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5C9X
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE IN COMPLEX WITH 2,4-DICHLORO-5-FLUOROBENZOIC ACID
Descriptor:Malate synthase G, MAGNESIUM ION, 2,4-dichloro-5-fluorobenzoic acid
Authors:Huang, H.-L., Sacchettini, J.C.
Deposit date:2015-06-29
Release date:2016-08-10
Last modified:2017-09-27
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
5CAH
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE IN COMPLEX WITH 6H-THIENO[2,3-B]PYRROLE-5-CARBOXYLIC ACID
Descriptor:Malate synthase G, MAGNESIUM ION, 6H-thieno[2,3-b]pyrrole-5-carboxylic acid
Authors:Huang, H.-L., Sacchettini, J.C.
Deposit date:2015-06-29
Release date:2016-08-10
Last modified:2017-09-27
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
5CBB
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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:Malate synthase G, MAGNESIUM ION, (5E)-5-(3H-indol-3-ylidene)-2,5-dihydro-1H-pyrazole-3-carboxylic acid
Authors:Huang, H.-L., Sacchettini, J.C.
Deposit date:2015-06-30
Release date:2016-08-10
Last modified:2017-09-27
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
5CBI
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE IN COMPLEX WITH 5-CHLORO-2-HYDROXYBENZONITRILE
Descriptor:Malate synthase G, MAGNESIUM ION, 5-chloro-2-hydroxybenzonitrile
Authors:Huang, H.-L., Sacchettini, J.C.
Deposit date:2015-06-30
Release date:2016-08-10
Last modified:2017-09-27
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
5CBJ
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE IN COMPLEX WITH 3-(PHENYLTHIO)ACRYLIC ACID
Descriptor:Malate synthase G, MAGNESIUM ION, (2E)-3-(phenylsulfanyl)prop-2-enoic acid
Authors:Huang, H.-L., Sacchettini, J.C.
Deposit date:2015-06-30
Release date:2016-08-10
Last modified:2017-09-27
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
5CC3
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE IN COMPLEX WITH 6-BROMO-1H-INDOLE-2-CARBOXYLIC ACID
Descriptor:Malate synthase G, MAGNESIUM ION, 6-bromanyl-1H-indole-2-carboxylic acid
Authors:Huang, H.-L., Sacchettini, J.C.
Deposit date:2015-07-01
Release date:2016-08-10
Last modified:2017-09-27
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
5CC5
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE IN COMPLEX WITH 1H-INDOLE-3-CARBOXYLIC ACID
Descriptor:Malate synthase G, MAGNESIUM ION, GLYOXYLIC ACID, ...
Authors:Huang, H.-L., Sacchettini, J.C.
Deposit date:2015-07-01
Release date:2016-08-10
Last modified:2017-09-27
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
5CC6
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE IN COMPLEX WITH 1H-INDOLE-5-CARBOXYLIC ACID
Descriptor:Malate synthase G, MAGNESIUM ION, 1H-indole-5-carboxylic acid
Authors:Huang, H.-L., Sacchettini, J.C.
Deposit date:2015-07-01
Release date:2016-08-10
Last modified:2017-09-27
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
5CC7
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE IN COMPLEX WITH 1H-INDOLE-6-CARBOXYLIC ACID
Descriptor:Malate synthase G, MAGNESIUM ION, 1H-indole-6-carboxylic acid
Authors:Huang, H.-L., Sacchettini, J.C.
Deposit date:2015-07-01
Release date:2016-08-10
Last modified:2017-09-27
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
5CCZ
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE IN COMPLEX WITH 3-(4-FLUOROPHENYL)-4-METHYL-1H-PYRAZOL-5-AMINE
Descriptor:Malate synthase G, 3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-amine, MAGNESIUM ION
Authors:Huang, H.-L., Sacchettini, J.C.
Deposit date:2015-07-02
Release date:2016-08-10
Last modified:2017-09-27
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
5CEW
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE IN COMPLEX WITH 2-(PYRIDIN-4-YL)THIAZOLIDINE-4-CARBOXYLIC ACID
Descriptor:Malate synthase G, MAGNESIUM ION, (2S,4S)-2-(pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid
Authors:Huang, H.-L., Sacchettini, J.C.
Deposit date:2015-07-07
Release date:2016-08-10
Last modified:2017-09-27
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
5CJM
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE IN COMPLEX WITH 4H-THIENO[3,2-B]PYRROLE-5-CARBOXYLIC ACID
Descriptor:Malate synthase G, MAGNESIUM ION, 4H-THIENO[3,2-B]PYROLE-5-CARBOXYLIC ACID
Authors:Huang, H.-L., Sacchettini, J.C.
