2YM7
| Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 1,2-ETHANEDIOL, 5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | 登録日 | 2011-06-06 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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1BY8
| THE CRYSTAL STRUCTURE OF HUMAN PROCATHEPSIN K | 分子名称: | PROTEIN (PROCATHEPSIN K) | 著者 | Lalonde, J.M, Zhao, B, Smith, W.W, Janson, C.A, Desjarlais, R.L, Tomaszek, T.A, Carr, T.J, Thompson, S.K, Yamashita, D.S, Veber, D.F, Abdel-Mequid, S.S. | 登録日 | 1998-10-27 | 公開日 | 1999-10-24 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The crystal structure of human procathepsin K. Biochemistry, 38, 1999
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2YNR
| mImp_alphadIBB_B54NLS | 分子名称: | B54NLS, IMPORTIN SUBUNIT ALPHA | 著者 | Chang, C.-W, Counago, R.L.M, Williams, S.J, Boden, M, Kobe, B. | 登録日 | 2012-10-18 | 公開日 | 2013-01-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal Structure of Rice Importin-Alpha and Structural Basis of its Interaction with Plant-Specific Nuclear Localization Signals. Plant Cell, 24, 2012
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2YM4
| Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1, ethyl 4-[(2R)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | 登録日 | 2011-06-06 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM6
| Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 1,2-ETHANEDIOL, 1-[(2R)-4-(9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | 登録日 | 2011-06-06 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM5
| Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | (3-{4-[(2S)-2-(AMINOMETHYL)MORPHOLIN-4-YL]-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}PHENYL)METHANOL, 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | 登録日 | 2011-06-06 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM3
| Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 1,2-ETHANEDIOL, ETHYL 4-(2-(AMINOMETHYL)MORPHOLINO)-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | 登録日 | 2011-06-06 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.007 Å) | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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1E26
| Design, Synthesis and X-ray Crystal Structure of a Potent Dual Inhibitor of Thymidylate Synthase and Dihydrofolate Reductase as an Antitumor Agent. | 分子名称: | DIHYDROFOLATE REDUCTASE, N-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Gangjee, A, Yu, J, McGuire, J.J, Cody, V, Galitsky, N, Kisliuk, R.L, Queener, S.F. | 登録日 | 2000-05-17 | 公開日 | 2001-05-17 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Ligand-Induced Conformational Changes in the Crystal Structures of Pneumocystis Carinii Dihydrofolate Reductase Complexes with Folate and Nadp+ Biochemistry, 38, 1999
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2YM8
| Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | (R)-5-(8-CHLOROISOQUINOLIN-3-YLAMINO)-3-(1-(DIMETHYLAMINO)PROPAN-2-YLOXY)PYRAZINE-2-CARBONITRILE, 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | 登録日 | 2011-06-06 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YNS
| rImp_alpha_B54NLS | 分子名称: | B54NLS, IMPORTIN SUBUNIT ALPHA-1A | 著者 | Chang, C.-W, Counago, R.L.M, Williams, S.J, Boden, M, Kobe, B. | 登録日 | 2012-10-18 | 公開日 | 2013-01-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal Structure of Rice Importin-Alpha and Structural Basis of its Interaction with Plant-Specific Nuclear Localization Signals. Plant Cell, 24, 2012
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1F58
| IGG1 FAB FRAGMENT (58.2) COMPLEX WITH 24-RESIDUE PEPTIDE (RESIDUES 308-333 OF HIV-1 GP120 (MN ISOLATE) WITH ALA TO AIB SUBSTITUTION AT POSITION 323 | 分子名称: | Envelope glycoprotein gp120, PROTEIN (IGG1 ANTIBODY 58.2 (HEAVY CHAIN)), PROTEIN (IGG1 ANTIBODY 58.2 (LIGHT CHAIN)) | 著者 | Stanfield, R.L, Cabezas, E, Satterthwait, A.C, Stura, E.A, Profy, A.T, Wilson, I.A. | 登録日 | 1998-10-21 | 公開日 | 1999-02-02 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Dual conformations for the HIV-1 gp120 V3 loop in complexes with different neutralizing fabs. Structure Fold.Des., 7, 1999
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1HXB
