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Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 5-(3H-indol-3-ylidene)-2,5-dihydro-1H-pyrazole-3-carboxylate
Descriptor:	(5E)-5-(3H-indol-3-ylidene)-2,5-dihydro-1H-pyrazole-3-carboxylic 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 (2.012 Å)
Cite:	Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange. J. Biol. Chem., 291, 2016

5CJN

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)acrylate
Descriptor:	3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic 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 (2.19 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

5C9U

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-(2-(2,4-dichlorophenyl)hydrazinyl)-2-oxoacetic acid
Descriptor:	MAGNESIUM ION, Malate synthase G, [2-(2,4-dichlorophenyl)hydrazinyl](oxo)acetic acid
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 (1.95 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

5CCZ

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-amine
Descriptor:	3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-amine, MAGNESIUM ION, Malate synthase G
Authors:	Huang, H.-L, Sacchettini, J.C.
Deposit date:	2015-07-02
Release date:	2016-08-10
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (2.136 Å)
Cite:	Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange. J. Biol. Chem., 291, 2016

5DRI

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-hydroxy-4-(1H-indol-5-yl)-4-oxobut-2-enoic acid inhibitor
Descriptor:	(2Z)-2-hydroxy-4-(1H-indol-5-yl)-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
Authors:	Krieger, I.V, Huang, H.-L, Sacchettini, J.C.
Deposit date:	2015-09-15
Release date:	2016-09-28
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (2.8 Å)
Cite:	Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange. J. Biol. Chem., 291, 2016

5DX7

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 5-(5-chlorothiophen-2-yl)isoxazole-3-carboxylic acid
Descriptor:	5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid, MAGNESIUM ION, Malate synthase G
Authors:	Huang, H.-L, Sacchettini, J.C.
Deposit date:	2015-09-23
Release date:	2016-10-05
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

5ECV

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-hydroxy-4-(4-methyl-1H-indol-5-yl)-4-oxobut-2-enoic acid
Descriptor:	(~{Z})-4-(4-methyl-1~{H}-indol-5-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid, MAGNESIUM ION, Malate synthase G
Authors:	Krieger, I.V, Huang, H.-L, Sacchettini, J.C.
Deposit date:	2015-10-20
Release date:	2016-10-26
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (2.085 Å)
Cite:	Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange. J. Biol. Chem., 291, 2016

5E9X

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid
Descriptor:	2-chloranyl-6~{H}-thieno[2,3-b]pyrrole-5-carboxylic acid, MAGNESIUM ION, Malate synthase G
Authors:	Huang, H.-L, Sacchettini, J.C.
Deposit date:	2015-10-15
Release date:	2016-10-26
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (1.943 Å)
Cite:	Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange. J. Biol. Chem., 291, 2016

5DRC

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:	2024-10-23
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

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

6BVL

Ras:SOS:Ras in complex with a small molecule activator
Descriptor:	FORMIC ACID, GLYCEROL, GTPase HRAS, ...
Authors:	Phan, J, Abbott, J, Fesik, S.W.
Deposit date:	2017-12-13
Release date:	2018-10-24
Last modified:	2023-11-15
Method:	X-RAY DIFFRACTION (1.748 Å)
Cite:	Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling. J. Med. Chem., 61, 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

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

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

6BVM

Ras:SOS:Ras in complex with a small molecule activator
Descriptor:	(2S)-2-amino-1-[(3aR,6aS)-5-[(5-chloro-1H-indol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-indol-3-yl)propan-1-one, FORMIC ACID, GLYCEROL, ...
Authors:	Phan, J, Abbott, J, Fesik, S.W.
Deposit date:	2017-12-13
Release date:	2018-10-24
Last modified:	2023-11-15
Method:	X-RAY DIFFRACTION (1.796 Å)
Cite:	Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling. J. Med. Chem., 61, 2018

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