3M3G
| Crystal structure of Sm1, an elicitor of plant defence responses from Trichoderma virens. | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, Epl1 protein, ... | Authors: | Krieger, I.V, Vargas, W.A, Kenerley, C.M, Sacchettini, J.C. | Deposit date: | 2010-03-09 | Release date: | 2011-02-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Crystal structure of Sm1, an elicitor of plant defence responses from Trichoderma virens. To be Published
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6PXE
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6PX4
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3S9I
| 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
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3S9Z
| 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
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3SAD
| 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
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3SAZ
| 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
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3SB0
| 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
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6MJ1
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8SUT
| Crystal structure of YisK from Bacillus subtilis in complex with reaction product 4-Hydroxy-2-oxoglutaric acid | Descriptor: | (2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid, Fumarylacetoacetate hydrolase family protein, MANGANESE (II) ION | Authors: | Krieger, I.V, Chemelewski, V, Guo, T, Sperber, A, Herman, J, Sacchettini, J.C. | Deposit date: | 2023-05-13 | Release date: | 2023-11-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Bacillus subtilis YisK possesses oxaloacetate decarboxylase activity and exhibits Mbl-dependent localization. J.Bacteriol., 206, 2024
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8SUU
| Crystal structure of YisK from Bacillus subtilis in apo form | Descriptor: | Fumarylacetoacetate hydrolase family protein, MANGANESE (II) ION | Authors: | Krieger, I.V, Chemelewski, V, Guo, T, Sperber, A, Herman, J, Sacchettini, J.C. | Deposit date: | 2023-05-13 | Release date: | 2023-11-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Bacillus subtilis YisK possesses oxaloacetate decarboxylase activity and exhibits Mbl-dependent localization. J.Bacteriol., 206, 2024
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8SKY
| Crystal structure of YisK from Bacillus subtilis in complex with oxalate | Descriptor: | Fumarylacetoacetate hydrolase family protein, MANGANESE (II) ION, OXALATE ION | Authors: | Krieger, I.V, Chemelewski, V, Guo, T, Sperber, A, Herman, J, Sacchettini, J.C. | Deposit date: | 2023-04-20 | Release date: | 2023-11-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Bacillus subtilis YisK possesses oxaloacetate decarboxylase activity and exhibits Mbl-dependent localization. J.Bacteriol., 206, 2024
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7RB1
| Isocitrate Lyase-1 from Mycobacterium tuberculosis covalently modified by 5-descarboxy-5-nitro-D-isocitric acid | Descriptor: | (3E)-3-(hydroxyimino)propanoic acid, GLYCEROL, GLYOXYLIC ACID, ... | Authors: | Krieger, I.V, Mellott, D, Meek, T, Sacchettini, J.C. | Deposit date: | 2021-07-05 | Release date: | 2021-12-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanism-Based Inactivation of Mycobacterium tuberculosis Isocitrate Lyase 1 by (2 R ,3 S )-2-Hydroxy-3-(nitromethyl)succinic acid. J.Am.Chem.Soc., 143, 2021
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7SVT
| Mycobacterium tuberculosis 3-hydroxyl-ACP dehydratase HadAB in complex with 1,3-diarylpyrazolyl-acylsulfonamide inhibitor | Descriptor: | (3R)-hydroxyacyl-ACP dehydratase subunit HadB, 1,2-ETHANEDIOL, 3-[1-(4-bromophenyl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(methanesulfonyl)propanamide, ... | Authors: | Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2021-11-19 | Release date: | 2022-11-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 1,3-Diarylpyrazolyl-acylsulfonamides Target HadAB/BC Complex in Mycobacterium tuberculosis . Acs Infect Dis., 8, 2022
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5H8U
| 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
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6PSH
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6PSK
| Crystal structure of the complex between periplasmic domains of antiholin RI and holin T from T4 phage, in P6522 | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Antiholin, ... | Authors: | Kuznetsov, V.B, Krieger, I.V, Sacchettini, J.C. | Deposit date: | 2019-07-12 | Release date: | 2020-06-24 | Last modified: | 2020-08-12 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Structural Basis of T4 Phage Lysis Control: DNA as the Signal for Lysis Inhibition. J.Mol.Biol., 432, 2020
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6DKO
| Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2,6-F-phenyldiketoacid | Descriptor: | 4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G | Authors: | Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2018-05-30 | Release date: | 2018-09-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.556 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
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6DNP
| Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-F-3-Methyl-6-F-phenyldiketoacid | Descriptor: | (2Z)-4-(2,6-difluoro-3-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ... | Authors: | Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC), Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) | Deposit date: | 2018-06-07 | Release date: | 2018-09-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.711 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
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5DRI
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5ECV
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5H8P
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5H8M
| Crystal structure of Mycobacterium tuberculosis malate synthase C619A, G459A mutant in complex with product malate | Descriptor: | (2S)-2-hydroxybutanedioic acid, MAGNESIUM ION, 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 (2.7 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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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
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6APZ
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