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PDB: 6634 件
2W54
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Crystal Structure of Xanthine Dehydrogenase from Rhodobacter capsulatus in Complex with Bound Inhibitor Pterin-6-aldehyde
分子名称: 6-HYDROXYMETHYLPTERIN, BARIUM ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Doebbler, J.A, Truglio, J.J, Leimkuhler, S, Kisker, C.
登録日2008-12-04
公開日2008-12-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Mechanism of Substrate and Inhibitor Binding of Rhodobacter Capsulatus Xanthine Dehydrogenase.
J.Biol.Chem., 284, 2009
2WB9
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Fasciola hepatica sigma class GST
分子名称: BROMIDE ION, CYSTEINE, GLUTATHIONE, ...
著者Line, K, Isupov, M.N, LaCourse, J, Brophy, P.M, Littlechild, J.A.
登録日2009-02-23
公開日2010-03-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献The 1.6 Angstrom Crystal Structure of the Fasciola Hepatica Sigma Class Gst
To be Published
1B2R
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FERREDOXIN-NADP+ REDUCTASE (MUTATION: E 301 A)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, PROTEIN (FERREDOXIN-NADP+ REDUCTASE), SULFATE ION
著者Hermoso, J.A, Mayoral, T, Medina, M, Martinez-Ripoll, M, Martinez-Julvez, M, Sanz-Aparicio, J, Gomez-Moreno, C.
登録日1998-11-27
公開日1999-12-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of the catalytic role of Glu301 in Anabaena PCC 7119 ferredoxin-NADP+ reductase revealed by x-ray crystallography.
Proteins, 38, 2000
2WDU
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Fasciola hepatica sigma class GST
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, GLUTATHIONE, ...
著者Line, K, Isupov, M.N, LaCourse, E.J, Brophy, P.M, Littlechild, J.A.
登録日2009-03-26
公開日2010-04-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献The 1.6 Angstrom Crystal Structure of the Fasciola Hepatica Sigma Class Gst
To be Published
1WB4
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S954A mutant of the feruloyl esterase module from clostridium thermocellum complexed with sinapinate
分子名称: ACETIC ACID, CADMIUM ION, ENDO-1,4-BETA-XYLANASE Y, ...
著者Tarbouriech, N, Prates, J.A, Fontes, C, Davies, G.J.
登録日2004-10-30
公開日2005-02-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Molecular Determinants of Substrate Specificity in the Feruloyl Esterase Module of Xylanase 10B from Clostridium Thermocellum
Acta Crystallogr.,Sect.D, 61, 2005
2VTL
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design
分子名称: CELL DIVISION PROTEIN KINASE 2, N-phenyl-1H-pyrazole-3-carboxamide
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTN
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: 4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTO
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: CELL DIVISION PROTEIN KINASE 2, N-(4-FLUOROPHENYL)-4-[(PHENYLCARBONYL)AMINO]-1H-PYRAZOLE-3-CARBOXAMIDE
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2W17
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CDK2 in complex with the imidazole pyrimidine amide, compound (S)-8b
分子名称: ACETATE ION, CELL DIVISION PROTEIN KINASE 2, N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine
著者Jones, C.D, Andrews, D.M, Barker, A.J, Blades, K, Daunt, P, East, S, Geh, C, Graham, M.A, Johnson, K.M, Loddick, S.A, McFarland, H.M, McGregor, A, Moss, L, Rudge, D.A, Simpson, P.B, Swain, M.L, Tam, K.Y, Tucker, J.A, Walker, M, Brassington, C, Haye, H, McCall, E.
登録日2008-10-15
公開日2008-11-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Discovery of Azd5597, a Potent Imidazole Pyrimidine Amide Cdk Inhibitor Suitable for Intravenous Dosing.
Bioorg.Med.Chem.Lett., 18, 2008
2VTS
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BU of 2vts by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: 5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE, CELL DIVISION PROTEIN KINASE 2
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTR
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BU of 2vtr by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design
分子名称: 5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, CELL DIVISION PROTEIN KINASE 2
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTQ
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: CELL DIVISION PROTEIN KINASE 2, {[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTI
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: CELL DIVISION PROTEIN KINASE 2, N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
1YK8
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Cathepsin K complexed with a cyanamide-based inhibitor
分子名称: Cathepsin K, TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINECARBOXYLATE
著者Barrett, D.G, Deaton, D.N, Hassell, A.M, McFadyen, R.B, Miller, A.B, Miller, L.R, Payne, J.A, Shewchuk, L.M, Willard, D.H, Wright, L.L.
登録日2005-01-17
公開日2005-07-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Acyclic cyanamide-based inhibitors of cathepsin K.
Bioorg.Med.Chem.Lett., 15, 2005
2W1D
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BU of 2w1d by Molmil
Structure determination of Aurora Kinase in complex with inhibitor
分子名称: 2-(1H-pyrazol-3-yl)-1H-benzimidazole, SERINE/THREONINE-PROTEIN KINASE 6
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
1PFE
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Echinomycin-(gcgtacgc)2 complex
分子名称: 2-CARBOXYQUINOXALINE, 5'-D(*GP*CP*GP*TP*AP*CP*GP*C)-3', CHLORIDE ION, ...
