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PDB: 220 件

6NKB
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Crystal structure of Dethiobiotin Synthetase from Mycobacterium tuberculosis in complex with 2'-deoxycytidine diphosphate
分子名称: ATP-dependent dethiobiotin synthetase BioD, DEOXYCYTIDINE DIPHOSPHATE, MAGNESIUM ION
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-01-07
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Dethiobiotin Synthetase from Mycobacterium tuberculosis in complex with 2'-deoxycytidine diphosphate
To be published
6NL4
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Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with gemcitabine
分子名称: ATP-dependent dethiobiotin synthetase BioD, GEMCITABINE, SULFATE ION
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-01-07
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with gemcitabine
To Be Published
6NWG
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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
6NU6
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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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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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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
6NMZ
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Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with an intentionally produced fragment degradation product B9D
分子名称: ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, [(1R,2S)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid, ...
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-01-14
公開日2020-01-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with an intentionally produced fragment degradation product B9D
To Be Published
7SMZ
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X-ray crystal structure of CYP142A3 from Mycobacterium Marinum in complex with 4-cholesten-3-one
分子名称: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, ACETATE ION, Cytochrome P450 142A3, ...
著者Ghith, A, Bruning, J.B, Bell, S.G.
登録日2021-10-27
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum.
Acs Infect Dis., 8, 2022
6NNZ
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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
6NWN
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Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with glutamic acid linked compound 10
分子名称: 5'-{[N-({(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetyl)-L-gamma-glutamyl]amino}-2',5'-dideoxycytidine, ATP-dependent dethiobiotin synthetase BioD, CITRIC 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 (2.005 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with glutamic acid linked compound 10
To Be Published
7RHW
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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
7RHV
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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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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
6OOW
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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
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
7RK4
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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
4G2R
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BU of 4g2r by Molmil
Crystal Structure of the carboxyltransferase subunit of ACC (AccD6) in complex with inhibitor haloxyfop from Mycobacterium tuberculosis
分子名称: (2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid, AccD6, Carboxyltransferase beta-subunit of Acyl-CoA Carboxylase
著者Reddy, M.C.M, Bruning, J.B, Thurman, C, Sherekar, M, Valluru, S, Ehrenfeld, H, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2012-07-12
公開日2014-02-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure, Activity, and Inhibition of the Carboxyltransferase beta-Subunit of Acetyl Coenzyme A Carboxylase (AccD6) from Mycobacterium tuberculosis.
Antimicrob.Agents Chemother., 58, 2014
4FB8
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Crystal Structure of apo Acyl-CoA Carboxylase
分子名称: Probable propionyl-CoA carboxylase beta chain 6
著者Reddy, M.C.M, Bruning, J.B, Sherekar, M, Valluru, S, Ehrenfeld, H, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2012-05-22
公開日2014-02-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure, Activity, and Inhibition of the Carboxyltransferase beta-Subunit of Acetyl Coenzyme A Carboxylase (AccD6) from Mycobacterium tuberculosis.
Antimicrob.Agents Chemother., 58, 2014
4FOG
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Crystal Structure of Mtb ThyA in Complex with 5-Fluoro-dUMP and 5-methyltetrahydrofolic acid
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, Thymidylate synthase
著者Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2012-06-20
公開日2013-08-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: Insights into the selectivity and mode of inhibition
To be Published
4FOX
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Crystal Structure of Mtb ThyA in complex with dUMP and Raltitrexed
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase
著者Reddy, M.C.M, Bruning, J.B, Sacchettini, J.C, Harshbarger, W, TB Structural Genomics Consortium (TBSGC)
登録日2012-06-21
公開日2013-08-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: Insights into the selectivity and mode of inhibition
To be Published
4FOA
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Crystal Structure of the Mtb ThyA in Complex with 5-fluoro-dUMP
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Thymidylate synthase
著者Reddy, M.C.M, Bruning, J.B, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2012-06-20
公開日2013-08-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.253 Å)
主引用文献Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: Insights into the selectivity and mode of inhibition
To be Published
4FQS
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Crystal Structure of Mycobacterium tuberculosis ThyA in complex with UMP and Pemetrexed
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, Thymidylate synthase
著者Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C.
登録日2012-06-25
公開日2013-08-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: insights into the selectivity and mode of inhibition
To be Published
4I7E
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Crystal Structure of the Bacillus stearothermophilus Phosphofructokinase Mutant D12A in Complex with PEP
分子名称: 6-phosphofructokinase, PHOSPHOENOLPYRUVATE
著者Mosser, R, Reddy, M, Bruning, J.B, Sacchettini, J.C, Reinhart, G.D.
登録日2012-11-30
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Redefining the Role of the Quaternary Shift in Bacillus stearothermophilus Phosphofructokinase.
Biochemistry, 52, 2013
4I36
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Crystal Structure of the Bacillus stearothermophilus Phosphofructokinase Mutant D12A
分子名称: 6-phosphofructokinase
著者Mosser, R, Reddy, M, Bruning, J.B, Sacchettini, J.C, Reinhart, G.D.
登録日2012-11-25
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Redefining the Role of the Quaternary Shift in Bacillus stearothermophilus Phosphofructokinase.
Biochemistry, 52, 2013
4I4I
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Crystal Structure of Bacillus stearothermophilus Phosphofructokinase mutant T156A bound to PEP
分子名称: 6-phosphofructokinase, PHOSPHOENOLPYRUVATE
著者Mosser, R, Reddy, M, Bruning, J.B, Sacchettini, J.C, Reinhart, G.D.
登録日2012-11-27
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4948 Å)
主引用文献Redefining the Role of the Quaternary Shift in Bacillus stearothermophilus Phosphofructokinase.
Biochemistry, 52, 2013

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件を2024-10-30に公開中

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