5IKR
| The Structure of Mefenamic Acid Bound to Human Cyclooxygenase-2 | Descriptor: | 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIUM ION, ... | Authors: | Orlando, B.J, Malkowski, M.G. | Deposit date: | 2016-03-03 | Release date: | 2016-05-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.342 Å) | Cite: | Substrate-selective Inhibition of Cyclooxygeanse-2 by Fenamic Acid Derivatives Is Dependent on Peroxide Tone. J.Biol.Chem., 291, 2016
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5IKT
| The Structure of Tolfenamic Acid Bound to Human Cyclooxygenase-2 | Descriptor: | 2-[(3-chloro-2-methylphenyl)amino]benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Orlando, B.J, Malkowski, M.G. | Deposit date: | 2016-03-03 | Release date: | 2016-05-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.451 Å) | Cite: | Substrate-selective Inhibition of Cyclooxygeanse-2 by Fenamic Acid Derivatives Is Dependent on Peroxide Tone. J.Biol.Chem., 291, 2016
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1L1E
| Crystal Structure of Mycolic Acid Cyclopropane Synthase PcaA Complexed with S-adenosyl-L-homocysteine | Descriptor: | CARBONATE ION, S-ADENOSYL-L-HOMOCYSTEINE, mycolic acid synthase | Authors: | Huang, C.-C, Smith, C.V, Glickman, M.S, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2002-02-15 | Release date: | 2002-03-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of mycolic acid cyclopropane synthases from Mycobacterium tuberculosis. J.Biol.Chem., 277, 2002
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1N8W
| Biochemical and Structural Studies of Malate Synthase from Mycobacterium tuberculosis | Descriptor: | COENZYME A, D-MALATE, GLYOXYLIC ACID, ... | Authors: | Smith, C.V, Huang, C.C, Miczak, A, Russell, D.G, Sacchettini, J.C, Honer zu Bentrup, K, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2002-11-21 | Release date: | 2002-12-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Biochemical and structural studies of malate synthase from Mycobacterium tuberculosis J.Biol.Chem., 278, 2003
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1N8I
| Biochemical and Structural Studies of Malate Synthase from Mycobacterium tuberculosis | Descriptor: | GLYOXYLIC ACID, MAGNESIUM ION, Probable malate synthase G | Authors: | Smith, C.V, Huang, C.C, Miczak, A, Russell, D.G, Sacchettini, J.C, Honer zu Bentrup, K, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2002-11-20 | Release date: | 2002-12-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biochemical and structural studies of malate synthase from Mycobacterium tuberculosis J.Biol.Chem., 278, 2003
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3LEO
| Structure of human Leukotriene C4 synthase mutant R31Q in complex with glutathione | Descriptor: | DODECYL-BETA-D-MALTOSIDE, GLUTATHIONE, GLYCEROL, ... | Authors: | Niegowski, D, Martinez-Molina, D, Rinaldo-Matthis, A, Nordlund, P, Haeggstrom, J. | Deposit date: | 2010-01-15 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Arginine 104 is a key catalytic residue in leukotriene C4 synthase. J.Biol.Chem., 285, 2010
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2UUH
| Crystal structure of Human Leukotriene C4 Synthase in complex with substrate glutathione | Descriptor: | DODECYL-ALPHA-D-MALTOSIDE, GLUTATHIONE, LEUKOTRIENE C4 SYNTHASE, ... | Authors: | Martinez Molina, D, Wetterholm, A, Kohl, A, McCarthy, A.A, Niegowski, D, Ohlson, E, Hammarberg, T, Eshaghi, S, Haeggstrom, J.Z, Nordlund, P. | Deposit date: | 2007-03-02 | Release date: | 2007-07-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Basis for Synthesis of Inflammatory Mediators by Human Leukotriene C4 Synthase. Nature, 448, 2007
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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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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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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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1PV8
| Crystal structure of a low activity F12L mutant of human porphobilinogen synthase | Descriptor: | 3-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACID, Delta-aminolevulinic acid dehydratase, ZINC ION | Authors: | Breinig, S, Kervinen, J, Stith, L, Wasson, A.S, Fairman, R, Wlodawer, A, Zdanov, A, Jaffe, E.K. | Deposit date: | 2003-06-26 | Release date: | 2003-09-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Control of tetrapyrrole biosynthesis by alternate quaternary forms of porphobilinogen synthase. Nat.Struct.Biol., 10, 2003
