1ZSN
| Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives | Descriptor: | 5-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase | Authors: | Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C. | Deposit date: | 2005-05-24 | Release date: | 2006-05-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.992 Å) | Cite: | Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives. Bioorg.Med.Chem.Lett., 15, 2005
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1ZW1
| Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives | Descriptor: | 2-(4-AMINO-2-CHLOROPHENOXY)-5-CHLOROPHENOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase | Authors: | Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C. | Deposit date: | 2005-06-03 | Release date: | 2006-06-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives. Bioorg.Med.Chem.Lett., 15, 2005
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1ZXB
| Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives | Descriptor: | 3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)-N-METHYLBENZAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase | Authors: | Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C. | Deposit date: | 2005-06-07 | Release date: | 2006-06-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives. Bioorg.Med.Chem.Lett., 15, 2005
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6U78
| Rv3722c in complex with glutamic acid | Descriptor: | Aminotransferase, GLUTAMIC ACID, GLYCEROL, ... | Authors: | Mandyoli, L, Sacchettini, J.C. | Deposit date: | 2019-08-31 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Aspartate aminotransferase Rv3722c governs aspartate-dependent nitrogen metabolism in Mycobacterium tuberculosis. Nat Commun, 11, 2020
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2FOI
| Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. | Descriptor: | 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-3-OL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase | Authors: | Freundlich, J.S, Shieh, H, Anderson, J.W, Kuo, M, Yu, M, Valderramos, J, Karagyozov, L, Tsai, H, Lucumi, E, Jacobs Jr, W.R, Schiehser, G.A, Jacobus, D.P, Fidock, D.A, Sacchettini, J.C. | Deposit date: | 2006-01-13 | Release date: | 2007-01-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray Structural Analysis of Plasmodium falciparum Enoyl Acyl Carrier Protein Reductase as a Pathway toward the Optimization of Triclosan Antimalarial Efficacy. J.Biol.Chem., 282, 2007
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6UX6
| Cruzain covalently bound by a vinylsulfone compound | Descriptor: | Cruzipain, GLYCEROL, Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-L-phenylalaninamide | Authors: | Zhai, X, Tang, S, Chenna, B.C, Meek, T.D, Sacchettini, J.C. | Deposit date: | 2019-11-06 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Cruzain covalently bound by a vinylsulfone compound To Be Published
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4QXM
| Crystal structure of the InhA:GSK_SB713 complex | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], N-(2-chloro-4-fluorobenzyl)-4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Gulten, G, Sacchettini, J.C. | Deposit date: | 2014-07-21 | Release date: | 2015-07-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.196 Å) | Cite: | N-Benzyl-4-((heteroaryl)methyl)benzamides: A New Class of Direct NADH-Dependent 2-trans Enoyl-Acyl Carrier Protein Reductase (InhA) Inhibitors with Antitubercular Activity. Chemmedchem, 11, 2016
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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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4UAQ
| Crystal structure of the accessory translocation ATPase, SecA2, from Mycobacterium tuberculosis | Descriptor: | Protein translocase subunit SecA 2 | Authors: | Swanson-Smith, S, Ioerger, T.R, Rigel, N.W, Miller, B.K, Braunstein, M, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2014-08-11 | Release date: | 2015-09-09 | Last modified: | 2016-02-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Similarities and Differences between Two Functionally Distinct SecA Proteins, Mycobacterium tuberculosis SecA1 and SecA2. J.Bacteriol., 198, 2015
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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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1KZX
| Solution structure of human intestinal fatty acid binding protein with a naturally-occurring single amino acid substitution (A54T) | Descriptor: | INTESTINAL FATTY ACID-BINDING PROTEIN (T54) | Authors: | Zhang, F, Luecke, C, Baier, L.J, Sacchettini, J.C, Hamilton, J.A. | Deposit date: | 2002-02-08 | Release date: | 2003-07-01 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of human intestinal fatty acid binding protein with a naturally-occurring single amino acid substitution (A54T) that is associated with altered lipid metabolism Biochemistry, 42, 2003
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1KZW
| Solution structure of Human Intestinal Fatty acid binding protein | Descriptor: | INTESTINAL FATTY ACID-BINDING PROTEIN (A54) | Authors: | Zhang, F, Luecke, C, Baier, L.J, Sacchettini, J.C, Hamilton, J.A. | Deposit date: | 2002-02-08 | Release date: | 2003-07-01 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of human intestinal fatty acid binding protein with a naturally-occurring single amino acid substitution (A54T) that is associated with altered lipid metabolism Biochemistry, 42, 2003
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7M7V
| Crystal Structure of Mtb Pks13 Thioesterase domain in complex with Compound 6 | Descriptor: | 5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide, Polyketide synthase Pks13 | Authors: | Aggarwal, A, Sacchettini, J.C. | Deposit date: | 2021-03-29 | Release date: | 2022-02-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Optimization of TAM16, a Benzofuran That Inhibits the Thioesterase Activity of Pks13; Evaluation toward a Preclinical Candidate for a Novel Antituberculosis Clinical Target. J.Med.Chem., 65, 2022
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7N8E
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7N8M
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7N8L
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1UBY
| STRUCTURE OF FARNESYL PYROPHOSPHATE SYNTHETASE | Descriptor: | DIMETHYLALLYL DIPHOSPHATE, FARNESYL DIPHOSPHATE SYNTHASE, MAGNESIUM ION | Authors: | Tarshis, L.C, Proteau, P, Poulter, C.D, Sacchettini, J.C. | Deposit date: | 1996-10-14 | Release date: | 1997-03-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Regulation of product chain length by isoprenyl diphosphate synthases. Proc.Natl.Acad.Sci.USA, 93, 1996
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1UBW
| STRUCTURE OF FARNESYL PYROPHOSPHATE SYNTHETASE | Descriptor: | FARNESYL DIPHOSPHATE SYNTHASE, GERANYL DIPHOSPHATE, MAGNESIUM ION | Authors: | Tarshis, L.C, Proteau, P, Poulter, C.D, Sacchettini, J.C. | Deposit date: | 1996-10-14 | Release date: | 1997-03-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Regulation of product chain length by isoprenyl diphosphate synthases. Proc.Natl.Acad.Sci.USA, 93, 1996
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1UBV
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1UBX
| STRUCTURE OF FARNESYL PYROPHOSPHATE SYNTHETASE | Descriptor: | FARNESYL DIPHOSPHATE, FARNESYL DIPHOSPHATE SYNTHASE, MAGNESIUM ION | Authors: | Tarshis, L.C, Proteau, P, Poulter, C.D, Sacchettini, J.C. | Deposit date: | 1996-10-14 | Release date: | 1997-03-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Regulation of product chain length by isoprenyl diphosphate synthases. Proc.Natl.Acad.Sci.USA, 93, 1996
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1YGY
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1HMP
| THE CRYSTAL STRUCTURE OF HUMAN HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE WITH BOUND GMP | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, HYPOXANTHINE GUANINE PHOSPHORIBOSYL-TRANSFERASE | Authors: | Eads, J.C, Scapin, G, Xu, Y, Grubmeyer, C, Sacchettini, J.C. | Deposit date: | 1994-06-03 | Release date: | 1995-06-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of human hypoxanthine-guanine phosphoribosyltransferase with bound GMP. Cell(Cambridge,Mass.), 78, 1994
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1KBA
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5C7V
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5CAH
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