3SAD
 
 | | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-mehtylphenyl)-2,4-dioxobutanoic acid inhibitor | | Descriptor: | 4-(2-methylphenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G | | Authors: | Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) | | Deposit date: | 2011-06-02 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase.
Chem.Biol., 19, 2012
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3SB0
 | | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid inhibitor | | Descriptor: | 4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G | | Authors: | Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) | | Deposit date: | 2011-06-03 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase.
Chem.Biol., 19, 2012
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3S9I
 | | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-4-dioxo-4-phenylbutanoic acid inhibitor | | Descriptor: | 2-4-DIOXO-4-PHENYLBUTANOIC ACID, MAGNESIUM ION, Malate synthase G | | Authors: | Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) | | Deposit date: | 2011-06-01 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase.
Chem.Biol., 19, 2012
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3S9Z
 | | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-bromophenyl)-2,4-dioxobutanoic acid inhibitor | | Descriptor: | 4-(2-bromophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G | | Authors: | Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) | | Deposit date: | 2011-06-02 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.793 Å) | | Cite: | Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase.
Chem.Biol., 19, 2012
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3SAZ
 | | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(3-bromophenyl)-2,4-dioxobutanoic acid inhibitor | | Descriptor: | 4-(3-bromophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G | | Authors: | Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) | | Deposit date: | 2011-06-03 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase.
Chem.Biol., 19, 2012
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5T8G
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5H8U
 | | Crystal structure of mycobacterium tuberculosis wild-type malate synthase in complex with product malate | | Descriptor: | (2S)-2-hydroxybutanedioic acid, GLYOXYLIC ACID, MAGNESIUM ION, ... | | Authors: | Krieger, I.V, Huang, H.-L, Sacchettini, J.C. | | Deposit date: | 2015-12-23 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
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5H8P
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5H8M
 | | Crystal structure of Mycobacterium tuberculosis malate synthase C619A, G459A mutant in complex with product malate | | Descriptor: | (2S)-2-hydroxybutanedioic acid, MAGNESIUM ION, Malate synthase G | | Authors: | Krieger, I.V, Huang, H.-L, Sacchettini, J.C. | | Deposit date: | 2015-12-23 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
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6AU9
 | | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with dioxine-phenyldiketoacid | | Descriptor: | (2Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2017-08-31 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
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6APZ
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6ASU
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6AS6
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6BA7
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6AXB
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6BU1
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6DL9
 | | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2,6-Cl-phenyldiketoacid | | Descriptor: | 4-(2,6-dichlorophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G | | Authors: | Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2018-05-31 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
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6C6O
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6DKO
 | | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2,6-F-phenyldiketoacid | | Descriptor: | 4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G | | Authors: | Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2018-05-30 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.556 Å) | | Cite: | Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
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6DNP
 | | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-F-3-Methyl-6-F-phenyldiketoacid | | Descriptor: | (2Z)-4-(2,6-difluoro-3-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ... | | Authors: | Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC), Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) | | Deposit date: | 2018-06-07 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.711 Å) | | Cite: | Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
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6C7B
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6C2X
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6C8P
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6DLJ
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5CC3
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