2Q7R
 
 | | Crystal structure of human FLAP with an iodinated analog of MK-591 | | Descriptor: | 3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4-IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID, Arachidonate 5-lipoxygenase-activating protein | | Authors: | Ferguson, A.D. | | Deposit date: | 2007-06-07 | | Release date: | 2007-08-21 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Crystal structure of inhibitor-bound human 5-lipoxygenase-activating protein.
Science, 317, 2007
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4WAB
 | | Crystal structure of mPGES1 solved by native-SAD phasing | | Descriptor: | 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide, GLUTATHIONE, Prostaglandin E synthase,Leukotriene C4 synthase | | Authors: | Weinert, T, Li, D, Howe, N, Caffrey, M, Wang, M. | | Deposit date: | 2014-08-29 | | Release date: | 2014-12-10 | | Last modified: | 2015-02-11 | | Method: | X-RAY DIFFRACTION (2.704 Å) | | Cite: | Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
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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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3HKK
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8PYV
 | | Structure of Human PS-1 GSH-analog complex, solved at wavelength 2.755 A | | Descriptor: | L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine, PALMITIC ACID, Prostaglandin E synthase | | Authors: | Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A, Vogeley, L, Brown, D.G. | | Deposit date: | 2023-07-26 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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3PCV
 | | Crystal structure analysis of human leukotriene C4 synthase at 1.9 angstrom resolution | | Descriptor: | 1,2-ETHANEDIOL, DODECYL-BETA-D-MALTOSIDE, GLUTATHIONE, ... | | Authors: | Saino, H, Ago, H, Miyano, M. | | Deposit date: | 2010-10-22 | | Release date: | 2011-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The catalytic architecture of leukotriene C4 synthase with two arginine residues
J.Biol.Chem., 286, 2011
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4BPM
 | | Crystal structure of a human integral membrane enzyme | | Descriptor: | 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide, GLUTATHIONE, PROSTAGLANDIN E SYNTHASE, ... | | Authors: | Li, D, Wang, M, Olieric, V, Caffrey, M. | | Deposit date: | 2013-05-27 | | Release date: | 2014-04-16 | | Last modified: | 2019-04-03 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Crystallizing Membrane Proteins in the Lipidic Mesophase. Experience with Human Prostaglandin E2 Synthase 1 and an Evolving Strategy.
Cryst.Growth Des., 14, 2014
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3DWW
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2H8A
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3B29
 | | Human leukotriene C4 synthase in complex with dodecyl-beta-D-selenomaltoside | | Descriptor: | GLUTATHIONE, Leukotriene C4 synthase, SULFATE ION, ... | | Authors: | Saino, H, Ago, H, Miyano, M. | | Deposit date: | 2011-07-22 | | Release date: | 2011-12-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Seleno-detergent MAD phasing of leukotriene C4 synthase in complex with dodecyl-beta-D-selenomaltoside
Acta Crystallogr.,Sect.F, 67, 2011
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4JRZ
 | | Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis | | Descriptor: | Leukotriene C4 synthase, NICKEL (II) ION, PALMITIC ACID, ... | | Authors: | Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z. | | Deposit date: | 2013-03-22 | | Release date: | 2014-01-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM.
J.Biol.Chem., 289, 2014
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4NTA
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4NTB
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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: | 2011-12-07 | | 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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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: | 2011-07-13 | | 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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4AL0
 | | Crystal structure of Human PS-1 | | Descriptor: | GLUTATHIONE, PALMITIC ACID, PROSTAGLANDIN E SYNTHASE, ... | | Authors: | Sjogren, T, Nord, J, Ek, M, Johansson, P, Liu, G, Geschwindner, S. | | Deposit date: | 2012-02-29 | | Release date: | 2013-02-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Crystal Structure of Microsomal Prostaglandin E2 Synthase Provides Insight Into Diversity in the Mapeg Superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4AL1
 | | Crystal structure of Human PS-1 GSH-analog complex | | Descriptor: | L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine, PALMITIC ACID, PROSTAGLANDIN E SYNTHASE, ... | | Authors: | Sjogren, T, Nord, J, Ek, M, Johansson, P, Liu, G, Geschwindner, S. | | Deposit date: | 2012-02-29 | | Release date: | 2013-02-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of Microsomal Prostaglandin E2 Synthase Provides Insight Into Diversity in the Mapeg Superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
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2PNO
 | | Crystal structure of human leukotriene C4 synthase | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, GLUTATHIONE, Leukotriene C4 synthase | | Authors: | Ago, H, Kanaoka, Y, Irikura, D, Lam, B.K, Shimamura, T, Austen, K.F, Miyano, M. | | Deposit date: | 2007-04-24 | | Release date: | 2007-08-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of a human membrane protein involved in cysteinyl leukotriene biosynthesis
Nature, 448, 2007
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2Q7M
 | | Crystal structure of human FLAP with MK-591 | | Descriptor: | 3-[3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID, Arachidonate 5-lipoxygenase-activating protein | | Authors: | Ferguson, A.D. | | Deposit date: | 2007-06-07 | | Release date: | 2007-08-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (4.25 Å) | | Cite: | Crystal structure of inhibitor-bound human 5-lipoxygenase-activating protein.
