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PDB: 6626 件

2UWP
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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
2V5V
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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
3ORX
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PDK1 mutant bound to allosteric disulfide fragment inhibitor 1F8
分子名称: 2-methyl-N-(2-sulfanylethyl)-1-benzofuran-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1, CHLORIDE ION
著者Sadowsky, J.D, Wells, J.A.
登録日2010-09-08
公開日2011-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2044 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
3P22
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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
2UUJ
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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
3OS8
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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
3P3B
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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
3OVM
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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
3P61
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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
2VTJ
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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-[(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
2VXI
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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
2VTT
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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-{[(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
2W1F
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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
2VR6
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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
3P5Z
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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
2W2F
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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
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
2W1C
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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
2W46
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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
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
2W05
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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
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
2VTH
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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: 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
3OTU
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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
2W1G
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Structure determination of Aurora Kinase in complex with inhibitor
分子名称: 2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4-IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL-3-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2024-05-08
実験手法X-RAY DIFFRACTION (2.71 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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