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PDB: 30 results

1Q4G
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2.0 Angstrom Crystal Structure of Ovine Prostaglandin H2 Synthase-1, in complex with alpha-methyl-4-biphenylacetic acid
Descriptor: 2-(1,1'-BIPHENYL-4-YL)PROPANOIC ACID, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Gupta, K, Selinksy, B.S, Kaub, C.J, Katz, A.K, Loll, P.J.
Deposit date:2003-08-03
Release date:2004-01-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:The 2.0A Resolution Crystal Structure of Prostaglandin H(2) Synthase-1: Structural Insights into an Unusual Peroxidase
J.Mol.Biol., 335, 2004
2AYL
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2.0 Angstrom Crystal Structure of Manganese Protoporphyrin IX-reconstituted Ovine Prostaglandin H2 Synthase-1 Complexed With Flurbiprofen
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLURBIPROFEN, GLYCEROL, ...
Authors:Gupta, K, Selinsky, B.S, Loll, P.J.
Deposit date:2005-09-07
Release date:2006-01-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:2.0 angstroms structure of prostaglandin H2 synthase-1 reconstituted with a manganese porphyrin cofactor.
Acta Crystallogr.,Sect.D, 62, 2006
4O1Z
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Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ...
Authors:Xu, S, Hermanson, D.J, Banerjee, S, Ghebreselasie, K, Clayton, G.M, Garavito, R.M, Marnett, L.J.
Deposit date:2013-12-16
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014
3N8Y
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Structure of Aspirin Acetylated Cyclooxygenase-1 in Complex with Diclofenac
Descriptor: 2-HYDROXYBENZOIC ACID, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sidhu, R.S.
Deposit date:2010-05-28
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Comparison of Cyclooxygenase-1 Crystal Structures: Cross-Talk between Monomers Comprising Cyclooxygenase-1 Homodimers
Biochemistry, 49, 2010
1EQG
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THE 2.6 ANGSTROM MODEL OF OVINE COX-1 COMPLEXED WITH IBUPROFEN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IBUPROFEN, PROSTAGLANDIN H2 SYNTHASE-1, ...
Authors:Loll, P.J, Selinsky, B.S, Gupta, K, Sharkey, C.T.
Deposit date:2000-04-04
Release date:2001-04-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural analysis of NSAID binding by prostaglandin H2 synthase: time-dependent and time-independent inhibitors elicit identical enzyme conformations.
Biochemistry, 40, 2001
1HT8
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THE 2.7 ANGSTROM RESOLUTION MODEL OF OVINE COX-1 COMPLEXED WITH ALCLOFENAC
Descriptor: (3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, PROSTAGLANDIN H2 SYNTHASE-1, ...
Authors:Selinsky, B.S, Gupta, K, Sharkey, C.T, Loll, P.J.
Deposit date:2000-12-29
Release date:2001-04-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural analysis of NSAID binding by prostaglandin H2 synthase: time-dependent and time-independent inhibitors elicit identical enzyme conformations.
Biochemistry, 40, 2001
2OYU
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Indomethacin-(S)-alpha-ethyl-ethanolamide bound to Cyclooxygenase-1
Descriptor: 2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-N-[(1S)-1-(HYDROXYMETHYL)PROPYL]ACETAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Harman, C.A, Garavito, R.M.
Deposit date:2007-02-23
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of enantioselective inhibition of cyclooxygenase-1 by S-alpha-substituted indomethacin ethanolamides.
J.Biol.Chem., 282, 2007
1EQH
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THE 2.7 ANGSTROM MODEL OF OVINE COX-1 COMPLEXED WITH FLURBIPROFEN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLURBIPROFEN, PROSTAGLANDIN H2 SYNTHASE-1, ...
Authors:Loll, P.J, Selinsky, B.S, Gupta, K, Sharkey, C.T.
Deposit date:2000-04-04
Release date:2001-04-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural analysis of NSAID binding by prostaglandin H2 synthase: time-dependent and time-independent inhibitors elicit identical enzyme conformations.
