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4CUE
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BU of 4cue by Molmil
Human Notch1 EGF domains 11-13 mutant T466V
Descriptor: CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1
Authors:Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A.
Deposit date:2014-03-18
Release date:2014-05-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite: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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BU of 4cud by Molmil
Human Notch1 EGF domains 11-13 mutant fucosylated at T466
Descriptor: CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1, alpha-L-fucopyranose
Authors:Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A.
Deposit date:2014-03-18
Release date:2014-05-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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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BU of 4cuf by Molmil
Human Notch1 EGF domains 11-13 mutant T466S
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1
Authors:Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A.
Deposit date:2014-03-18
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.29 Å)
Cite: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
4CSY
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BU of 4csy by Molmil
E-selectin lectin, EGF-like and two SCR domains complexed with Sialyl Lewis X
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, E-SELECTIN, ...
Authors:Preston, R.C, Jakob, R.P, Binder, F.P.C, Sager, C.P, Ernst, B, Maier, T.
Deposit date:2014-03-11
Release date:2014-09-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:E-Selectin Ligand Complexes Adopt an Extended High-Affinity Conformation.
J.Mol.Cell.Biol., 8, 2016
4OTY
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BU of 4oty by Molmil
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
4OTJ
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BU of 4otj by Molmil
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
4CBZ
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BU of 4cbz by Molmil
Notch ligand, Jagged-1, contains an N-terminal C2 domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN JAGGED-1, alpha-L-fucopyranose
Authors:Chilakuri, C.R, Sheppard, D, Ilagan, M.X.G, Holt, L.R, Abbott, F, Liang, S, Kopan, R, Handford, P.A, Lea, S.M.
Deposit date:2013-10-17
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Analysis Uncovers Lipid-Binding Properties of Notch Ligands
Cell Rep., 5, 2013
4CC1
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BU of 4cc1 by Molmil
Notch ligand, Jagged-1, contains an N-terminal C2 domain
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Chilakuri, C.R, Sheppard, D, Ilagan, M.X.G, Holt, L.R, Abbott, F, Liang, S, Kopan, R, Handford, P.A, Lea, S.M.
Deposit date:2013-10-17
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Structural Analysis Uncovers Lipid-Binding Properties of Notch Ligands
Cell Rep., 5, 2013
4CC0
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BU of 4cc0 by Molmil
Notch ligand, Jagged-1, contains an N-terminal C2 domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PROTEIN JAGGED-1, ...
Authors:Chilakuri, C.R, Sheppard, D, Ilagan, M.X.G, Holt, L.R, Abbott, F, Liang, S, Kopan, R, Handford, P.A, Lea, S.M.
Deposit date:2013-10-17
Release date:2013-11-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural Analysis Uncovers Lipid-Binding Properties of Notch Ligands
Cell Rep., 5, 2013
4C16
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BU of 4c16 by Molmil
E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic antagonist
Descriptor: (1R,2R,3S)-3-methylcyclohexane-1,2-diol, (S)-CYCLOHEXYL LACTIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Preston, R.C, Jakob, R.P, Binder, F.P.C, Sager, C.P, Ernst, B, Maier, T.
Deposit date:2013-08-09
Release date:2014-08-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:E-Selectin Ligand Complexes Adopt an Extended High-Affinity Conformation.
J.Mol.Cell.Biol., 8, 2016
4M10
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BU of 4m10 by Molmil
Crystal Structure of Murine Cyclooxygenase-2 Complex with Isoxicam
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-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ...
Authors:Xu, S, Hermanson, D.J, Banerjee, S, Ghebreelasie, K, Marnett, L.J.
Deposit date:2013-08-02
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.01 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
4M11
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BU of 4m11 by Molmil
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
4BXW
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BU of 4bxw by Molmil
Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis
Descriptor: COAGULATION FACTOR V, FACTOR XA, GLYCEROL, ...
Authors:Lechtenberg, B.C, Murray-Rust, T.A, Johnson, D.J.D, Adams, T.E, Krishnaswamy, S, Camire, R.M, Huntington, J.A.
Deposit date:2013-07-16
