2NTJ
| Mycobacterium tuberculosis InhA bound with PTH-NAD adduct | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH, {(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-PROPYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}M ETHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | Authors: | Wang, F, Sacchettini, J.C. | Deposit date: | 2006-11-07 | Release date: | 2007-01-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism of thioamide drug action against tuberculosis and leprosy. J.Exp.Med., 204, 2007
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1Y50
| X-ray crystal structure of Bacillus stearothermophilus Histidine phosphocarrier protein (Hpr) F29W mutant domain_swapped dimer | Descriptor: | Phosphocarrier protein HPr, SULFATE ION | Authors: | Sridharan, S, Razvi, A, Scholtz, J.M, Sacchettini, J.C. | Deposit date: | 2004-12-01 | Release date: | 2005-02-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The HPr proteins from the thermophile Bacillus stearothermophilus can form domain-swapped dimers. J.Mol.Biol., 346, 2005
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1Y6X
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2PCP
| ANTIBODY FAB COMPLEXED WITH PHENCYCLIDINE | Descriptor: | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE, IMMUNOGLOBULIN | Authors: | Lim, K, Owens, S.M, Arnold, L, Sacchettini, J.C, Linthicum, D.S. | Deposit date: | 1998-06-02 | Release date: | 1999-01-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of monoclonal 6B5 Fab complexed with phencyclidine. J.Biol.Chem., 273, 1998
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3T44
| Crystal structure of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) in complex with indole glycerol phosphate (IGP) amd anthranilate | Descriptor: | 2-AMINOBENZOIC ACID, INDOLE-3-GLYCEROL PHOSPHATE, Indole-3-glycerol phosphate synthase | Authors: | Reddy, M.C.M, Bruning, J.B, Thurman, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-07-25 | Release date: | 2012-08-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Insights and Inhibition of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS): an Essential Enzyme for Tryptophan Biosynthesis To be Published
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2P9C
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2PA3
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2P9G
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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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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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3U39
| Crystal Structure of the apo Bacillus Stearothermophilus phosphofructokinase | Descriptor: | 6-phosphofructokinase, CALCIUM ION | Authors: | Mosser, R, Reddy, M.C.M, Bruning, J.B, Sacchettini, J.C, Reinhart, G.D. | Deposit date: | 2011-10-05 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7921 Å) | Cite: | Structure of the apo form of Bacillus stearothermophilus phosphofructokinase. Biochemistry, 51, 2012
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2PKM
| Crystal structure of M tuberculosis Adenosine Kinase complexed with adenosine | Descriptor: | ADENOSINE, Adenosine kinase | Authors: | Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2007-04-17 | Release date: | 2007-06-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High resolution crystal structures of Mycobacterium tuberculosis adenosine kinase: insights into the mechanism and specificity of this novel prokaryotic enzyme J.Biol.Chem., 282, 2007
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2PKK
| Crystal structure of M tuberculosis Adenosine Kinase complexed with 2-fluro adenosine | Descriptor: | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase | Authors: | Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2007-04-17 | Release date: | 2007-06-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | High resolution crystal structures of Mycobacterium tuberculosis adenosine kinase: insights into the mechanism and specificity of this novel prokaryotic enzyme J.Biol.Chem., 282, 2007
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1Y4Y
| X-ray crystal structure of Bacillus stearothermophilus Histidine phosphocarrier protein (Hpr) | Descriptor: | Phosphocarrier protein HPr, SULFATE ION | Authors: | Sridharan, S, Razvi, A, Scholtz, J.M, Sacchettini, J.C. | Deposit date: | 2004-12-01 | Release date: | 2005-02-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The HPr proteins from the thermophile Bacillus stearothermophilus can form domain-swapped dimers. J.Mol.Biol., 346, 2005
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3T78
| Crystal Structure of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) in Complex with 5-Fluoroanthranilate | Descriptor: | 2-amino-5-fluorobenzoic acid, ACETATE ION, Indole-3-glycerol phosphate synthase, ... | Authors: | Reddy, M.C.M, Bruning, J.B, Thurman, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-07-29 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Insights and Inhibition of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS): an Essential Enzyme for Tryptophan Biosynthesis To be Published
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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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2NVO
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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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1Y51
| X-ray crystal structure of Bacillus stearothermophilus Histidine phosphocarrier protein (Hpr) F29W mutant | Descriptor: | Phosphocarrier protein HPr, SULFATE ION | Authors: | Sridharan, S, Razvi, A, Scholtz, J.M, Sacchettini, J.C. | Deposit date: | 2004-12-01 | Release date: | 2005-02-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The HPr proteins from the thermophile Bacillus stearothermophilus can form domain-swapped dimers. J.Mol.Biol., 346, 2005
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1Y8T
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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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2PFC
| Structure of Mycobacterium tuberculosis Rv0098 | Descriptor: | Hypothetical protein Rv0098/MT0107, PALMITIC ACID | Authors: | Wang, F, Sacchettini, J.C. | Deposit date: | 2007-04-04 | Release date: | 2008-04-08 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of a type III thioesterase reveals the function of an operon crucial for Mtb virulence. Chem.Biol., 14, 2007
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2PKF
| Crystal structure of M tuberculosis Adenosine Kinase (apo) | Descriptor: | Adenosine kinase | Authors: | Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2007-04-17 | Release date: | 2007-06-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High resolution crystal structures of Mycobacterium tuberculosis adenosine kinase: insights into the mechanism and specificity of this novel prokaryotic enzyme J.Biol.Chem., 282, 2007
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2QZ8
| Crystal structure of Mycobacterium tuberculosis Leucine response regulatory protein (LrpA) | Descriptor: | Probable transcriptional regulatory protein | Authors: | Manchi, C.M.R, Gokulan, K, Ioerger, T, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2007-08-16 | Release date: | 2007-11-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis LrpA, a leucine-responsive global regulator associated with starvation response. Protein Sci., 17, 2008
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1YNL
| Identification of Key residues of the NC6.8 Fab antibody fragment binding to synthetic sweeterners: Crystal structure of NC6.8 co-crystalized with high potency sweetener compound SC45647 | Descriptor: | 2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID, Ig gamma heavy chain, Ig gamma light chain | Authors: | Gokulan, K, Khare, S, Ronning, D.R, Linthicum, S.D, Sacchettini, J.C, Rupp, B. | Deposit date: | 2005-01-24 | Release date: | 2005-08-16 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Cocrystal Structures of NC6.8 Fab Identify Key Interactions for High Potency Sweetener Recognition: Implications for the Design of Synthetic Sweeteners Biochemistry, 44, 2005
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