Biochemistry, 40, 2001
1HT5
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THE 2.75 ANGSTROM RESOLUTION MODEL OF OVINE COX-1 COMPLEXED WITH METHYL ESTER FLURBIPROFEN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLURBIPROFEN METHYL ESTER, PROSTAGLANDIN H2 SYNTHASE-1, ...
Authors:Selinsky, B.S, Gupta, K, Sharkey, C.T, Loll, P.J.
Deposit date:2000-12-28
Release date:2001-04-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural analysis of NSAID binding by prostaglandin H2 synthase: time-dependent and time-independent inhibitors elicit identical enzyme conformations.
Biochemistry, 40, 2001
5WBE
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COX-1:MOFEZOLAC COMPLEX STRUCTURE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mofezolac, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Cingolani, G, Panella, A, Perrone, M.G, Vitale, P, Smith, W.L, Scilimati, A.
Deposit date:2017-06-28
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for selective inhibition of Cyclooxygenase-1 (COX-1) by diarylisoxazoles mofezolac and 3-(5-chlorofuran-2-yl)-5-methyl-4-phenylisoxazole (P6).
Eur J Med Chem, 138, 2017
3KK6
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Crystal Structure of Cyclooxygenase-1 in complex with celecoxib
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, CITRATE ANION, ...
Authors:Sidhu, R.S.
Deposit date:2009-11-04
Release date:2009-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Coxibs interfere with the action of aspirin by binding tightly to one monomer of cyclooxygenase-1.
Proc.Natl.Acad.Sci.USA, 107, 2010
3N8W
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Crystal Structure of R120Q/Native Cyclooxygenase-1 Heterodimer mutant in complex with Flurbiprofen
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLURBIPROFEN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Sidhu, R.S.
Deposit date:2010-05-28
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Comparison of Cyclooxygenase-1 Crystal Structures: Cross-Talk between Monomers Comprising Cyclooxygenase-1 Homodimers
Biochemistry, 49, 2010
3N8X
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Crystal Structure of Cyclooxygenase-1 in Complex with Nimesulide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-NITRO-2-PHENOXYMETHANESULFONANILIDE, ...
Authors:Lee, J.Y.
Deposit date:2010-05-28
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Comparison of Cyclooxygenase-1 Crystal Structures: Cross-Talk between Monomers Comprising Cyclooxygenase-1 Homodimers
Biochemistry, 49, 2010
2OYE
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Indomethacin-(R)-alpha-ethyl-ethanolamide bound to Cyclooxygenase-1
Descriptor: 2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-N-[(1R)-1-(HYDROXYMETHYL)PROPYL]ACETAMIDE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Harman, C.A, Garavito, R.M.
Deposit date:2007-02-21
Release date:2007-07-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis of enantioselective inhibition of cyclooxygenase-1 by S-alpha-substituted indomethacin ethanolamides.
J.Biol.Chem., 282, 2007
1IGZ
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Crystal Structure of Linoleic acid Bound in the Cyclooxygenase Channel of Prostaglandin Endoperoxide H Synthase-1.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ...
Authors:Malkowski, M.G, Thuresson, E.D, Smith, W.L, Garavito, R.M.
Deposit date:2001-04-18
Release date:2001-12-12
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of eicosapentaenoic and linoleic acids in the cyclooxygenase site of prostaglandin endoperoxide H synthase-1.
J.Biol.Chem., 276, 2001
3N8Z
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Crystal Structure of Cyclooxygenase-1 in Complex with Flurbiprofen
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLURBIPROFEN, ...
Authors:Sidhu, R.S.
Deposit date:2010-05-28
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Comparison of Cyclooxygenase-1 Crystal Structures: Cross-Talk between Monomers Comprising Cyclooxygenase-1 Homodimers
Biochemistry, 49, 2010
5U6X
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COX-1:P6 COMPLEX STRUCTURE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(5-chlorofuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Cingolani, G, Panella, A, Perrone, M.G, Vitale, P, Smith, W.L, Scilimati, A.
Deposit date:2016-12-09
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Structural basis for selective inhibition of Cyclooxygenase-1 (COX-1) by diarylisoxazoles mofezolac and 3-(5-chlorofuran-2-yl)-5-methyl-4-phenylisoxazole (P6).
