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Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-hydroxy-4-(1H-indol-3-yl)-4-oxobut-2-enoic acid
Descriptor:	(2Z)-2-hydroxy-4-(1H-indol-3-yl)-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
Authors:	Huang, H.-L, Sacchettini, J.C.
Deposit date:	2015-09-15
Release date:	2016-09-28
Last modified:	2023-11-15
Method:	X-RAY DIFFRACTION (2.18 Å)
Cite:	Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange. J. Biol. Chem., 291, 2016

6APZ

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

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

6AS6

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

6BA7

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

6AXB

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

6C2X

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

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

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

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

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

6BU1

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-3-OH-phenyldiketoacid
Descriptor:	(2Z)-4-(2-bromo-3-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:	2017-12-08
Release date:	2018-09-05
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (1.584 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

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

5CC5

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

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

5C9X

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

5CBI

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

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

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

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

5C9W

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

5CC7

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 1H-indole-6-carboxylic acid
Descriptor:	1H-indole-6-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 (2.12 Å)
Cite:	Crystal structures of fragment-bound malate synthase from Mycobacterium tuberculosis provide insights into mechanism and potential inhibitor designs To Be Published

5CEW

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-(pyridin-4-yl)thiazolidine-4-carboxylic acid
Descriptor:	(2S,4S)-2-(pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid, MAGNESIUM ION, Malate synthase G
Authors:	Huang, H.-L, Sacchettini, J.C.
Deposit date:	2015-07-07
Release date:	2016-08-10
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (2.03 Å)
Cite:	Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange. J. Biol. Chem., 291, 2016

5CBJ

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-(phenylthio)acrylic acid
Descriptor:	(2E)-3-(phenylsulfanyl)prop-2-enoic acid, 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 (1.957 Å)
Cite:	Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange. J. Biol. Chem., 291, 2016

5C9R

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-((4-chlorophenyl)thio)propanoic acid
Descriptor:	3-[(4-chlorophenyl)sulfanyl]propanoic acid, MAGNESIUM ION, Malate synthase G
Authors:	Huang, H.-L, Sacchettini, J.C.
Deposit date:	2015-06-28
Release date:	2016-07-27
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (2 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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