Release date:2013-07-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis.
Blood, 122, 2013
4BXS
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BU of 4bxs by Molmil
Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis
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:Lechtenberg, B.C, Murray-Rust, T.A, Johnson, D.J.D, Adams, T.E, Krishnaswamy, S, Camire, R.M, Huntington, J.A.
Deposit date:2013-07-15
Release date:2013-07-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis.
Blood, 122, 2013
4BTU
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BU of 4btu by Molmil
Factor Xa in complex with the dual thrombin-FXa inhibitor 57.
Descriptor: 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, ...
Authors: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.
Deposit date:2013-06-19
Release date:2013-12-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.37 Å)
Cite: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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BU of 4btt by Molmil
factor Xa in complex with the dual thrombin-FXa inhibitor 31.
Descriptor: CALCIUM ION, COAGULATION FACTOR X, COAGULATION FACTOR X LIGHT CHAIN, ...
Authors: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.
Deposit date:2013-06-19
Release date:2013-12-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.59 Å)
Cite: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
4BTI
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BU of 4bti by Molmil
factor Xa in complex with the dual thrombin-FXa inhibitor 58.
Descriptor: 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, ...
Authors: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.
Deposit date:2013-06-18
Release date:2013-12-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
4IBL
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BU of 4ibl by Molmil
Rubidium Sites in Blood Coagulation Factor VIIa
Descriptor: BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ...
Authors:Vadivel, K, Schmidt, A, Cascio, D, Padmanabhan, K, Bajaj, S.P.
Deposit date:2012-12-08
Release date:2014-04-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of human factor VIIa-soluble tissue factor with calcium, magnesium and rubidium
Acta Crystallogr.,Sect.D, D77, 2021
4BDW
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BU of 4bdw by Molmil
The structure of the FnI-EGF tandem domain of coagulation factor XII in complex with Holmium
Descriptor: CHLORIDE ION, COAGULATION FACTOR XIIA HEAVY CHAIN, HOLMIUM ATOM
Authors:Beringer, D.X, Kroon-Batenburg, L.M.J.
Deposit date:2012-10-08
Release date:2013-02-13
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:The Structure of the Fni-Egf-Like Tandem Domain of Coagulation Factor Xii Solved Using Siras.
Acta Crystallogr.,Sect.F, 69, 2013
4BDX
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BU of 4bdx by Molmil
The structure of the FnI-EGF tandem domain of coagulation factor XII
Descriptor: ACETATE ION, COAGULATION FACTOR XIIA HEAVY CHAIN
Authors:Beringer, D.X, Kroon-Batenburg, L.M.J.
Deposit date:2012-10-08
Release date:2013-02-13
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (1.62 Å)
Cite: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
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
4E1G
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BU of 4e1g by Molmil
X-ray crystal structure of alpha-linolenic 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, Malkowski, M.G.
Deposit date:2012-03-06
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Investigating Substrate Promiscuity in Cyclooxygenase-2: THE ROLE OF ARG-120 AND RESIDUES LINING THE HYDROPHOBIC GROOVE.
J.Biol.Chem., 287, 2012
4D90
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BU of 4d90 by Molmil
Crystal Structure of Del-1 EGF domains
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Chen, Q, Schurpf, T, Springer, T, Wang, J.
Deposit date:2012-01-11
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:The RGD finger of Del-1 is a unique structural feature critical for integrin binding.
Faseb J., 26, 2012
4A7I
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BU of 4a7i by Molmil
Factor Xa in complex with a potent 2-amino-ethane sulfonamide inhibitor
Descriptor: 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [2-(1--ISOPROPYL-PIPERIDIN-4-YLSULFAMOYL)-ETHYL]-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN XA, CALCIUM ION, ...
Authors:Nazare, M, Matter, H, Will, D.W, Wagner, M, Urmann, M, Czech, J, Schreuder, H, Bauer, A, Ritter, K, Wehner, V.
Deposit date:2011-11-14
Release date:2012-02-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuregulin 1, Receptor tyrosine-protein kinase erbB-4
Authors:Liu, P, Cleveland IV, T.E, Bouyain, S, Longo, P.A, Leahy, D.J.
Deposit date:2011-10-14
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:A single ligand is sufficient to activate EGFR dimers.
Proc.Natl.Acad.Sci.USA, 109, 2012

221051

数据于2024-06-12公开中

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