1S0R
 
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1S82
 | | PORCINE TRYPSIN COMPLEXED WITH BORATE AND ETHYLENE GLYCOL | | 分子名称: | 1,2-ETHANEDIOL, 1,3,2-DIOXABOROLAN-2-OL, CALCIUM ION, ... | | 著者 | Transue, T.R, Krahn, J.M, Gabel, S.A, DeRose, E.F, London, R.E. | | 登録日 | 2004-01-30 | | 公開日 | 2004-03-16 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols.
Biochemistry, 43, 2004
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2W4K
 | | X-ray structure of a DAP-Kinase 2-302 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DEATH-ASSOCIATED PROTEIN KINASE 1, MAGNESIUM ION | | 著者 | De Diego, I, Kuper, J, Lehmann, F, Wilmanns, M. | | 登録日 | 2008-11-27 | | 公開日 | 2009-12-22 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A Pef/Y Substrate Recognition and Signature Motif Plays a Critical Role in Dapk-Related Kinase Activity.
Chem.Biol., 21, 2014
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2VTL
 | | 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
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2BZM
 | | Solution structure of the primary host recognition region of complement factor H | | 分子名称: | COMPLEMENT FACTOR H | | 著者 | Herbert, A.P, Uhrin, D, Lyon, M, Pangburn, M.K, Barlow, P.N. | | 登録日 | 2005-08-18 | | 公開日 | 2006-03-22 | | 最終更新日 | 2011-07-13 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Disease-Associated Sequence Variations Congregate in a Polyanion Recognition Patch on Human Factor H Revealed in Three-Dimensional Structure.
J.Biol.Chem., 281, 2006
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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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2C4A
 | | Structure of Neuraminidase Subtype N9 Complexed with 30 MM Sialic Acid (NANA, NEU5AC), Crystal Soaked for 3 Hours at 291 K. | | 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 | Rudino-Pinera, E, Tunnah, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F. | | 登録日 | 2005-10-17 | | 公開日 | 2007-03-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | The Crystal Structure of Influenza Type a Virus Neuraminidase of the N6 Subtype at 1.85 A Resolution
To be Published
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2XRW
 | | Linear binding motifs for JNK and for calcineurin antagonistically control the nuclear shuttling of NFAT4 | | 分子名称: | GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE 8, NUCLEAR FACTOR OF ACTIVATED T-CELLS, ... | | 著者 | Barkai, T, Toeoroe, I, Garai, A, Remenyi, A. | | 登録日 | 2010-09-23 | | 公開日 | 2011-09-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Specificity of Linear Motifs that Bind to a Common Mitogen-Activated Protein Kinase Docking Groove.
Sci. Signal, 5, 2012
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1W6H
 | | Novel plasmepsin II-inhibitor complex | | 分子名称: | N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-L-VALYL]AMINO}PENTANOYL)-L-ALANYL-L-LEUCINAMIDE, PLASMEPSIN 2 | | 著者 | Lindberg, J, Johansson, P.-O, Rosenquist, A, Kvarnstroem, I, Vrang, L, Samuelsson, B, Unge, T. | | 登録日 | 2004-08-18 | | 公開日 | 2006-07-05 | | 最終更新日 | 2018-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Structural Study of a Novel Inhibitor with Bulky P1 Side Chain in Complex with Plasmepsin II -Implications for Drug Design
To be Published
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1H8F
 | | Glycogen Synthase Kinase 3 beta. | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCOGEN SYNTHASE KINASE-3 BETA | | 著者 | Dajani, R, Pearl, L.H, Roe, S.M. | | 登録日 | 2001-02-05 | | 公開日 | 2002-01-31 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal Structure of Glycogen Synthase Kinase 3Beta . Structural Basis for Phosphate-Primed Substrate Specificity and Autoinhibition
Cell(Cambridge,Mass.), 105, 2001
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1W6Z
 | | High Energy Tetragonal Lysozyme X-ray Structure | | 分子名称: | CHLORIDE ION, HOLMIUM (III) ATOM, LYSOZYME C | | 著者 | Jakoncic, J, Aslantas, M, Honkimaki, V, Di Michiel, M, Stojanoff, V. | | 登録日 | 2004-08-25 | | 公開日 | 2004-11-10 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Anomalous Diffraction at Ultra-High Energy for Protein Crystallography.
