3RR3
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![BU of 3rr3 by Molmil](/molmil-images/mine/3rr3) | Structure of (R)-flurbiprofen bound to mCOX-2 | 分子名称: | (2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Duggan, K.C, Hermanson, D.J, Musee, J, Prusakiewicz, J.J, Scheib, J, Carter, B.D, Banerjee, S, Oates, J.A, Marnett, L.J. | 登録日 | 2011-04-28 | 公開日 | 2011-11-09 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.842 Å) | 主引用文献 | (R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2. Nat.Chem.Biol., 7, 2011
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3Q7D
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![BU of 3q7d by Molmil](/molmil-images/mine/3q7d) | Structure of (R)-naproxen bound to mCOX-2. | 分子名称: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Duggan, K.C, Hermanson, D.J, Musee, J, Prusakiewicz, J.J, Scheib, J, Carter, B.D, Banerjee, S, Marnett, L.J. | 登録日 | 2011-01-04 | 公開日 | 2011-11-09 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | (R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2. Nat.Chem.Biol., 7, 2011
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3SW2
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![BU of 3sw2 by Molmil](/molmil-images/mine/3sw2) | X-ray crystal structure of human FXA in complex with 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide | 分子名称: | 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X, ... | 著者 | Klei, H.E. | 登録日 | 2011-07-13 | 公開日 | 2011-11-16 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Arylsulfonamidopiperidone derivatives as a novel class of factor Xa inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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4A7I
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![BU of 4a7i by Molmil](/molmil-images/mine/4a7i) | Factor Xa in complex with a potent 2-amino-ethane sulfonamide inhibitor | 分子名称: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [2-(1--ISOPROPYL-PIPERIDIN-4-YLSULFAMOYL)-ETHYL]-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN XA, CALCIUM ION, ... | 著者 | Nazare, M, Matter, H, Will, D.W, Wagner, M, Urmann, M, Czech, J, Schreuder, H, Bauer, A, Ritter, K, Wehner, V. | 登録日 | 2011-11-14 | 公開日 | 2012-02-01 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Fragment Deconstruction of Small, Potent Factor Xa Inhibitors: Exploring the Superadditivity Energetics of Fragment Linking in Protein-Ligand Complexes. Angew.Chem.Int.Ed.Engl., 51, 2012
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3TZI
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![BU of 3tzi by Molmil](/molmil-images/mine/3tzi) | |
4E1G
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![BU of 4e1g by Molmil](/molmil-images/mine/4e1g) | |
4D90
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![BU of 4d90 by Molmil](/molmil-images/mine/4d90) | Crystal Structure of Del-1 EGF domains | 分子名称: | 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Chen, Q, Schurpf, T, Springer, T, Wang, J. | 登録日 | 2012-01-11 | 公開日 | 2012-05-30 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | 主引用文献 | The RGD finger of Del-1 is a unique structural feature critical for integrin binding. Faseb J., 26, 2012
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3TH4
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![BU of 3th4 by Molmil](/molmil-images/mine/3th4) | Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+ | 分子名称: | CALCIUM ION, CHLORIDE ION, Coagulation factor VII heavy chain, ... | 著者 | Vadivel, K, Agah, S, Cascio, D, Padmanabhan, K, Bajaj, S.P. | 登録日 | 2011-08-18 | 公開日 | 2012-08-22 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla)
Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+ To be Published
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3TH3
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![BU of 3th3 by Molmil](/molmil-images/mine/3th3) | Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+ | 分子名称: | CALCIUM ION, CHLORIDE ION, Coagulation factor VII heavy chain, ... | 著者 | Vadivel, K, Agah, S, Cascio, D, Padmanabhan, K, Bajaj, S.P. | 登録日 | 2011-08-18 | 公開日 | 2012-08-22 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla)
Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+ To be Published
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3TH2
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![BU of 3th2 by Molmil](/molmil-images/mine/3th2) | Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+ | 分子名称: | BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ... | 著者 | Vadivel, K, Agah, S, Cascio, D, Padmanabhan, K, Bajaj, S.P. | 登録日 | 2011-08-18 | 公開日 | 2012-08-22 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla)
Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+ To be Published
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4FM5
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![BU of 4fm5 by Molmil](/molmil-images/mine/4fm5) | X-ray structure of des-methylflurbiprofen bound to murine COX-2 | 分子名称: | (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, ... | 著者 | Xu, S, Banerjee, S, Windsor, M.A, Marnett, L.J. | 登録日 | 2012-06-15 | 公開日 | 2012-08-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Substrate-Selective Inhibition of Cyclooxygenase-2: Development and Evaluation of Achiral Profen Probes. ACS Med Chem Lett, 3, 2012
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3U7U
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![BU of 3u7u by Molmil](/molmil-images/mine/3u7u) | Crystal structure of extracellular region of human epidermal growth factor receptor 4 in complex with neuregulin-1 beta | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuregulin 1, Receptor tyrosine-protein kinase erbB-4 | 著者 | Liu, P, Cleveland IV, T.E, Bouyain, S, Longo, P.A, Leahy, D.J. | 登録日 | 2011-10-14 | 公開日 | 2012-08-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.03 Å) | 主引用文献 | A single ligand is sufficient to activate EGFR dimers. Proc.Natl.Acad.Sci.USA, 109, 2012
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4BDW