Eur J Med Chem, 138, 2017
1DIY
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CRYSTAL STRUCTURE OF ARACHIDONIC ACID BOUND IN THE CYCLOOXYGENASE ACTIVE SITE OF PGHS-1
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARACHIDONIC ACID, ...
Authors:Malkowski, M.G, Ginell, S.L, Smith, W.L, Garavito, R.M.
Deposit date:1999-11-30
Release date:2000-09-22
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:The productive conformation of arachidonic acid bound to prostaglandin synthase.
Science, 289, 2000
1FE2
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CRYSTAL STRUCTURE OF DIHOMO-GAMMA-LINOLEIC ACID BOUND IN THE CYCLOOXYGENASE CHANNEL OF PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE-1.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, EICOSA-8,11,14-TRIENOIC ACID, PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE-1, ...
Authors:Thuresson, E.D, Malkowski, M.G, Lakkides, K.M, Smith, W.L, Garavito, R.M.
Deposit date:2000-07-20
Release date:2001-05-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mutational and X-ray crystallographic analysis of the interaction of dihomo-gamma -linolenic acid with prostaglandin endoperoxide H synthases.
J.Biol.Chem., 276, 2001
3N8V
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Crystal Structure of Unoccupied Cyclooxygenase-1
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Sidhu, R.S.
Deposit date:2010-05-28
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Comparison of Cyclooxygenase-1 Crystal Structures: Cross-Talk between Monomers Comprising Cyclooxygenase-1 Homodimers
Biochemistry, 49, 2010
1U67
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Crystal Structure of Arachidonic Acid Bound to a Mutant of Prostagladin H Synthase-1 that Forms Predominantly 11-HPETE.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARACHIDONIC ACID, PROTOPORPHYRIN IX CONTAINING CO, ...
Authors:Harman, C.A, Rieke, C.J, Garavito, R.M, Smith, W.L.
Deposit date:2004-07-29
Release date:2004-09-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of arachidonic Acid bound to a mutant of prostaglandin endoperoxide h synthase-1 that forms predominantly 11-hydroperoxyeicosatetraenoic Acid.
J.Biol.Chem., 279, 2004
1CQE
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PROSTAGLANDIN H2 SYNTHASE-1 COMPLEX WITH FLURBIPROFEN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLURBIPROFEN, PROTEIN (PROSTAGLANDIN H2 SYNTHASE-1), ...
Authors:Picot, D, Loll, P.J, Mulichak, A.M, Garavito, R.M.
Deposit date:1999-06-15
Release date:1999-06-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The X-ray crystal structure of the membrane protein prostaglandin H2 synthase-1.
Nature, 367, 1994
1IGX
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Crystal Structure of Eicosapentanoic Acid Bound in the Cyclooxygenase Channel of Prostaglandin Endoperoxide H Synthase-1.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,8,11,14,17-EICOSAPENTAENOIC ACID, ...
Authors:Malkowski, M.G, Thuresson, E.D, Smith, W.L, Garavito, R.M.
Deposit date:2001-04-18
Release date:2001-12-12
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of eicosapentaenoic and linoleic acids in the cyclooxygenase site of prostaglandin endoperoxide H synthase-1.
J.Biol.Chem., 276, 2001
1EBV
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OVINE PGHS-1 COMPLEXED WITH SALICYL HYDROXAMIC ACID
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID SALICYLOYL-AMINO-ESTER, ...
Authors:Loll, P.J, Sharkey, C.T, O'Connor, S.J, Fitzgerald, D.J.
Deposit date:2000-01-24
Release date:2000-02-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:O-acetylsalicylhydroxamic acid, a novel acetylating inhibitor of prostaglandin H2 synthase: structural and functional characterization of enzyme-inhibitor interactions.
Mol.Pharmacol., 60, 2001
7JXT
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Ovine COX-1 in complex with the subtype-selective derivative 2a
Descriptor: 2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ko, Y, Iaselli, M, Miciaccia, M, Friedrich, L, Schneider, G, Scilimati, A, Cingolani, G.
Deposit date:2020-08-27
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Learning from Nature: From a Marine Natural Product to Synthetic Cyclooxygenase-1 Inhibitors by Automated De Novo Design.
Adv Sci, 8, 2021

 

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