2UWP
| Factor Xa inhibitor complex | 分子名称: | 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE, CALCIUM ION, COAGULATION FACTOR X, ... | 著者 | Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P, Thorpe, J.H. | 登録日 | 2007-03-22 | 公開日 | 2007-05-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa. Bioorg.Med.Chem.Lett., 17, 2007
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3OX3
| X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(2-methoxy-1H-dipyrido[2,3-a:3',2'-e]pyrrolizin-11-yl)ethyl]furan-2-carboxamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | 著者 | Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A, Mesecar, A.D. | 登録日 | 2010-09-21 | 公開日 | 2011-05-25 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | X-ray structural studies of quinone reductase 2 nanomolar range inhibitors. Protein Sci., 20, 2011
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2V5V
| W57E Flavodoxin from Anabaena | 分子名称: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN, MAGNESIUM ION | 著者 | Herguedas, B, Martinez-Julvez, M, Perez-Dorado, I, Goni, G, Medina, M, Hermoso, J.A. | 登録日 | 2007-07-10 | 公開日 | 2007-10-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Tuning of the Fmn Binding and Oxido-Reduction Properties by Neighboring Side Chains in Anabaena Flavodoxin. Arch.Biochem.Biophys., 467, 2007
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3ORX
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3P22
| Crystal structure of the ENE, a viral RNA stability element, in complex with A9 RNA | 分子名称: | Core ENE hairpin from KSHV PAN RNA, oligo(A)9 RNA | 著者 | Mitton-Fry, R.M, DeGregorio, S.J, Wang, J, Steitz, T.A, Steitz, J.A. | 登録日 | 2010-10-01 | 公開日 | 2010-12-08 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | 主引用文献 | Poly(A) tail recognition by a viral RNA element through assembly of a triple helix. Science, 330, 2010
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2UUJ
| Thrombin-hirugen-gw473178 ternary complex at 1.32A resolution | 分子名称: | CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ... | 著者 | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | 登録日 | 2007-03-03 | 公開日 | 2007-09-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | The Determination of Protonation States in Proteins. Acta Crystallogr.,Sect.D, 63, 2007
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3OS8
| Estrogen Receptor | 分子名称: | 4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor | 著者 | Bruning, J, Parent, A.A, Gil, G, Zhao, M, Nowak, J, Pace, M.C, Smith, C.L, Afonine, P.V, Adams, P.D, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2010-09-08 | 公開日 | 2010-11-10 | 最終更新日 | 2021-10-06 | 実験手法 | X-RAY DIFFRACTION (2.031 Å) | 主引用文献 | Coupling of receptor conformation and ligand orientation determine graded activity. Nat.Chem.Biol., 6, 2010
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3P3B
| CRYSTAL STRUCTURE OF Galacturonate DEHYDRATASE FROM GEOBACILLUS SP. COMPLEXED WITH D-TARTRATE | 分子名称: | D(-)-TARTARIC ACID, MAGNESIUM ION, Mandelate racemase/muconate lactonizing protein | 著者 | Fedorov, A.A, Fedorov, E.V, Groninger-Poe, F, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2010-10-04 | 公開日 | 2011-06-29 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.651 Å) | 主引用文献 | CRYSTAL STRUCTURE OF Galacturonate DEHYDRATASE FROM GEOBACILLUS SP. COMPLEXED WITH D-TARTRATE. To be Published
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3OVM
| X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION, ... | 著者 | Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A. | 登録日 | 2010-09-16 | 公開日 | 2011-05-25 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | X-ray structural studies of quinone reductase 2 nanomolar range inhibitors. Protein Sci., 20, 2011
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3P61
| Crystal structure of the mutant R160A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | 分子名称: | 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-monophosphate decarboxylase | 著者 | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | 登録日 | 2010-10-11 | 公開日 | 2011-09-21 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.396 Å) | 主引用文献 | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme. Biochemistry, 51, 2012
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2VTJ
| 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-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide, CELL DIVISION PROTEIN KINASE 2, GLYCEROL | 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
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2VXI
| The binding of heme and zinc in Escherichia coli Bacterioferritin | 分子名称: | BACTERIOFERRITIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | 著者 | Willies, S.C, Isupov, M.N, Garman, E.F, Littlechild, J.A. | 登録日 | 2008-07-04 | 公開日 | 2008-11-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | The Binding of Haem and Zinc in the 1.9 A X-Ray Structure of Escherichia Coli Bacterioferritin. J.Biol.Inorg.Chem., 14, 2009