著者Cuesta-Seijo, J.A.
登録日2003-05-26
公開日2004-06-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structures of Complexes between Echinomycin and Duplex DNA.
Acta Crystallogr.,Sect.D, 61, 2005
1YKD
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Crystal Structure of the Tandem GAF Domains from a Cyanobacterial Adenylyl Cyclase: Novel Modes of Ligand-Binding and Dimerization
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, adenylate cyclase
著者Martinez, S.E, Bruder, S, Schultz, A, Zheng, N, Schultz, J.E, Beavo, J.A, Linder, J.U.
登録日2005-01-17
公開日2005-02-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the tandem GAF domains from a cyanobacterial adenylyl cyclase: Modes of ligand binding and dimerization
Proc.Natl.Acad.Sci.USA, 102, 2005
1AY2
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BU of 1ay2 by Molmil
STRUCTURE OF THE FIBER-FORMING PROTEIN PILIN AT 2.6 ANGSTROMS RESOLUTION
分子名称: HEPTANE-1,2,3-TRIOL, PLATINUM (II) ION, TYPE 4 PILIN, ...
著者Forest, K.T, Parge, H.E, Tainer, J.A.
登録日1997-11-13
公開日1998-04-29
最終更新日2023-02-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the fibre-forming protein pilin at 2.6 A resolution.
Nature, 378, 1995
2W1H
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BU of 2w1h by Molmil
Fragment-Based Discovery of the Pyrazol-4-yl urea (AT9283), a Multi- targeted Kinase Inhibitor with Potent Aurora Kinase Activity
分子名称: CELL DIVISION PROTEIN KINASE 2, N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
1B38
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HUMAN CYCLIN-DEPENDENT KINASE 2
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PROTEIN (CELL DIVISION PROTEIN KINASE 2)
著者Brown, N.R, Noble, M.E.M, Lawrie, A.M, Morris, M.C, Tunnah, P, Divita, G, Johnson, L.N, Endicott, J.A.
登録日1998-12-17
公開日1998-12-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Effects of phosphorylation of threonine 160 on cyclin-dependent kinase 2 structure and activity.
J.Biol.Chem., 274, 1999
1PCS
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BU of 1pcs by Molmil
THE 2.15 A CRYSTAL STRUCTURE OF A TRIPLE MUTANT PLASTOCYANIN FROM THE CYANOBACTERIUM SYNECHOCYSTIS SP. PCC 6803
分子名称: COPPER (II) ION, PLASTOCYANIN
著者Romero, A, De La Cerda, B, Varela, P.F, Navarro, J.A, Hervas, M, De La Rosa, M.A.
登録日1997-06-17
公開日1997-12-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The 2.15 A crystal structure of a triple mutant plastocyanin from the cyanobacterium Synechocystis sp. PCC 6803.
J.Mol.Biol., 275, 1998
1PDU
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BU of 1pdu by Molmil
Ligand-binding domain of Drosophila orphan nuclear receptor DHR38
分子名称: nuclear hormone receptor HR38
著者Baker, K.D, Shewchuk, L.M, Korlova, T, Makishima, M, Hassell, A.M, Wisely, B, Caravella, J.A, Lambert, M.H, Wilson, T.M, Mangelsdorf, D.J.
登録日2003-05-20
公開日2003-06-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Drosophila orphan nuclear receptor DHR38 mediates an atypical ecdysteroid signaling pathway.
Cell(Cambridge,Mass.), 113, 2003
2VR7
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Crystal Structure of G85R ALS mutant of Human Cu,Zn Superoxide Dismutase (CuZnSOD) at 1.58 A resolution
分子名称: COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ...
著者Antonyuk, S, Cao, X, Seetharaman, S.V, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Selverstone Valentine, J, Hasnain, S.S, Hart, P.J.
登録日2008-03-28
公開日2008-04-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structures of the G85R Variant of Sod1 in Familial Amyotrophic Lateral Sclerosis.
J.Biol.Chem., 283, 2008
2WCJ
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Structure of BMori GOBP2 (General Odorant Binding Protein 2) with (10E,12Z)-tetradecadien-1-ol
分子名称: (10E,12Z)-tetradeca-10,12-dien-1-ol, GENERAL ODORANT-BINDING PROTEIN 1, MAGNESIUM ION
著者Robertson, G, Zhou, J.-J, He, X, Pickett, J.A, Field, L.M, Keep, N.H.
登録日2009-03-12
公開日2009-08-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Characterisation of Bombyx Mori Odorant-Binding Proteins Reveals that a General Odorant-Binding Protein Discriminates between Sex Pheromone Components.
J.Mol.Biol., 389, 2009
2VTP
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: CELL DIVISION PROTEIN KINASE 2, {[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008

223790

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