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2KR5
| Solution Structure of an Acyl Carrier Protein Domain from Fungal Type I Polyketide Synthase | Descriptor: | 4'-PHOSPHOPANTETHEINE, Aflatoxin biosynthesis polyketide synthase | Authors: | Wattana-amorn, P, Williams, C, Ploskon, E, Cox, R.J, Simpson, T.J, Crosby, J, Crump, M.P. | Deposit date: | 2009-12-03 | Release date: | 2010-03-02 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Solution structure of an acyl carrier protein domain from a fungal type I polyketide synthase. Biochemistry, 49, 2010
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2VCW
| Complex structure of prostaglandin D2 synthase at 1.95A. | Descriptor: | 1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID, GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE | Authors: | Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K. | Deposit date: | 2007-09-27 | Release date: | 2008-04-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design. J.Med.Chem., 51, 2008
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2VD0
| Complex structure of prostaglandin D2 synthase at 2.2A. | Descriptor: | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}benzoic acid, GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE, ... | Authors: | Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K. | Deposit date: | 2007-09-28 | Release date: | 2008-04-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design. J.Med.Chem., 51, 2008
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2VD1
| Complex structure of prostaglandin D2 synthase at 2.25A. | Descriptor: | 4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid, GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE, ... | Authors: | Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K. | Deposit date: | 2007-09-28 | Release date: | 2008-04-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design. J.Med.Chem., 51, 2008
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2UUI
| Crystal structure of Human Leukotriene C4 Synthase | Descriptor: | DODECYL-BETA-D-MALTOSIDE, LEUKOTRIENE C4 SYNTHASE, NICKEL (II) ION, ... | Authors: | Martinez Molina, D, Wetterholm, A, Kohl, A, McCarthy, A.A, Niegowski, D, Ohlson, E, Hammarberg, T, Eshaghi, S, Haeggstrom, J.Z, Nordlund, P. | Deposit date: | 2007-03-02 | Release date: | 2007-07-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Synthesis of Inflammatory Mediators by Human Leukotriene C4 Synthase. Nature, 448, 2007
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5W8E
| The structure of a CoA-dependent acyl-homoserine lactone synthase, BjaI, with the adduct of SAH and IV-CoA | Descriptor: | (2S)-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-[(3-methylbutanoyl)amino]butanoic acid, ADENINE, Autoinducer synthase, ... | Authors: | Dong, S.-H, Nair, S.K. | Deposit date: | 2017-06-21 | Release date: | 2017-08-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular basis for the substrate specificity of quorum signal synthases. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3EUT
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3SLK
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2FR0
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2FR1
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11GS
| Glutathione s-transferase complexed with ethacrynic acid-glutathione conjugate (form ii) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ETHACRYNIC ACID, GLUTATHIONE, ... | Authors: | Oakley, A.J, Lo Bello, M, Mazzetti, A.P, Federici, G, Parker, M.W. | Deposit date: | 1997-11-03 | Release date: | 1999-01-13 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The glutathione conjugate of ethacrynic acid can bind to human pi class glutathione transferase P1-1 in two different modes. FEBS Lett., 419, 1997
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3GSS
| HUMAN GLUTATHIONE S-TRANSFERASE P1-1 IN COMPLEX WITH ETHACRYNIC ACID-GLUTATHIONE CONJUGATE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ETHACRYNIC ACID, GLUTATHIONE, ... | Authors: | Oakley, A.J, Rossjohn, J, Parker, M.W. | Deposit date: | 1996-10-29 | Release date: | 1997-11-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The three-dimensional structure of the human Pi class glutathione transferase P1-1 in complex with the inhibitor ethacrynic acid and its glutathione conjugate. Biochemistry, 36, 1997
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