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2VTT
| 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-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-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 (1.68 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
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2W1F
| Structure determination of Aurora Kinase in complex with inhibitor | 分子名称: | N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE, 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 (2.85 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
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2VR6
| Crystal Structure of G85R ALS mutant of Human Cu,Zn Superoxide Dismutase (CuZnSOD) at 1.3 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 (1.3 Å) | 主引用文献 | Structures of the G85R Variant of Sod1 in Familial Amyotrophic Lateral Sclerosis. J.Biol.Chem., 283, 2008
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3P5Z
| Crystal structure of the mutant T159S of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | 分子名称: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, N-PROPANOL, ... | 著者 | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | 登録日 | 2010-10-11 | 公開日 | 2011-09-21 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme. Biochemistry, 51, 2012
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2W2F
| CRYSTAL STRUCTURE OF SINGLE POINT MUTANT ARG48GLN OF P-COUMARIC ACID DECARBOXYLASE FROM LACTOBACILLUS PLANTARUM STRUCTURAL INSIGHTS INTO THE ACTIVE SITE AND DECARBOXYLATION CATALYTIC MECHANISM | 分子名称: | BARIUM ION, P-COUMARIC ACID DECARBOXYLASE | 著者 | Rodriguez, H, Angulo, I, De Las Rivas, B, Campillo, N, Paez, J.A, Munoz, R, Mancheno, J.M. | 登録日 | 2008-10-29 | 公開日 | 2010-02-09 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | P-Coumaric Acid Decarboxylase from Lactobacillus Plantarum: Structural Insights Into the Active Site and Decarboxylation Catalytic Mechanism. Proteins, 78, 2010
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2VR7
| 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
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2W1C
| Structure determination of Aurora Kinase in complex with inhibitor | 分子名称: | 4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-6-YL]METHYL}MORPHOLIN-4-IUM, 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 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (3.24 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
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2W46
| CBM35 from Cellvibrio japonicus Abf62 | 分子名称: | CALCIUM ION, ESTERASE D, SODIUM ION | 著者 | Montainer, C, Lammerts van Bueren, A, Dumon, C, Flint, J.E, Correia, M.A, Prates, J.A, Firbank, S.J, Lewis, R.J, Grondin, G.G, Ghinet, M.G, Gloster, T.M, Herve, C, Knox, J.P, Talbot, B.G, Turkenburg, J.P, Kerovuo, J, Brzezinski, R, Fontes, C.M.G.A, Davies, G.J, Boraston, A.B, Gilbert, H.J. | 登録日 | 2008-11-21 | 公開日 | 2009-01-27 | 最終更新日 | 2017-06-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function. Proc.Natl.Acad.Sci.USA, 106, 2009
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2WCJ
| 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
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2W05
| Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5b | 分子名称: | CELL DIVISION PROTEIN KINASE 2, N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE | 著者 | Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Breed, J, Byth, K.F, Culshaw, J.D, Finlay, M.R, Fisher, E, Green, C.P, Heaton, D.W, Nash, I.A, Newcombe, N.J, Oakes, S.E, Pauptit, R.A, Roberts, A, Stanway, J.J, Thomas, A.P, Tucker, J.A, Weir, H.M. | 登録日 | 2008-08-08 | 公開日 | 2008-10-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Imidazoles: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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2VTP
| 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
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2VTH
| 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-hydroxynaphthalene-1-sulfonamide, CELL DIVISION PROTEIN KINASE 2, GLYCEROL | 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
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3OTU
| PDK1 mutant bound to allosteric disulfide fragment activator JS30 | 分子名称: | 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE, 3-phosphoinositide-dependent protein kinase 1, 4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxobutane-1-thiol, ... | 著者 | Sadowsky, J.D, Wells, J.A. | 登録日 | 2010-09-13 | 公開日 | 2011-03-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.1013 Å) | 主引用文献 | Turning a protein kinase on or off from a single allosteric site via disulfide trapping. Proc.Natl.Acad.Sci.USA, 108, 2011
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