4M11
| Crystal Structure of Murine Cyclooxygenase-2 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, Banerjee, S, Hermanson, D.J, Marnett, L.J. | Deposit date: | 2013-08-02 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.45 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
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6WXV
| CryoEM structure of mouse DUOX1-DUOXA1 complex in the presence of NADPH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Sun, J. | Deposit date: | 2020-05-12 | Release date: | 2020-09-02 | Last modified: | 2021-03-17 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structures of mouse DUOX1-DUOXA1 provide mechanistic insights into enzyme activation and regulation. Nat.Struct.Mol.Biol., 27, 2020
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6WXU
| CryoEM structure of mouse DUOX1-DUOXA1 complex in the dimer-of-dimer state | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Sun, J. | Deposit date: | 2020-05-12 | Release date: | 2020-09-02 | Last modified: | 2021-03-17 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structures of mouse DUOX1-DUOXA1 provide mechanistic insights into enzyme activation and regulation. Nat.Struct.Mol.Biol., 27, 2020
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6WXR
| CryoEM structure of mouse DUOX1-DUOXA1 complex in the absence of NADPH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dual oxidase 1, Dual oxidase maturation factor 1, ... | Authors: | Sun, J. | Deposit date: | 2020-05-11 | Release date: | 2020-09-02 | Last modified: | 2021-03-17 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of mouse DUOX1-DUOXA1 provide mechanistic insights into enzyme activation and regulation. Nat.Struct.Mol.Biol., 27, 2020
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1CVU
| CRYSTAL STRUCTURE OF ARACHIDONIC ACID BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF 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, ARACHIDONIC ACID, ... | Authors: | Kiefer, J.R, Pawlitz, J.L, Moreland, K.T, Stegeman, R.A, Gierse, J.K, Stevens, A.M, Goodwin, D.C, Rowlinson, S.W, Marnett, L.J, Stallings, W.C, Kurumbail, R.G. | Deposit date: | 1999-08-24 | Release date: | 2000-05-16 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into the stereochemistry of the cyclooxygenase reaction. Nature, 405, 2000
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1CX2
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1DDX
| CRYSTAL STRUCTURE OF A MIXTURE OF ARACHIDONIC ACID AND PROSTAGLANDIN BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2: PROSTAGLANDIN STRUCTURE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-YL]-HEPT-5-ENOIC ACID, ... | Authors: | Kiefer, J.R, Pawlitz, J.L, Moreland, K.T, Stegeman, R.A, Gierse, J.K, Stevens, A.M, Goodwin, D.C, Rowlinson, S.W, Marnett, L.J, Stallings, W.C, Kurumbail, R.G. | Deposit date: | 1999-11-11 | Release date: | 2000-05-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insights into the stereochemistry of the cyclooxygenase reaction. Nature, 405, 2000
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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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7D3E
| Cryo-EM structure of human DUOX1-DUOXA1 in low-calcium state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dual oxidase 1, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Chen, L, Wu, J.X. | Deposit date: | 2020-09-19 | Release date: | 2020-12-09 | Last modified: | 2021-06-23 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structures of human dual oxidase 1 complex in low-calcium and high-calcium states. Nat Commun, 12, 2021
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7D3F
| Cryo-EM structure of human DUOX1-DUOXA1 in high-calcium state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Dual oxidase 1, ... | Authors: | Chen, L, Wu, J.X. | Deposit date: | 2020-09-19 | Release date: | 2020-12-09 | Last modified: | 2021-06-23 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structures of human dual oxidase 1 complex in low-calcium and high-calcium states. Nat Commun, 12, 2021
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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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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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3HS5
| X-ray crystal structure of arachidonic acid bound to the cyclooxygenase channel of cyclooxygenase-2 | 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: | Vecchio, A.J, Simmons, D.M, Malkowski, M.G. | Deposit date: | 2009-06-10 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of fatty acid substrate binding to cyclooxygenase-2. J.Biol.Chem., 285, 2010
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3HS6
| X-ray crystal structure of eicosapentaenoic acid bound to the cyclooxygenase channel of cyclooxygenase-2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vecchio, A.J, Simmons, D.M, Malkowski, M.G. | Deposit date: | 2009-06-10 | 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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3HS7
| X-ray crystal structure of docosahexaenoic acid bound to the cyclooxygenase channel of cyclooxygenase-2 | 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: | Vecchio, A.J, Simmons, D.M, Malkowski, M.G. | Deposit date: | 2009-06-10 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis of fatty acid substrate binding to cyclooxygenase-2. J.Biol.Chem., 285, 2010
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3OLT
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3OLU
| X-ray crystal structure of 1-arachidonoyl glycerol bound to the cyclooxygenase channel of R513H murine COX-2 | Descriptor: | (2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vecchio, A.J, Malkowski, M.G. | Deposit date: | 2010-08-26 | Release date: | 2011-04-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The structural basis of endocannabinoid oxygenation by cyclooxygenase-2. J.Biol.Chem., 286, 2011
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3PGH
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4OTJ
| The complex of murine cyclooxygenase-2 with a conjugate of indomefathin and podophyllotoxin, N-{(succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl}acetamide | Descriptor: | (5S,5aS,8aS,9S)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-{[4-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}amino)butyl]amino}-4-oxobutanoate, 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: | 2014-02-13 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Antitumor Activity of Cytotoxic Cyclooxygenase-2 Inhibitors. Acs Chem.Biol., 11, 2016
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4OTY
| Crystal structure of lumiracoxib bound to the apo-mouse-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, Windsor, M.A, Banerjee, S, Marnett, L.J. | Deposit date: | 2014-02-14 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.354 Å) | Cite: | Exploring the molecular determinants of substrate-selective inhibition of cyclooxygenase-2 by lumiracoxib. Bioorg.Med.Chem.Lett., 23, 2013
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3QH0
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3QMO
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3Q7D
| Structure of (R)-naproxen bound to mCOX-2. | Descriptor: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Duggan, K.C, Hermanson, D.J, Musee, J, Prusakiewicz, J.J, Scheib, J, Carter, B.D, Banerjee, S, Marnett, L.J. | Deposit date: | 2011-01-04 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | (R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2. Nat.Chem.Biol., 7, 2011
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4PH9
| The structure of Ibuprofen bound to cyclooxygenase-2 | 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: | Orlando, B.J, Lucido, M.J, Malkowski, M.G. | Deposit date: | 2014-05-05 | Release date: | 2014-11-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | The structure of ibuprofen bound to cyclooxygenase-2. J.Struct.Biol., 189, 2015
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