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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
2Q7M
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BU of 2q7m by Molmil
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
2Q7R
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BU of 2q7r by Molmil
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
4J7Y
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BU of 4j7y by Molmil
Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis
Descriptor: D-gamma-glutamyl-(Z)-N-(carboxymethylidene)-S-[(2R)-2-hydroxy-4-phenylbutyl]-L-cysteinamide, Leukotriene C4 synthase, NICKEL (II) ION, ...
Authors:Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2013-02-14
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM.
J.Biol.Chem., 289, 2014
4JCZ
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BU of 4jcz by Molmil
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:2013-02-22
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM.
J.Biol.Chem., 289, 2014
4JRZ
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BU of 4jrz by Molmil
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
4JC7
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BU of 4jc7 by Molmil
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:2013-02-21
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM.
J.Biol.Chem., 289, 2014
4J7T
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BU of 4j7t by Molmil
Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis
Descriptor: D-gamma-glutamyl-S-(4-phenylbutyl)-L-cysteinylglycine, Leukotriene C4 synthase, NICKEL (II) ION, ...
Authors:Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2013-02-14
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.203 Å)
Cite:Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM.
J.Biol.Chem., 289, 2014
6SSR
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BU of 6ssr by Molmil
Crystal structure of Human Microsomal Glutathione S-Transferase 2 at 3.8 Angstroms resolution
Descriptor: Microsomal glutathione S-transferase 2
Authors:Thulasingam, M, Nji, E, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2019-09-09
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Crystal structures of human MGST2 reveal synchronized conformational changes regulating catalysis.
Nat Commun, 12, 2021
6SSS
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BU of 6sss by Molmil
Crystal structure of Human Microsomal Glutathione S-Transferase 2
Descriptor: 1-(8Z-hexadecenoyl)-sn-glycerol, GLYCEROL, Microsomal glutathione S-transferase 2, ...
Authors:Thulasingam, M, Nji, E, Haeggstrom, J.Z.
Deposit date:2019-09-09
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Crystal structures of human MGST2 reveal synchronized conformational changes regulating catalysis.
Nat Commun, 12, 2021
6VGI
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BU of 6vgi by Molmil
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
6SSU
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BU of 6ssu by Molmil
Crystal structure of Human Microsomal Glutathione S-Transferase 2 in complex with co-substrate Glutathione
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, GLUTATHIONE, Microsomal glutathione S-transferase 2, ...
Authors:Thulasingam, M, Haeggstrom, J.Z.
Deposit date:2019-09-09
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Crystal structures of human MGST2 reveal synchronized conformational changes regulating catalysis.
Nat Commun, 12, 2021
6SSW
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BU of 6ssw by Molmil
Crystal structure of Human Microsomal Glutathione S-Transferase 2 in complex with an Inhibitor Glutathione sulfonic acid
Descriptor: GLUTATHIONE SULFONIC ACID, Microsomal glutathione S-transferase 2
Authors:Thulasingam, M, Haeggstrom, J.Z.
Deposit date:2019-09-09
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of human MGST2 reveal synchronized conformational changes regulating catalysis.
Nat Commun, 12, 2021
6VGC
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BU of 6vgc by Molmil
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
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
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
4YL0
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BU of 4yl0 by Molmil
Crystal Structures of mPGES-1 Inhibitor Complexes
Descriptor: 2-(9-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile, 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:2020-07-29
Method:X-RAY DIFFRACTION (1.52 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
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
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
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
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