3N76
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![BU of 3n76 by Molmil](/molmil-images/mine/3n76) | Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with compound 5 | Descriptor: | (1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID, 3-dehydroquinate dehydratase | Authors: | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | Deposit date: | 2010-05-26 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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4KBM
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3Q0J
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3N86
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![BU of 3n86 by Molmil](/molmil-images/mine/3n86) | Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 4 | Descriptor: | (1R,5R)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid, 3-dehydroquinate dehydratase | Authors: | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | Deposit date: | 2010-05-27 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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3PZK
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3Q0G
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![BU of 3q0g by Molmil](/molmil-images/mine/3q0g) | Crystal Structure of the Mycobacterium tuberculosis Crotonase Bound to a Reaction Intermediate Derived from Crotonyl CoA | Descriptor: | Butyryl Coenzyme A, COENZYME A, GLYCEROL, ... | Authors: | Bruning, J.B, Delgado, E, Ghosh, S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2010-12-15 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Crystal Structure of the Prokaryotic Crotonase To be Published
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4HB7
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![BU of 4hb7 by Molmil](/molmil-images/mine/4hb7) | The Structure of Dihydropteroate Synthase from Staphylococcus aureus subsp. aureus Mu50. | Descriptor: | 1,2-ETHANEDIOL, Dihydropteroate synthase | Authors: | Cuff, M.E, Holowicki, J, Jedrzejczak, R, Terwilliger, T.C, Rubin, E.J, Guinn, K, Baker, D, Ioerger, T.R, Sacchettini, J.C, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2012-09-27 | Release date: | 2012-10-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Structure of Dihydropteroate Synthase from Staphylococcus aureus subsp. aureus Mu50. TO BE PUBLISHED
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3N8N
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![BU of 3n8n by Molmil](/molmil-images/mine/3n8n) | Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 6 | Descriptor: | (1R,4R,5R)-3-(tert-butylcarbamoyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid, 3-dehydroquinate dehydratase | Authors: | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | Deposit date: | 2010-05-28 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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3N7A
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![BU of 3n7a by Molmil](/molmil-images/mine/3n7a) | Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 2 | Descriptor: | 2,3 -ANHYDRO-QUINIC ACID, 3-dehydroquinate dehydratase, GLYCEROL | Authors: | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | Deposit date: | 2010-05-26 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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3N8K
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![BU of 3n8k by Molmil](/molmil-images/mine/3n8k) | Type II dehydroquinase from Mycobacterium tuberculosis complexed with citrazinic acid | Descriptor: | 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION | Authors: | Snee, W.C, Palaninathan, S.K, Sacchettini, J.C, Dias, M.V.B, Bromfield, K.M, Payne, R, Ciulli, A, Howard, N.I, Abell, C, Blundell, T.L, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2010-05-28 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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3OEY
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![BU of 3oey by Molmil](/molmil-images/mine/3oey) | Crystal structure of InhA_T266E:NADH complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Molle, V, Gulten, G, Vilcheze, C, Veyron-Churlet, R, Zanella-Cleon, I, Sacchettini, J.C, Jacobs Jr, W.R, Kremer, L. | Deposit date: | 2010-08-13 | Release date: | 2010-12-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Phosphorylation of InhA inhibits mycolic acid biosynthesis and growth of Mycobacterium tuberculosis. Mol.Microbiol., 78, 2010
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3OEW
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![BU of 3oew by Molmil](/molmil-images/mine/3oew) | Crystal structure of wild-type InhA:NADH complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Molle, V, Gulten, G, Vilcheze, C, Veyron-Churlet, R, Zanella-Cleon, I, Sacchettini, J.C, Jacobs Jr, W.R, Kremer, L. | Deposit date: | 2010-08-13 | Release date: | 2010-12-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Phosphorylation of InhA inhibits mycolic acid biosynthesis and growth of Mycobacterium tuberculosis. Mol.Microbiol., 78, 2010
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4I7E
