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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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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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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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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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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6DNM
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3T55
 | | Crystal structure of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) in complex with Phenoxymethyl Benzoic Acid (PMBA) | | Descriptor: | 3-(phenoxymethyl)benzoic acid, Indole-3-glycerol phosphate synthase, MALONATE ION, ... | | Authors: | Reddy, M.C.M, Bruning, J.B, Thurman, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2011-07-26 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.06 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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3T40
 | | Crystal Structure of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) complex with N-2-Carboxyphenyl Glycine (CPG) | | Descriptor: | 2-[(carboxymethyl)amino]benzoic acid, Indole-3-glycerol phosphate synthase, SULFATE ION | | 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: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.752 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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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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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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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
 | | 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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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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1DVT
 | | CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH FLURBIPROFEN | | Descriptor: | FLURBIPROFEN, TRANSTHYRETIN | | Authors: | Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C. | | Deposit date: | 2000-01-22 | | Release date: | 2001-01-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
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1DVY
 | | CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-4,6-DICARBOXYLIC ACID | | Descriptor: | N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-4,6-DICARBOXYLIC ACID, TRANSTHYRETIN | | Authors: | Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C. | | Deposit date: | 2000-01-23 | | Release date: | 2001-01-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
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1BT2
 | | CATECHOL OXIDASE FROM IPOMOEA BATATAS (SWEET POTATOES) IN THE REDUCED CU(I)-CU(I) 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 (2.7 Å) | | Cite: | Crystal structure of a plant catechol oxidase containing a dicopper center.
Nat.Struct.Biol., 5, 1998
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1DQZ
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1DVU
 | | CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH DIBENZOFURAN-4,6-DICARBOXYLIC ACID | | Descriptor: | DIBENZOFURAN-4,6-DICARBOXYLIC ACID, TRANSTHYRETIN | | Authors: | Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C. | | Deposit date: | 2000-01-22 | | Release date: | 2001-01-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
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1DVX
 | | CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH DICLOFENAC | | Descriptor: | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, TRANSTHYRETIN | | Authors: | Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C. | | Deposit date: | 2000-01-23 | | Release date: | 2001-01-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
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1DVZ
 | | CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | | Descriptor: | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID, TRANSTHYRETIN | | Authors: | Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C. | | Deposit date: | 2000-01-23 | | Release date: | 2001-01-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
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1DGL
 | | LECTIN FROM DIOCLEA GRANDIFLORA COMPLEXED TO TRIMANNOSIDE | | Descriptor: | CALCIUM ION, LECTIN, MANGANESE (II) ION, ... | | Authors: | Rozwarski, D.A, Swami, B.M, Brewer, C.F, Sacchettini, J.C. | | Deposit date: | 1998-02-10 | | Release date: | 1999-06-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the lectin from Dioclea grandiflora complexed with core trimannoside of asparagine-linked carbohydrates.
J.Biol.Chem., 273, 1998
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1DQY
 | | CRYSTAL STRUCTURE OF ANTIGEN 85C FROM MYCOBACTERIUM TUBERCULOSIS WITH DIETHYL PHOSPHATE INHIBITOR | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, DIETHYL PHOSPHONATE, PROTEIN (ANTIGEN 85-C) | | Authors: | Ronning, D.R, Klabunde, T, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2000-01-05 | | Release date: | 2000-07-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystal structure of the secreted form of antigen 85C reveals potential targets for mycobacterial drugs and vaccines.
Nat.Struct.Biol., 7, 2000
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1AM2
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1DVQ
 | | CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN | | Descriptor: | TRANSTHYRETIN | | Authors: | Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C. | | Deposit date: | 2000-01-22 | | Release date: | 2001-01-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
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