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4WAB
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BU of 4wab by Molmil
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
3HKK
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BU of 3hkk by Molmil
Structure of human Leukotriene C4 synthase in complex with glutathione sulfonate
Descriptor: GLUTATHIONE SULFONIC ACID, Leukotriene C4 synthase, PALMITIC ACID, ...
Authors:Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2009-05-24
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Pre-steady state kinetics of human Leukotriene C4 synthase
To be Published
2H8A
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BU of 2h8a by Molmil
Structure of Microsomal Glutathione Transferase 1 in Complex with Glutathione
Descriptor: GLUTATHIONE, Microsomal glutathione S-transferase 1
Authors:Hebert, H.
Deposit date:2006-06-07
Release date:2007-05-22
Last modified:2024-02-14
Method:ELECTRON CRYSTALLOGRAPHY (3.2 Å)
Cite:Structural basis for detoxification and oxidative stress protection in membranes.
J.Mol.Biol., 360, 2006
6R7D
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BU of 6r7d by Molmil
Crystal structure of LTC4S in complex with AZ13690257
Descriptor: (1~{S},2~{S})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, Leukotriene C4 synthase, ...
Authors:Kack, H, Ek, M.
Deposit date:2019-03-28
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic Acid (AZD9898) as a New Treatment for Asthma.
J.Med.Chem., 62, 2019
8PYV
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BU of 8pyv by Molmil
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
3LEO
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BU of 3leo by Molmil
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
3B29
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BU of 3b29 by Molmil
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
3PCV
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BU of 3pcv by Molmil
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
3DWW
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BU of 3dww by Molmil
Electron crystallographic structure of human microsomal prostaglandin E synthase 1
Descriptor: GLUTATHIONE, Prostaglandin E synthase
Authors:Hebert, H, Jegerschold, C.
Deposit date:2008-07-23
Release date:2009-07-28
Last modified:2024-03-20
Method:ELECTRON CRYSTALLOGRAPHY (3.5 Å)
Cite:Structural basis for induced formation of the inflammatory mediator prostaglandin E2
Proc.Natl.Acad.Sci.USA, 105, 2008
5BQH
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BU of 5bqh by Molmil
Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain
Descriptor: (2-hydroxyethoxy)acetaldehyde, GLUTATHIONE, N-[4-(4-chlorophenyl)-1H-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide, ...
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 (1.601 Å)
Cite:Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
5BQG
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BU of 5bqg by Molmil
Crystal Structure of mPGES-1 Bound to an Inhibitor
Descriptor: 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide, DI(HYDROXYETHYL)ETHER, 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 (1.436 Å)
Cite:Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
5BQI
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BU of 5bqi by Molmil
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
4AL0
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BU of 4al0 by Molmil
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
5T36
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BU of 5t36 by Molmil
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
5T37
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BU of 5t37 by Molmil
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
4AL1
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BU of 4al1 by Molmil
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
5TL9
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BU of 5tl9 by Molmil
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
4BPM
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BU of 4bpm by Molmil
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
4NTF
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BU of 4ntf by Molmil
Mus Musculus LTC4 synthase in S-hexyl-GSH complex form
Descriptor: Leukotriene C4 synthase, NICKEL (II) ION, PALMITIC ACID, ...
Authors:Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2013-12-02
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:To be published
To be Published
4NTA
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BU of 4nta by Molmil
Mus Musculus LTC4 synthase in apo form
Descriptor: Leukotriene C4 synthase, PALMITIC ACID, SULFATE ION
Authors:Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2013-12-02
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mus Musculus LTC4 synthase in apo form
To be Published
4NTB
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BU of 4ntb by Molmil
Mus Musculus LTC4 synthase in GSH complex form
Descriptor: GLUTATHIONE, Leukotriene C4 synthase, NICKEL (II) ION, ...
Authors:Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2013-12-02
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mus Musculus LTC4 synthase in GSH complex form
To be Published
4YK5
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BU of 4yk5 by Molmil
Crystal Structures of mPGES-1 Inhibitor Complexes
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1H-indol-2-yl]-2,2-dimethylpropanoic acid, GLUTATHIONE, ...
Authors:Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J.
Deposit date:2015-03-04
Release date:2015-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics.
J.Med.Chem., 58, 2015
5HV9
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BU of 5hv9 by Molmil
Human LTC4S mutant-S36E
Descriptor: GLUTATHIONE, Leukotriene C4 synthase, SULFATE ION
Authors:Thulasingam, M, Ahmad, H.R.S, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2016-01-28
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Phosphorylation of Leukotriene C4 Synthase at Serine 36 Impairs Catalytic Activity.
J.Biol.Chem., 291, 2016
4YL1
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BU of 4yl1 by Molmil
Crystal Structures of mPGES-1 Inhibitor Complexes
Descriptor: 5-(4-tert-butylphenyl)-1-[4-(propan-2-yloxy)phenyl]-1H-indole-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ...
Authors:Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J.
Deposit date:2015-03-04
Release date:2015-06-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics.
J.Med.Chem., 58, 2015
4YL3
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BU of 4yl3 by Molmil
Crystal Structures of mPGES-1 Inhibitor Complexes
Descriptor: 5-[4-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-{[4-(trifluoromethyl)phenyl]ethynyl}pyridine, GLUTATHIONE, Prostaglandin E synthase, ...
Authors:Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J.
Deposit date:2015-03-04
Release date:2015-07-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics.
J.Med.Chem., 58, 2015

 

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