Deposit date:2015-07-14
Release date:2016-08-10
Last modified:2017-09-27
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
5CJN
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE IN COMPLEX WITH 3-(3-OXO-3,4-DIHYDROQUINOXALIN-2-YL)ACRYLATE
Descriptor:Malate synthase G, MAGNESIUM ION, 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid
Authors:Huang, H.-L., Sacchettini, J.C.
Deposit date:2015-07-14
Release date:2016-08-10
Last modified:2017-09-27
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
5DRC
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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:Malate synthase G, MAGNESIUM ION, (2Z)-2-hydroxy-4-(1H-indol-3-yl)-4-oxobut-2-enoic acid
Authors:Huang, H.-L., Sacchettini, J.C.
Deposit date:2015-09-15
Release date:2016-09-28
Last modified:2017-11-01
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
5DRI
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE IN COMPLEX WITH 2-HYDROXY-4-(1H-INDOL-5-YL)-4-OXOBUT-2-ENOIC ACID INHIBITOR
Descriptor:Malate synthase G, MAGNESIUM ION, (2Z)-2-hydroxy-4-(1H-indol-5-yl)-4-oxobut-2-enoic acid
Authors:Krieger, I.V., Huang, H.-L., Sacchettini, J.C.
Deposit date:2015-09-15
Release date:2016-09-28
Last modified:2017-09-27
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
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE IN COMPLEX WITH 5-(5-CHLOROTHIOPHEN-2-YL)ISOXAZOLE-3-CARBOXYLIC ACID
Descriptor:Malate synthase G, MAGNESIUM ION, 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
Authors:Huang, H.-L., Sacchettini, J.C.
Deposit date:2015-09-23
Release date:2016-10-05
Last modified:2017-11-01
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
5E9X
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE IN COMPLEX WITH 2-CHLORO-6H-THIENO[2,3-B]PYRROLE-5-CARBOXYLIC ACID
Descriptor:Malate synthase G, MAGNESIUM ION, 2-chloranyl-6~{H}-thieno[2,3-b]pyrrole-5-carboxylic acid
Authors:Huang, H.-L., Sacchettini, J.C.
Deposit date:2015-10-15
Release date:2016-10-26
Last modified:2017-09-27
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
5ECV
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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:Malate synthase G, MAGNESIUM ION, (~{Z})-4-(4-methyl-1~{H}-indol-5-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid
Authors:Krieger, I.V., Huang, H.-L., Sacchettini, J.C.
Deposit date:2015-10-20
Release date:2016-10-26
Last modified:2017-01-11
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
5H8M
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE C619A, G459A MUTANT IN COMPLEX WITH PRODUCT MALATE
Descriptor:Malate synthase G, MAGNESIUM ION, (2S)-2-hydroxybutanedioic acid
Authors:Krieger, I.V., Huang, H.-L., Sacchettini, J.C.
Deposit date:2015-12-23
Release date:2016-10-26
Last modified:2017-01-11
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
5H8P
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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:2017-01-11
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
5H8U
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS WILD-TYPE MALATE SYNTHASE IN COMPLEX WITH PRODUCT MALATE
Descriptor:Malate synthase G, MAGNESIUM ION, (2S)-2-hydroxybutanedioic acid, ...
Authors:Krieger, I.V., Huang, H.-L., Sacchettini, J.C.
Deposit date:2015-12-23
Release date:2016-10-26
Last modified:2017-09-27
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
5T8G
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE IN COMPLEX WITH 2-OXO-4-((THIOPHENE-2-CARBONYL)OXY)BUTANOIC ACID
Descriptor:Malate synthase G, MAGNESIUM ION, (3E)-2-oxo-4-[(thiophen-2-ylcarbonyl)oxy]but-3-enoic acid
Authors:Huang, H.-L., Sacchetiini, J.C.
Deposit date:2016-09-07
Release date:2016-10-26
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
6APZ
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE IN COMPLEX WITH 3-HYDROXY-PHENYLDIKETOACID
Descriptor:Malate synthase G, MAGNESIUM ION, (2Z)-2-hydroxy-4-(3-hydroxyphenyl)-4-oxobut-2-enoic acid, ...
Authors:Krieger, I.V., Sacchettini, J.C., TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-08-18
Release date:2018-08-22
Last modified:2018-10-31
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
6AS6
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE IN COMPLEX WITH 3-PROP-6-ME-PHENYLDIKETOACID
Descriptor:Malate synthase G, MAGNESIUM ION, (2Z)-4-(5-cyclopropyl-2-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid, ...
Authors:Krieger, I.V., Sacchettini, J.C., TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-08-23
Release date:2018-08-29
Last modified:2018-10-31
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
6ASU
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE IN COMPLEX WITH 4-METHYL-PHENYLDIKETOACID
Descriptor:Malate synthase G, MAGNESIUM ION, (2Z)-2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoic acid, ...
Authors:Krieger, I.V., Sacchettini, J.C., TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-08-25
Release date:2018-08-29
Last modified:2018-10-31
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