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PDB: 50 件
6AS6
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BU of 6as6 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-Prop-6-Me-phenyldiketoacid
分子名称: (2Z)-4-(5-cyclopropyl-2-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2017-08-23
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6DKO
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BU of 6dko by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2,6-F-phenyldiketoacid
分子名称: 4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2018-05-30
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.556 Å)
主引用文献Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6BU1
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BU of 6bu1 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-3-OH-phenyldiketoacid
分子名称: (2Z)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2017-12-08
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.584 Å)
主引用文献Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6C8P
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BU of 6c8p by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-F-phenyldiketoacid
分子名称: (2Z)-4-(2-fluorophenyl)-2-hydroxy-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2018-01-25
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.635 Å)
主引用文献Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6DNP
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BU of 6dnp by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-F-3-Methyl-6-F-phenyldiketoacid
分子名称: (2Z)-4-(2,6-difluoro-3-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ...
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC), Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
登録日2018-06-07
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.711 Å)
主引用文献Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
3S9Z
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BU of 3s9z by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-bromophenyl)-2,4-dioxobutanoic acid inhibitor
分子名称: 4-(2-bromophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
登録日2011-06-02
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.793 Å)
主引用文献Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase.
Chem.Biol., 19, 2012
6DL9
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BU of 6dl9 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2,6-Cl-phenyldiketoacid
分子名称: 4-(2,6-dichlorophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2018-05-31
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6AXB
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BU of 6axb by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-naphthyldiketoacid
分子名称: (2Z)-2-hydroxy-4-(naphthalen-2-yl)-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2017-09-06
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
3SAD
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BU of 3sad by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-mehtylphenyl)-2,4-dioxobutanoic acid inhibitor
分子名称: 4-(2-methylphenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
登録日2011-06-02
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase.
Chem.Biol., 19, 2012
3S9I
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BU of 3s9i by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-4-dioxo-4-phenylbutanoic acid inhibitor
分子名称: 2-4-DIOXO-4-PHENYLBUTANOIC ACID, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
登録日2011-06-01
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase.
Chem.Biol., 19, 2012
5E9X
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BU of 5e9x by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid
分子名称: 2-chloranyl-6~{H}-thieno[2,3-b]pyrrole-5-carboxylic acid, MAGNESIUM ION, Malate synthase G
著者Huang, H.-L, Sacchettini, J.C.
登録日2015-10-15
公開日2016-10-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.943 Å)
主引用文献Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
5C9U
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BU of 5c9u by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-(2-(2,4-dichlorophenyl)hydrazinyl)-2-oxoacetic acid
分子名称: MAGNESIUM ION, Malate synthase G, [2-(2,4-dichlorophenyl)hydrazinyl](oxo)acetic acid
著者Huang, H.-L, Sacchettini, J.C.
登録日2015-06-29
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
5CBJ
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BU of 5cbj by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-(phenylthio)acrylic acid
分子名称: (2E)-3-(phenylsulfanyl)prop-2-enoic acid, MAGNESIUM ION, Malate synthase G
著者Huang, H.-L, Sacchettini, J.C.
登録日2015-06-30
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.957 Å)
主引用文献Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
5CBI
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BU of 5cbi by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 5-chloro-2-hydroxybenzonitrile
分子名称: 5-chloro-2-hydroxybenzonitrile, MAGNESIUM ION, Malate synthase G
著者Huang, H.-L, Sacchettini, J.C.
登録日2015-06-30
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.988 Å)
主引用文献Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
5CAK
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BU of 5cak by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-hydroxy-3-(1H-indol-3-yl)propanoic acid
分子名称: (2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid, MAGNESIUM ION, Malate synthase G
著者Huang, H.-L, Sacchettini, J.C.
登録日2015-06-29
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
5C9R
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BU of 5c9r by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-((4-chlorophenyl)thio)propanoic acid
分子名称: 3-[(4-chlorophenyl)sulfanyl]propanoic acid, MAGNESIUM ION, Malate synthase G
著者Huang, H.-L, Sacchettini, J.C.
登録日2015-06-28
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
5CBB
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BU of 5cbb by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 5-(3H-indol-3-ylidene)-2,5-dihydro-1H-pyrazole-3-carboxylate
分子名称: (5E)-5-(3H-indol-3-ylidene)-2,5-dihydro-1H-pyrazole-3-carboxylic acid, MAGNESIUM ION, Malate synthase G
著者Huang, H.-L, Sacchettini, J.C.
登録日2015-06-30
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.012 Å)
主引用文献Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
5CEW
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BU of 5cew by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-(pyridin-4-yl)thiazolidine-4-carboxylic acid
分子名称: (2S,4S)-2-(pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid, MAGNESIUM ION, Malate synthase G
著者Huang, H.-L, Sacchettini, J.C.
登録日2015-07-07
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
3SAZ
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BU of 3saz by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(3-bromophenyl)-2,4-dioxobutanoic acid inhibitor
分子名称: 4-(3-bromophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
登録日2011-06-03
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase.
Chem.Biol., 19, 2012
5T8G
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BU of 5t8g by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-oxo-4-((thiophene-2-carbonyl)oxy)butanoic acid
分子名称: (3E)-2-oxo-4-[(thiophen-2-ylcarbonyl)oxy]but-3-enoic acid, MAGNESIUM ION, Malate synthase G
著者Huang, H.-L, Sacchetiini, J.C.
登録日2016-09-07
公開日2016-10-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
5ECV
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BU of 5ecv by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-hydroxy-4-(4-methyl-1H-indol-5-yl)-4-oxobut-2-enoic acid
分子名称: (~{Z})-4-(4-methyl-1~{H}-indol-5-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Huang, H.-L, Sacchettini, J.C.
登録日2015-10-20
公開日2016-10-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.085 Å)
主引用文献Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
5C9W
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BU of 5c9w by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with (Z)-N-(2-bromophenyl)-2-(hydroxyimino)acetamide
分子名称: (2E)-N-(2-bromophenyl)-2-(hydroxyimino)acetamide, MAGNESIUM ION, Malate synthase G
著者Huang, H.-L, Sacchettini, J.C.
登録日2015-06-29
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.0928 Å)
主引用文献Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
1N8I
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BU of 1n8i by Molmil
Biochemical and Structural Studies of Malate Synthase from Mycobacterium tuberculosis
分子名称: GLYOXYLIC ACID, MAGNESIUM ION, Probable malate synthase G
著者Smith, C.V, Huang, C.C, Miczak, A, Russell, D.G, Sacchettini, J.C, Honer zu Bentrup, K, TB Structural Genomics Consortium (TBSGC)
登録日2002-11-20
公開日2002-12-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biochemical and structural studies of malate synthase from Mycobacterium tuberculosis
J.Biol.Chem., 278, 2003
5DX7
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BU of 5dx7 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 5-(5-chlorothiophen-2-yl)isoxazole-3-carboxylic acid
分子名称: 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid, MAGNESIUM ION, Malate synthase G
著者Huang, H.-L, Sacchettini, J.C.
登録日2015-09-23
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
5C9X
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BU of 5c9x by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2,4-dichloro-5-fluorobenzoic acid
分子名称: 2,4-dichloro-5-fluorobenzoic acid, MAGNESIUM ION, Malate synthase G
著者Huang, H.-L, Sacchettini, J.C.
登録日2015-06-29
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016

 

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