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![BU of 4bdw by Molmil](/molmil-images/mine/4bdw) | |
4BDX
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![BU of 4bdx by Molmil](/molmil-images/mine/4bdx) | |
4BXS
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![BU of 4bxs by Molmil](/molmil-images/mine/4bxs) | Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis | 分子名称: | 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, ... | 著者 | Lechtenberg, B.C, Murray-Rust, T.A, Johnson, D.J.D, Adams, T.E, Krishnaswamy, S, Camire, R.M, Huntington, J.A. | 登録日 | 2013-07-15 | 公開日 | 2013-07-31 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.32 Å) | 主引用文献 | Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis. Blood, 122, 2013
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4BXW
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![BU of 4bxw by Molmil](/molmil-images/mine/4bxw) | Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis | 分子名称: | COAGULATION FACTOR V, FACTOR XA, GLYCEROL, ... | 著者 | Lechtenberg, B.C, Murray-Rust, T.A, Johnson, D.J.D, Adams, T.E, Krishnaswamy, S, Camire, R.M, Huntington, J.A. | 登録日 | 2013-07-16 | 公開日 | 2013-07-31 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis. Blood, 122, 2013
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4CBZ
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![BU of 4cbz by Molmil](/molmil-images/mine/4cbz) | Notch ligand, Jagged-1, contains an N-terminal C2 domain | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN JAGGED-1, alpha-L-fucopyranose | 著者 | Chilakuri, C.R, Sheppard, D, Ilagan, M.X.G, Holt, L.R, Abbott, F, Liang, S, Kopan, R, Handford, P.A, Lea, S.M. | 登録日 | 2013-10-17 | 公開日 | 2013-11-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural Analysis Uncovers Lipid-Binding Properties of Notch Ligands Cell Rep., 5, 2013
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4CC1
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![BU of 4cc1 by Molmil](/molmil-images/mine/4cc1) | Notch ligand, Jagged-1, contains an N-terminal C2 domain | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Chilakuri, C.R, Sheppard, D, Ilagan, M.X.G, Holt, L.R, Abbott, F, Liang, S, Kopan, R, Handford, P.A, Lea, S.M. | 登録日 | 2013-10-17 | 公開日 | 2013-11-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Structural Analysis Uncovers Lipid-Binding Properties of Notch Ligands Cell Rep., 5, 2013
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4CC0
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![BU of 4cc0 by Molmil](/molmil-images/mine/4cc0) | Notch ligand, Jagged-1, contains an N-terminal C2 domain | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PROTEIN JAGGED-1, ... | 著者 | Chilakuri, C.R, Sheppard, D, Ilagan, M.X.G, Holt, L.R, Abbott, F, Liang, S, Kopan, R, Handford, P.A, Lea, S.M. | 登録日 | 2013-10-17 | 公開日 | 2013-11-27 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Structural Analysis Uncovers Lipid-Binding Properties of Notch Ligands Cell Rep., 5, 2013
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4BTU
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![BU of 4btu by Molmil](/molmil-images/mine/4btu) | Factor Xa in complex with the dual thrombin-FXa inhibitor 57. | 分子名称: | 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ... | 著者 | Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. | 登録日 | 2013-06-19 | 公開日 | 2013-12-18 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor. J.Med.Chem., 56, 2013
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4BTT
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![BU of 4btt by Molmil](/molmil-images/mine/4btt) | factor Xa in complex with the dual thrombin-FXa inhibitor 31. | 分子名称: | CALCIUM ION, COAGULATION FACTOR X, COAGULATION FACTOR X LIGHT CHAIN, ... | 著者 | Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. | 登録日 | 2013-06-19 | 公開日 | 2013-12-18 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor. J.Med.Chem., 56, 2013
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4BTI
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![BU of 4bti by Molmil](/molmil-images/mine/4bti) | factor Xa in complex with the dual thrombin-FXa inhibitor 58. | 分子名称: | 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ... | 著者 | Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. | 登録日 | 2013-06-18 | 公開日 | 2013-12-25 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor. J.Med.Chem., 56, 2013
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4M10
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![BU of 4m10 by Molmil](/molmil-images/mine/4m10) | Crystal Structure of Murine Cyclooxygenase-2 Complex with Isoxicam | 分子名称: | 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-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | 著者 | Xu, S, Hermanson, D.J, Banerjee, S, Ghebreelasie, K, Marnett, L.J. | 登録日 | 2013-08-02 | 公開日 | 2014-01-22 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | 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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4M11
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![BU of 4m11 by Molmil](/molmil-images/mine/4m11) | Crystal Structure of Murine Cyclooxygenase-2 Complex with Meloxicam | 分子名称: | 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, ... | 著者 | Xu, S, Banerjee, S, Hermanson, D.J, Marnett, L.J. | 登録日 | 2013-08-02 | 公開日 | 2014-01-22 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | 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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4OTY
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![BU of 4oty by Molmil](/molmil-images/mine/4oty) | Crystal structure of lumiracoxib bound to the apo-mouse-cyclooxygenase-2 | 分子名称: | 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, ... | 著者 | Xu, S, Windsor, M.A, Banerjee, S, Marnett, L.J. | 登録日 | 2014-02-14 | 公開日 | 2014-02-26 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.354 Å) | 主引用文献 | Exploring the molecular determinants of substrate-selective inhibition of cyclooxygenase-2 by lumiracoxib. Bioorg.Med.Chem.Lett., 23, 2013
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