Science, 317, 2007
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5BQI
 | | Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain | | Descriptor: | (2-hydroxyethoxy)acetaldehyde, 2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-N-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine-3-carboxamide, GLUTATHIONE, ... | | Authors: | Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. | | Deposit date: | 2015-05-29 | | Release date: | 2016-04-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
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6VGI
 | | Crystal Structures of FLAP bound to MK-866 | | Descriptor: | 3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid, 5-lipoxygenase-activating protein, SULFATE ION | | Authors: | Ho, J.D, Lee, M.R, Rauch, C.T, Aznavour, K, Park, J.S, Luz, J.G, Antonysamy, S, Condon, B, Maletic, M, Zhang, A, Hickey, M.J, Hughes, N.E, Chandrasekhar, S, Sloan, A.V, Gooding, K, Harvey, A, Yu, X.P, Kahl, S.D, Norman, B.H. | | Deposit date: | 2020-01-08 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP).
Biochim Biophys Acta Gen Subj, 1865, 2020
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6VGC
 | | Crystal Structures of FLAP bound to DG-031 | | Descriptor: | (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid, 5-lipoxygenase-activating protein, CALCIUM ION, ... | | Authors: | Ho, J.D, Lee, M.R, Rauch, C.T, Aznavour, K, Park, J.S, Luz, J.G, Antonysamy, S, Condon, B, Maletic, M, Zhang, A, Hickey, M.J, Hughes, N.E, Chandrasekhar, S, Sloan, A.V, Gooding, K, Harvey, A, Yu, X.P, Kahl, S.D, Norman, B.H. | | Deposit date: | 2020-01-07 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP).
Biochim Biophys Acta Gen Subj, 1865, 2020
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5T37
 | | crystal structure of mPGES-1 bound to inhibitor | | Descriptor: | 2-chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}-N-(1H-imidazol-2-yl)benzamide, GLUTATHIONE, Prostaglandin E synthase, ... | | Authors: | Luz, J.G, Antonysamy, S, Partridge, K, Fisher, M. | | Deposit date: | 2016-08-24 | | Release date: | 2017-03-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.761 Å) | | Cite: | Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1.
Bioorg. Med. Chem. Lett., 27, 2017
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5T36
 | | Crystal structure of mPGES-1 bound to inhibitor | | Descriptor: | 4-chloro-2-[({(1S,2S)-2-[(2,2-dimethylpropanoyl)amino]cyclopentyl}methyl)amino]benzoic acid, GLUTATHIONE, Prostaglandin E synthase, ... | | Authors: | Luz, J.G, Antonysamy, S, Partridge, K, Fisher, M. | | Deposit date: | 2016-08-24 | | Release date: | 2017-03-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1.
Bioorg. Med. Chem. Lett., 27, 2017
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5TL9
 | | crystal structure of mPGES-1 bound to inhibitor | | Descriptor: | 2-{2-[(1S,2S)-2-{[1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}cyclopentyl]ethyl}benzoic acid, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... | | Authors: | Luz, J.G, Antonysamy, S, Partridge, K, Fisher, M. | | Deposit date: | 2016-10-10 | | Release date: | 2017-03-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1.
Bioorg. Med. Chem. Lett., 27, 2017
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