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4C16
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E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic antagonist
分子名称: (1R,2R,3S)-3-methylcyclohexane-1,2-diol, (S)-CYCLOHEXYL LACTIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Preston, R.C, Jakob, R.P, Binder, F.P.C, Sager, C.P, Ernst, B, Maier, T.
登録日2013-08-09
公開日2014-08-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献E-Selectin Ligand Complexes Adopt an Extended High-Affinity Conformation.
J.Mol.Cell.Biol., 8, 2016
4D0F
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Human Notch1 EGF domains 11-13 mutant T466A
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1
著者Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A.
登録日2014-04-25
公開日2014-05-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands.
Proc.Natl.Acad.Sci.USA, 111, 2014
4D0E
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Human Notch1 EGF domains 11-13 mutant GlcNAc-fucose disaccharide modified at T466
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-L-fucopyranose, CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1
著者Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A.
登録日2014-04-25
公開日2014-05-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands.
Proc.Natl.Acad.Sci.USA, 111, 2014
4CUD
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Human Notch1 EGF domains 11-13 mutant fucosylated at T466
分子名称: CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1, alpha-L-fucopyranose
著者Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A.
登録日2014-03-18
公開日2014-05-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands.
Proc.Natl.Acad.Sci.USA, 111, 2014
4CUE
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BU of 4cue by Molmil
Human Notch1 EGF domains 11-13 mutant T466V
分子名称: CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1
著者Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A.
登録日2014-03-18
公開日2014-05-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands.
Proc.Natl.Acad.Sci.USA, 111, 2014
4CUF
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Human Notch1 EGF domains 11-13 mutant T466S
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1
著者Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A.
登録日2014-03-18
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands.
Proc.Natl.Acad.Sci.USA, 111, 2014
4IBL
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Rubidium Sites in Blood Coagulation Factor VIIa
分子名称: BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ...
著者Vadivel, K, Schmidt, A, Cascio, D, Padmanabhan, K, Bajaj, S.P.
登録日2012-12-08
公開日2014-04-16
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of human factor VIIa-soluble tissue factor with calcium, magnesium and rubidium
Acta Crystallogr.,Sect.D, D77, 2021
4OTY
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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
4M10
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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
4M11
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BU of 4m11 by Molmil
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
4BTI
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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
4BTT
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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
4BTU
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BU of 4btu by Molmil
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
4CC0
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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
4CBZ
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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
4CC1
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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
4BXS
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BU of 4bxs by Molmil
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
4BXW
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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
4BDX
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BU of 4bdx by Molmil
The structure of the FnI-EGF tandem domain of coagulation factor XII
分子名称: ACETATE ION, COAGULATION FACTOR XIIA HEAVY CHAIN
著者Beringer, D.X, Kroon-Batenburg, L.M.J.
登録日2012-10-08
公開日2013-02-13
最終更新日2017-07-12
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献The Structure of the Fni-Egf-Like Tandem Domain of Coagulation Factor Xii Solved Using Siras.
Acta Crystallogr.,Sect.F, 69, 2013
4BDW
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The structure of the FnI-EGF tandem domain of coagulation factor XII in complex with Holmium
分子名称: CHLORIDE ION, COAGULATION FACTOR XIIA HEAVY CHAIN, HOLMIUM ATOM
著者Beringer, D.X, Kroon-Batenburg, L.M.J.
登録日2012-10-08
公開日2013-02-13
最終更新日2017-07-12
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献The Structure of the Fni-Egf-Like Tandem Domain of Coagulation Factor Xii Solved Using Siras.
Acta Crystallogr.,Sect.F, 69, 2013
4FM5
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BU of 4fm5 by Molmil
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
3U7U
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BU of 3u7u by Molmil
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
3TH4
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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
3TH3
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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
3TH2
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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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