J.Appl.Crystallogr., 39, 2006
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2BD9
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2BDH
 | | Human Kallikrein 4 complex with zinc and p-aminobenzamidine | | 分子名称: | Kallikrein-4, P-AMINO BENZAMIDINE, ZINC ION | | 著者 | Debela, M, Bode, W, Goettig, P, Structural Proteomics in Europe (SPINE) | | 登録日 | 2005-10-20 | | 公開日 | 2006-10-03 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Crystal structures of human tissue kallikrein 4: activity modulation by a specific zinc binding site.
J.Mol.Biol., 362, 2006
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3GC0
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1W5V
 | | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | | 分子名称: | HIV-1 PROTEASE, N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | | 著者 | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | | 登録日 | 2004-08-10 | | 公開日 | 2004-12-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
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2W1G
 | | 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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1WAQ
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1GT5
 | | Complexe of Bovine Odorant Binding Protein with benzophenone | | 分子名称: | DIPHENYLMETHANONE, ODORANT-BINDING PROTEIN | | 著者 | Vincent, F, Ramoni, R, Spinelli, S, Grolli, S, Conti, V, Cambillau, C, Tegoni, M. | | 登録日 | 2002-01-10 | | 公開日 | 2003-10-03 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Crystal Structures of Bovine Odorant-Binding Protein in Complex with Odorant Molecules.
Eur.J.Biochem., 271, 2004
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1S85
 | | PORCINE TRYPSIN COMPLEXED WITH P-HYDROXYMETHYL BENZAMIDINE AND BORATE | | 分子名称: | CALCIUM ION, SULFATE ION, TRYPSIN, ... | | 著者 | Transue, T.R, Krahn, J.M, Gabel, S.A, Derose, E.F, London, R.E. | | 登録日 | 2004-01-30 | | 公開日 | 2004-03-16 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols.
Biochemistry, 43, 2004
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3GCS
 | | Human P38 MAP kinase in complex with Sorafenib | | 分子名称: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | 著者 | Gruetter, C, Simard, J.R, Rauh, D. | | 登録日 | 2009-02-22 | | 公開日 | 2009-06-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
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2VO7
 | | Structure of PKA complexed with 4-(4-Chlorobenzyl)-1-(7H-pyrrolo(2,3- d)pyrimidin-4-yl)piperidin-4-ylamine | | 分子名称: | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | 著者 | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | | 登録日 | 2008-02-08 | | 公開日 | 2008-04-08 | | 最終更新日 | 2015-04-29 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
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1GWN
 | | The crystal structure of the core domain of RhoE/Rnd3 - a constitutively activated small G protein | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Rho-related GTP-binding protein RhoE | | 著者 | Garavini, H, Riento, K, Phelan, J.P, McAlister, M.S.B, Ridley, A.J, Keep, N.H. | | 登録日 | 2002-03-19 | | 公開日 | 2002-04-05 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal Structure of the Core Domain of Rhoe/Rnd3: A Constitutively Activated Small G Protein
Biochemistry, 41, 2002
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3GCU
 | | Human P38 MAP kinase in complex with RL48 | | 分子名称: | 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ... | | 著者 | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | 登録日 | 2009-02-22 | | 公開日 | 2009-06-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
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1W4Q
 | | Binding of Nonnatural 3'-Nucleotides to Ribonuclease A | | 分子名称: | 2'-FLUORO-2'-DEOXYURIDINE 3'-MONOPHOSPHATE, PANCREATIC RIBONUCLEASE A | | 著者 | Jenkins, C.L, Thiyagarajan, N, Sweeney, R.Y, Guy, M.P, Kelemen, B.R, Acharya, K.R, Raines, R.T. | | 登録日 | 2004-07-27 | | 公開日 | 2005-02-02 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Binding of Non-Natural 3'-Nucleotides to Ribonuclease A
FEBS J., 272, 2005
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1W8P
 | | Structural properties of the B25Tyr-NMe-B26Phe insulin mutant. | | 分子名称: | INSULIN A-CHAIN, INSULIN B-CHAIN, PHENOL, ... | | 著者 | Zakowa, L, Au-Alvarez, O, Dodson, E.J, Dodson, G.G, Brzozowski, A.M. | | 登録日 | 2004-09-24 | | 公開日 | 2005-02-03 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Towards the Insulin-Igf-I Intermediate Structures: Functional and Structural Properties of the B25Tyr-Nme-B26Phe Insulin Mutant.
Biochemistry, 43, 2004
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