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1CX2	CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A SELECTIVE INHIBITOR, SC-558 Descriptor: 1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL-5-PARABROMOPHENYLPYRAZOLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, ... Authors: Kurumbail, R, Stallings, W. Deposit date: 1996-12-17 Release date: 1997-12-24 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents. Nature, 384, 1996
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
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
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
3QH0	X-ray crystal structure of palmitic 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, Malkowski, M.G. Deposit date: 2011-01-25 Release date: 2011-04-13 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Human cyclooxygenase-2 is a sequence homodimer that functions as a conformational heterodimer. J.Biol.Chem., 286, 2011
3RR3	Structure of (R)-flurbiprofen bound to mCOX-2 Descriptor: (2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Duggan, K.C, Hermanson, D.J, Musee, J, Prusakiewicz, J.J, Scheib, J, Carter, B.D, Banerjee, S, Oates, J.A, Marnett, L.J. Deposit date: 2011-04-28 Release date: 2011-11-09 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (2.842 Å) Cite: (R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2. Nat.Chem.Biol., 7, 2011
3QMO	X-ray crystal structure of NS-398 bound to the cyclooxygenase channel of cyclooxygenase-2 Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 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, Malkowski, M.G. Deposit date: 2011-02-04 Release date: 2011-08-03 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (3 Å) Cite: The structure of NS-398 bound to cyclooxygenase-2. J.Struct.Biol., 176, 2011
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
3TZI	X-ray crystal structure of arachidonic acid bound in the cyclooxygenase channel of G533V murine COX-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, Malkowski, M.G. Deposit date: 2011-09-27 Release date: 2012-04-25 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Investigating Substrate Promiscuity in Cyclooxygenase-2: THE ROLE OF ARG-120 AND RESIDUES LINING THE HYDROPHOBIC GROOVE. J.Biol.Chem., 287, 2012
3NT1	High resolution structure of naproxen:COX-2 complex. Descriptor: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Duggan, K.C, Musee, J, Walters, M.J, Harp, J.M, Kiefer, J.R, Oates, J.A, Marnett, L.J. Deposit date: 2010-07-02 Release date: 2010-09-01 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen. J.Biol.Chem., 285, 2010
3NTB	Structure of 6-methylthio naproxen analog bound to mCOX-2. Descriptor: (2S)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Duggan, K.C, Musee, J, Walters, M.J, Harp, J.M, Kiefer, J.R, Oates, J.A, Marnett, L.J. Deposit date: 2010-07-03 Release date: 2010-09-01 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.27 Å) Cite: Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen. J.Biol.Chem., 285, 2010
3NTG	Crystal structure of COX-2 with selective compound 23d-(R) Descriptor: (2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Wang, J.L, Limburg, D, Graneto, M.J, Carter, J.C, Talley, J.J, Kiefer, J.R. Deposit date: 2010-07-04 Release date: 2010-10-27 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.19 Å) Cite: The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life. Bioorg.Med.Chem.Lett., 20, 2010
3OLT	X-ray crystal structure of arachidonic acid bound to the cyclooxygenase channel of R513H murine COX-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, Malkowski, M.G. Deposit date: 2010-08-26 Release date: 2011-04-13 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.45 Å) Cite: The structural basis of endocannabinoid oxygenation by cyclooxygenase-2. J.Biol.Chem., 286, 2011
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
3MDL	X-ray crystal structure of 1-arachidonoyl glycerol bound to the cyclooxygenase channel of cyclooxygenase-2 Descriptor: (2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 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, Malkowski, M.G. Deposit date: 2010-03-30 Release date: 2011-04-13 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The structural basis of endocannabinoid oxygenation by cyclooxygenase-2. J.Biol.Chem., 286, 2011
3PGH	CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A NON-SELECTIVE INHIBITOR, FLURBIPROFEN Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, FLURBIPROFEN, ... Authors: Kurumbail, R, Stallings, W. Deposit date: 1996-12-18 Release date: 1997-12-24 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents. Nature, 384, 1996

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