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7LEO
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BU of 7leo by Molmil
C1B domain of Protein kinase C in complex with diacylglycerol-lactone (AJH-836) and 1,2-diheptanoyl-sn-glycero-3-phosphocholine
Descriptor: (4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide, Protein kinase C delta type, ZINC ION, ...
Authors:Katti, S.S, Krieger, I.
Deposit date:2021-01-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists.
Nat Commun, 13, 2022
7KND
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BU of 7knd by Molmil
C1B domain of Protein kinase C in apo form
Descriptor: Protein kinase C delta type, ZINC ION
Authors:Katti, S.S, Krieger, I.
Deposit date:2020-11-04
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists.
Nat Commun, 13, 2022
7KNJ
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BU of 7knj by Molmil
C1B domain of Protein kinase C in complex with Phorbol ester and Phosphatidylcholine
Descriptor: (4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide, Phorbol 12,13-dibutyrate, Protein kinase C delta type, ...
Authors:Katti, S.S, Krieger, I.
Deposit date:2020-11-04
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists.
Nat Commun, 13, 2022
4WPU
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BU of 4wpu by Molmil
Crystal Structure of E83A mutant of Mtb PEPCK in complex with PEP and GDP
Descriptor: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, PHOSPHOENOLPYRUVATE, ...
Authors:Kim, H.L, Sacchettini, J.C.
Deposit date:2014-10-21
Release date:2015-11-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal Structure of E83A mutant of Mtb PEPCK in complex with PEP and GDP
To Be Published
4PPR
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BU of 4ppr by Molmil
Crystal structure of Mycobacterium tuberculosis D,D-peptidase Rv3330 in complex with meropenem
Descriptor: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein DacB1
Authors:Prigozhin, D.M, Huizar, J.P, Mavrici, D, Alber, T, TB Structural Genomics Consortium (TBSGC)
Deposit date:2014-02-27
Release date:2014-11-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Subfamily-specific adaptations in the structures of two penicillin-binding proteins from Mycobacterium tuberculosis.
Plos One, 9, 2014
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
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
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
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
5CBB
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BU of 5cbb by Molmil
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
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BU of 5cjn by Molmil
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
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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
5C9U
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BU of 5c9u by Molmil
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
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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
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
5CC7
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BU of 5cc7 by Molmil
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
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BU of 5cew by Molmil
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
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BU of 5cbj by Molmil
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
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BU of 5c9r by Molmil
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
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BU of 5ccz by Molmil
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
5DX7
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BU of 5dx7 by Molmil
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
5E9X
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BU of 5e9x by Molmil
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
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BU of 5drc by Molmil
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

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数据于2024-10-30公开中

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