1EQH
| 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
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3N8W
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3NIU
| Crystal structure of the complex of dimeric goat lactoperoxidase with diethylene glycol at 2.9 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Vikram, G, Singh, R.P, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2010-06-16 | Release date: | 2010-07-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Crystal structure of the complex of dimeric goat lactoperoxidase with diethylene glycol at 2.9 A resolution To be Published
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3N8Y
| 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
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3N8Z
| 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
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3NAK
| Crystal structure of the complex of goat lactoperoxidase with hypothiocyanite at 3.3 A resolution | Descriptor: | 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Vikram, G, Singh, R.P, Singh, A.K, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2010-06-02 | Release date: | 2010-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of the complex of goat lactoperoxidase with hypothiocyanite at 3.3 A resolution To be Published
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3N8X
| 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
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3N8F
| Crystal structure of the complex of goat lactoperoxidase with thiocyanate at 3.2 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lactoperoxidase, ... | Authors: | Vikram, G, Singh, A.K, Singh, R.P, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2010-05-28 | Release date: | 2010-07-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Crystal structure of the complex of goat lactoperoxidase with thiocyanate at 3.2 A resolution To be Published
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3N8V
| 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
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8ET0
| Crystal Complex of murine Cyclooxygenase-2 with alpaca nanobody F9 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IBUPROFEN, ... | Authors: | Xu, S, Banerjee, S, Uddin, M.J, Goodman, M.C, Marnett, L.J. | Deposit date: | 2022-10-15 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal complex of murine cycloxygenase-2 with alpaca nanobody F9 To Be Published
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4FM5
| X-ray structure of des-methylflurbiprofen bound to murine COX-2 | Descriptor: | (2-fluorobiphenyl-4-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Xu, S, Banerjee, S, Windsor, M.A, Marnett, L.J. | Deposit date: | 2012-06-15 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Substrate-Selective Inhibition of Cyclooxygenase-2: Development and Evaluation of Achiral Profen Probes. ACS Med Chem Lett, 3, 2012
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6OFY
| Crystal Structure of Arachidonic Acid bound to V349I murine COX-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, ARACHIDONIC ACID, ... | Authors: | Malkowski, M.G. | Deposit date: | 2019-04-01 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Arg-513 and Leu-531 Are Key Residues Governing Time-Dependent Inhibition of Cyclooxygenase-2 by Aspirin and Celebrex. Biochemistry, 58, 2019
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3KRK
| X-ray crystal structure of arachidonic acid bound in the cyclooxygenase channel of L531F murine COX-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, ... | Authors: | Vecchio, A.J, Simmons, D.M, Malkowski, M.G. | Deposit date: | 2009-11-18 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of fatty acid substrate binding to cyclooxygenase-2. J.Biol.Chem., 285, 2010
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3TZI
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4RRW
| Crystal Structure of Apo Murine Cyclooxygenase-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ... | Authors: | Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J. | Deposit date: | 2014-11-06 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.569 Å) | Cite: | Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2. J.Biol.Chem., 290, 2015
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4RS0
| Crystal Structure of Murine H90W Cyclooxygenase-2 Complexed with S-ibuprofen | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IBUPROFEN, ... | Authors: | Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J. | Deposit date: | 2014-11-06 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.807 Å) | Cite: | Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2. J.Biol.Chem., 290, 2015
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4RRZ
| Crystal Structure of Apo Murine H90W Cyclooxygenase-2 Complexed with Lumiracoxib | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ... | Authors: | Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J. | Deposit date: | 2014-11-06 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.569 Å) | Cite: | Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2. J.Biol.Chem., 290, 2015
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4Z0L
| The murine cyclooxygenase-2 complexed with a nido-dicarbaborate-containing indomethacin derivative | Descriptor: | (R)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, (S)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, S, Neumann, W, Banerjee, S, Hey-Hawkins, E, Marnett, L.J. | Deposit date: | 2015-03-26 | Release date: | 2015-06-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | nido-Dicarbaborate Induces Potent and Selective Inhibition of Cyclooxygenase-2. Chemmedchem, 11, 2016
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5JVY
| Crystal structure of S121P murine COX-2 mutant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, ... | Authors: | Orlando, B.J, Malkowski, M.G, Dong, L. | Deposit date: | 2016-05-11 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Fatty Acid Binding to the Allosteric Subunit of Cyclooxygenase-2 Relieves a Tonic Inhibition of the Catalytic Subunit. J.Biol.Chem., 291, 2016
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5JVZ
| Crystal structure of flurbiprofen bound to S121P murine COX-2 mutant | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Malkowski, M.G, Orlando, B.J. | Deposit date: | 2016-05-11 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Fatty Acid Binding to the Allosteric Subunit of Cyclooxygenase-2 Relieves a Tonic Inhibition of the Catalytic Subunit. J.Biol.Chem., 291, 2016
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5JW1
| Crystal structure of Celecoxib bound to S121P murine COX-2 mutant | 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-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, ... | Authors: | Malkowski, M.G, Orlando, B.J. | Deposit date: | 2016-05-11 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.822 Å) | Cite: | Fatty Acid Binding to the Allosteric Subunit of Cyclooxygenase-2 Relieves a Tonic Inhibition of the Catalytic Subunit. J.Biol.Chem., 291, 2016
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5COX
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5FDQ
| Murine COX-2 S530T mutant | Descriptor: | 2-[(2~{R})-2-(hydroxymethyloxy)propoxy]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lucido, M.J, Orlando, B.J, Malkowski, M.G. | Deposit date: | 2015-12-16 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry. Biochemistry, 55, 2016
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6BL3
| Crystal Complex of Cyclooxygenase-2 with indomethacin-butyldiamine-dansyl conjugate | Descriptor: | 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J. | Deposit date: | 2017-11-09 | Release date: | 2018-11-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.217 Å) | Cite: | Fluorescent indomethacin-dansyl conjugates utilize the membrane-binding domain of cyclooxygenase-2 to block the opening to the active site. J.Biol.Chem., 294, 2019
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6BL4
| Crystal Complex of Cyclooxygenase-2 with indomethacin-ethylenediamine-dansyl conjugate | Descriptor: | 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J. | Deposit date: | 2017-11-09 | Release date: | 2018-11-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Fluorescent indomethacin-dansyl conjugates utilize the membrane-binding domain of cyclooxygenase-2 to block the opening to the active site. J.Biol.Chem., 294, 2019
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