6AXB
 
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6BU1
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6C6O
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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
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6DLJ
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6C8P
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6C7B
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6C2X
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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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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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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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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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5DRI
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5ECV
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4WPT
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7L92
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7LCB
 | | C1B domain of Protein kinase C in complex with prostratin 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, Protein kinase C delta type, ZINC ION, ... | | Authors: | Katti, S.S, Krieger, I.V. | | Deposit date: | 2021-01-10 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists.
Nat Commun, 13, 2022
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7LF3
 | | C1B domain of Protein kinase C in complex with diacylglycerol-lactone AJH-836 | | 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.V. | | Deposit date: | 2021-01-15 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists.
Nat Commun, 13, 2022
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7KO6
 | | C1B domain of Protein kinase C in complex with ingenol-3-angelate and 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.V. | | Deposit date: | 2020-11-06 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists.
Nat Commun, 13, 2022
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8GKF
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6WSI
 | | Intact cis-2,3-epoxysuccinic acid bound to Isocitrate Lyase-1 from Mycobacterium tuberculosis | | Descriptor: | (2R,3S)-oxirane-2,3-dicarboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Krieger, I.V, Mellott, D, Meek, T.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2020-05-01 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.749 Å) | | Cite: | Covalent Inactivation of Mycobacterium tuberculosis Isocitrate Lyase by cis -2,3-Epoxy-Succinic Acid.
Acs Chem.Biol., 16, 2021
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6VB9
 | | Covalent adduct of cis-2,3-epoxysuccinic acid with Isocitrate Lyase-1 from Mycobacterium tuberculosis | | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, Isocitrate lyase, ... | | Authors: | Krieger, I.V, Pham, T.V, Meek, T.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2019-12-18 | | Release date: | 2020-12-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.881 Å) | | Cite: | Covalent Inactivation of Mycobacterium tuberculosis Isocitrate Lyase by cis -2,3-Epoxy-Succinic Acid.
Acs Chem.Biol., 16, 2021
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5T8G
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4P0M
 | | Crystal structure of an evolved putative penicillin-binding protein homolog, Rv2911, from Mycobacterium tuberculosis | | Descriptor: | D-alanyl-D-alanine carboxypeptidase | | Authors: | Krieger, I, Yu, M, Bursey, E, Hung, L.-W, Terwilliger, T.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2014-02-21 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-27 | | 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
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