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5H8U
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BU of 5h8u by Molmil
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
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
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
3SB0
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BU of 3sb0 by Molmil
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
5H8P
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BU of 5h8p by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in apo form
Descriptor: 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 (2.105 Å)
Cite: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
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
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
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
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
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
6APZ
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BU of 6apz by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-hydroxy-phenyldiketoacid
Descriptor: (2Z)-2-hydroxy-4-(3-hydroxyphenyl)-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-08-18
Release date:2018-08-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.254 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
6ASU
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BU of 6asu by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-methyl-phenyldiketoacid
Descriptor: (2Z)-2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G, ...
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-08-25
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.316 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
5CAH
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BU of 5cah by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 6H-thieno[2,3-b]pyrrole-5-carboxylic acid
Descriptor: 6H-thieno[2,3-b]pyrrole-5-carboxylic acid, MAGNESIUM ION, Malate synthase G
Authors:Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-06-29
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
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
Descriptor: (2Z)-4-(5-cyclopropyl-2-methylphenyl)-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:2017-08-23
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 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
5CC5
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BU of 5cc5 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 1H-indole-3-carboxylic acid
Descriptor: 1H-INDOLE-3-CARBOXYLIC ACID, GLYOXYLIC ACID, MAGNESIUM ION, ...
Authors:Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-07-01
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structures of fragment-bound malate synthase from Mycobacterium tuberculosis provide insights into mechanism and potential inhibitor designs
To Be Published
5C7V
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BU of 5c7v by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 1H-pyrrole-2-carboxylic acid
Descriptor: MAGNESIUM ION, Malate synthase G, PYRROLE-2-CARBOXYLATE
Authors:Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-06-25
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
6BA7
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BU of 6ba7 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Cl-4-OH-phenyldiketoacid
Descriptor: (2Z)-4-(2-chloro-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-10-12
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.496 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
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
Descriptor: 2,4-dichloro-5-fluorobenzoic acid, MAGNESIUM ION, Malate synthase G
Authors:Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-06-29
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
6AXB
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BU of 6axb by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-naphthyldiketoacid
Descriptor: (2Z)-2-hydroxy-4-(naphthalen-2-yl)-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-09-06
Release date:2018-09-05
Last modified:2023-10-04
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
5CBI
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BU of 5cbi by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 5-chloro-2-hydroxybenzonitrile
Descriptor: 5-chloro-2-hydroxybenzonitrile, MAGNESIUM ION, Malate synthase G
Authors:Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-06-30
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.988 Å)
Cite:Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
5CC6
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BU of 5cc6 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 1H-indole-5-carboxylic acid
Descriptor: 1H-indole-5-carboxylic acid, MAGNESIUM ION, Malate synthase G
Authors:Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-07-01
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of fragment-bound malate synthase from Mycobacterium tuberculosis provide insights into mechanism and potential inhibitor designs
To Be Published
5CJM
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BU of 5cjm by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4H-thieno[3,2-b]pyrrole-5-carboxylic acid
Descriptor: 4H-THIENO[3,2-B]PYROLE-5-CARBOXYLIC ACID, MAGNESIUM ION, Malate synthase G
Authors:Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-07-14
Release date:2016-08-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
5CC3
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BU of 5cc3 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 6-bromo-1H-indole-2-carboxylic acid
Descriptor: 6-bromanyl-1H-indole-2-carboxylic acid, MAGNESIUM ION, Malate synthase G
Authors:Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-07-01
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Crystal structures of fragment-bound malate synthase from Mycobacterium tuberculosis provide insights into mechanism and potential inhibitor designs
To Be Published
6C2X
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BU of 6c2x by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-6-Me-phenyldiketoacid
Descriptor: (2S)-4-(2-bromo-6-methylphenyl)-2-hydroxy-4-oxobutanoic acid, MAGNESIUM ION, Malate synthase G
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-09
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 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
6C6O
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BU of 6c6o by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-4-OH-phenyldiketoacid
Descriptor: (2Z)-4-(2-bromo-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-19
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 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
6C7B
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BU of 6c7b by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with Methoxynaphthyldiketoacid
Descriptor: (2Z)-2-hydroxy-4-(6-methoxynaphthalen-2-yl)-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-22
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.133 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
6C8P
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BU of 6c8p by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-F-phenyldiketoacid
Descriptor: (2Z)-4-(2-fluorophenyl)-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:2018-01-25
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.635 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
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
Descriptor: (2E)-N-(2-bromophenyl)-2-(hydroxyimino)acetamide, MAGNESIUM ION, Malate synthase G
Authors:Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-06-29
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.0928 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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數據於2024-07-10公開中

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