic acid
分子名称: 4-[(2S)-2-hydroxy-3-oxobutan-2-yl]benzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Lee, J.H.Z, Bell, S.G, Bruning, J.B.
登録日2023-02-06
公開日2023-05-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineering C-C Bond Cleavage Activity into a P450 Monooxygenase Enzyme.
J.Am.Chem.Soc., 145, 2023
8GDI
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BU of 8gdi by Molmil
X-ray crystal structure of CYP124A1 from Mycobacterium Marinum in complex with 7-ketocholesterol
分子名称: (3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one, Cytochrome P450 124A1, PROTOPORPHYRIN IX CONTAINING FE
著者Ghith, A, Bruning, J.B, Bell, S.G.
登録日2023-03-06
公開日2023-05-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献The oxidation of cholesterol derivatives by the CYP124 and CYP142 enzymes from Mycobacterium marinum.
J.Steroid Biochem.Mol.Biol., 231, 2023
7REH
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BU of 7reh by Molmil
Crystal structure of T252E CYP199A4 bound to 4-methoxybenzoic acid
分子名称: 4-METHOXYBENZOIC ACID, ACETATE ION, CHLORIDE ION, ...
著者Podgorski, M.N, Bruning, J.B, Bell, S.G.
登録日2021-07-12
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.545 Å)
主引用文献An Altered Heme Environment in an Engineered Cytochrome P450 Enzyme Enables the Switch from Monooxygenase to Peroxygenase Activity
Acs Catalysis, 2022
7RHV
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BU of 7rhv by Molmil
Aspergillus fumigatus Enolase
分子名称: Enolase, MAGNESIUM ION
著者Nguyen, S, Bruning, J.B.
登録日2021-07-19
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A structural model of the human plasminogen and Aspergillus fumigatus enolase complex.
Proteins, 90, 2022
7RI0
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BU of 7ri0 by Molmil
Aspergillus fumigatus Enolase Bound to Phosphoenolpyruvate and 2-Phosphoglycerate
分子名称: 2-PHOSPHOGLYCERIC ACID, Enolase, MAGNESIUM ION, ...
著者Nguyen, S, Bruning, J.B.
登録日2021-07-19
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A structural model of the human plasminogen and Aspergillus fumigatus enolase complex.
Proteins, 90, 2022
7RHW
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BU of 7rhw by Molmil
Aspergillus fumigatus Enolase Bound to 2-Phosphoglycerate
分子名称: 2-PHOSPHOGLYCERIC ACID, Enolase, MAGNESIUM ION
著者Nguyen, S, Bruning, J.B.
登録日2021-07-19
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A structural model of the human plasminogen and Aspergillus fumigatus enolase complex.
Proteins, 90, 2022
6OOX
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BU of 6oox by Molmil
The crystal structure of 4-isopropylbenzoate bound to T252A mutant of CYP199A4
分子名称: 4-propan-2-ylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Coleman, T, Bruning, J.B, Bell, S.G.
登録日2019-04-23
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.774 Å)
主引用文献Structural investigation of the interplay between the substrate and the acid-alcohol pair of residues in cytochrome P450 enzymes
To Be Published
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
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
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
6NWG
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BU of 6nwg by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 3a
分子名称: ATP-dependent dethiobiotin synthetase BioD, [(1R,2R)-2-(2-methoxybenzene-1-carbonyl)cyclopentyl]propanedioic acid
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-02-06
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.939 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 3a
To Be Published
8GLZ
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BU of 8glz by Molmil
Crystal structure of T252E-CYP199A4 in complex with 4-hydroxybenzoic acid. Crystal was initially co-crystallised with 4-methoxybenzoic acid and soaked with 4 mM hydrogen peroxide
分子名称: CHLORIDE ION, Cytochrome P450, P-HYDROXYBENZOIC ACID, ...
著者Lee, J.H.Z, Bruning, J.B, Bell, S.G.
登録日2023-03-23
公開日2023-12-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
6NNZ
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BU of 6nnz by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 4
分子名称: ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, [(1R,2S)-2-(benzenecarbonyl)cyclopentyl]acetic acid, ...
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-01-15
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 4
To Be Published
7RK5
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BU of 7rk5 by Molmil
Mannitol-2-dehydrogenase bound to NADH from Aspergillus fumigatus
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Mannitol 2-dehydrogenase
著者Nguyen, S, Bruning, J.B.
登録日2021-07-22
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Targeting the Mannitol Biosynthesis Pathway in Aspergillus fumigatus: Characterisation and Inhibition of Mannitol-2-Dehydrogenase
To Be Published
8GM2
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BU of 8gm2 by Molmil
Crystal structure of T252E-CYP199A4 in complex with 4-methoxybenzoic acid soaked with 2 mM hydrogen peroxide
分子名称: 4-METHOXYBENZOIC ACID, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Lee, J.H.Z, Bruning, J.B, Bell, S.G.
登録日2023-03-24
公開日2023-12-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
7RK4
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BU of 7rk4 by Molmil
Mannitol-2-dehydrogenase from Aspergillus fumigatus
分子名称: Mannitol 2-dehydrogenase
著者Nguyen, S, Bruning, J.B.
登録日2021-07-22
公開日2022-07-27
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Targeting the Mannitol Biosynthesis Pathway in Aspergillus fumigatus: Characterisation and Inhibition of Mannitol-2-Dehydrogenase
To Be Published

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件を2024-10-16に公開中

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