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![BU of 4i7e by Molmil](/molmil-images/mine/4i7e) | Crystal Structure of the Bacillus stearothermophilus Phosphofructokinase Mutant D12A in Complex with PEP | Descriptor: | 6-phosphofructokinase, PHOSPHOENOLPYRUVATE | Authors: | Mosser, R, Reddy, M, Bruning, J.B, Sacchettini, J.C, Reinhart, G.D. | Deposit date: | 2012-11-30 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Redefining the Role of the Quaternary Shift in Bacillus stearothermophilus Phosphofructokinase. Biochemistry, 52, 2013
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4KBJ
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3ONR
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![BU of 3onr by Molmil](/molmil-images/mine/3onr) | Crystal structure of the calcium chelating immunodominant antigen, calcium dodecin (Rv0379),from Mycobacterium tuberculosis with a novel calcium-binding site | Descriptor: | CALCIUM ION, FORMIC ACID, PLATINUM (II) ION, ... | Authors: | Arulandu, A, Sacchettini, J.C. | Deposit date: | 2010-08-30 | Release date: | 2011-03-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of calcium dodecin (Rv0379), from Mycobacterium tuberculosis with a unique calcium-binding site. Protein Sci., 20, 2011
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3HC7
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3Q7U
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![BU of 3q7u by Molmil](/molmil-images/mine/3q7u) | Structure of Mtb 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase (IspD) complexed with CTP | Descriptor: | 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Reddy, M.C.M, Bruning, J.B, Thurman, C, Ioerger, T.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-01-05 | Release date: | 2011-05-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Mycobacterium tuberculosis 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase (IspD): a candidate antitubercular drug target Proteins, 2011
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3QJ7
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![BU of 3qj7 by Molmil](/molmil-images/mine/3qj7) | Crystal Structure of the Mycobacterium tuberculosis Thymidylate synthase (ThyA) bound to dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, SPERMINE, Thymidylate synthase | Authors: | Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-01-28 | Release date: | 2011-06-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.504 Å) | Cite: | Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: insights into the selectivity and mode of inhibition To be Published
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3Q80
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![BU of 3q80 by Molmil](/molmil-images/mine/3q80) | Structure of Mtb 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase (IspD) Complexed with CDP-ME | Descriptor: | 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase, 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL, CHLORIDE ION, ... | Authors: | Reddy, M.C.M, Bruning, J.B, Thurman, C, Ioerger, T.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-01-05 | Release date: | 2011-05-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Mycobacterium tuberculosis 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase (IspD): a candidate antitubercular drug target Proteins, 2011
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3NO9
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![BU of 3no9 by Molmil](/molmil-images/mine/3no9) | Crystal Structure of apo fumarate hydratase from Mycobacterium tuberculosis | Descriptor: | Fumarate hydratase class II | Authors: | Li, H, Swanson, S, Yu, M, Hung, L.-W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2010-06-25 | Release date: | 2010-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal Structure of apo fumarate hydratase from Mycobacterium tuberculosis To be Published
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6DNM
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6DRQ
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6UWA
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![BU of 6uwa by Molmil](/molmil-images/mine/6uwa) | Mouse PKC C1B and C2 domains | Descriptor: | CITRIC ACID, LEAD (II) ION, Protein kinase C, ... | Authors: | Aggarwal, A, Mire, J, Sacchettini, J.C, Igumenova, T. | Deposit date: | 2019-11-04 | Release date: | 2020-12-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Mouse PKC C1B and C2 domains To Be Published
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1BM7
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1BT3
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![BU of 1bt3 by Molmil](/molmil-images/mine/1bt3) | CATECHOL OXIDASE FROM IPOMOEA BATATAS (SWEET POTATOES) IN THE NATIVE CU(II)-CU(II) STATE | Descriptor: | CU-O-CU LINKAGE, PROTEIN (CATECHOL OXIDASE) | Authors: | Klabunde, T, Eicken, C, Sacchettini, J.C, Krebs, B. | Deposit date: | 1998-09-02 | Release date: | 1999-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of a plant catechol oxidase containing a dicopper center. Nat.Struct.Biol., 5, 1998
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