| HIV-1 proteinase complexed with RO 31-8959 | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, HIV-1 PROTEASE | 著者 | Graves, B.J, Hatada, M.H, Crowther, R.L. | 登録日 | 1996-09-13 | 公開日 | 1997-03-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Novel binding mode of highly potent HIV-proteinase inhibitors incorporating the (R)-hydroxyethylamine isostere. J.Med.Chem., 34, 1991
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1GKG
| Structure Determination and Rational Mutagenesis reveal binding surface of immune adherence receptor, CR1 (CD35) | 分子名称: | COMPLEMENT RECEPTOR TYPE 1 | 著者 | Smith, B.O, Mallin, R.L, Krych-Goldberg, M, Wang, X, Hauhart, R.E, Bromek, K, Uhrin, D, Atkinson, J.P, Barlow, P.N. | 登録日 | 2001-08-14 | 公開日 | 2002-04-18 | 最終更新日 | 2011-07-13 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of the C3B Binding Site of Cr1 (Cd35), the Immune Adherence Receptor Cell(Cambridge,Mass.), 108, 2002
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4BDE
| Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | 分子名称: | 1,2-ETHANEDIOL, 6-METHYLQUINAZOLIN-4-AMINE, NITRATE ION, ... | 著者 | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | 登録日 | 2012-10-05 | 公開日 | 2013-06-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2. Plos One, 8, 2013
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4B8J
| rImp_alpha1a | 分子名称: | IMPORTIN SUBUNIT ALPHA-1A | 著者 | Chang, C.-W, Counago, R.L.M, Williams, S.J, Boden, M, Kobe, B. | 登録日 | 2012-08-28 | 公開日 | 2013-01-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | Crystal Structure of Rice Importin-Alpha and Structural Basis of its Interaction with Plant-Specific Nuclear Localization Signals. Plant Cell, 24, 2012
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4BDJ
| Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | 分子名称: | 3-cyclopropyl-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine, CHECKPOINT KINASE 2, NITRATE ION | 著者 | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | 登録日 | 2012-10-05 | 公開日 | 2013-06-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2. Plos One, 8, 2013
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4BDA
| Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | 分子名称: | 1,2-ETHANEDIOL, 3,4-dihydro[1,2,4]triazolo[1,5-a][3,1]benzimidazol-9-ium, CHLORIDE ION, ... | 著者 | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | 登録日 | 2012-10-05 | 公開日 | 2013-06-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2. Plos One, 8, 2013
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4BDK
| Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | 分子名称: | 1,2-ETHANEDIOL, CHECKPOINT KINASE 2, N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide, ... | 著者 | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | 登録日 | 2012-10-05 | 公開日 | 2013-06-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2. Plos One, 8, 2013
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4BDG
| Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | 分子名称: | 1,2-ETHANEDIOL, 3-(PYRIDIN-3-YL)-1H-PYRAZOL-5-AMINE, CHLORIDE ION, ... | 著者 | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | 登録日 | 2012-10-05 | 公開日 | 2013-06-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2. Plos One, 8, 2013
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4BI2
| Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor | 分子名称: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | 著者 | Langdon, S.R, Westwood, I.M, van Montfort, R.L.M, Brown, N, Blagg, J. | 登録日 | 2013-04-09 | 公開日 | 2013-05-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | 主引用文献 | Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of Ttk Inhibitors. J.Chem.Inf.Model, 53, 2013
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4BHZ
| Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor | 分子名称: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | 著者 | Langdon, S.R, Westwood, I.M, van Montfort, R.L.M, Brown, N, Blagg, J. | 登録日 | 2013-04-09 | 公開日 | 2013-05-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of Ttk Inhibitors. J.Chem.Inf.Model, 53, 2013
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4B8P
| rImp_alpha_A89NLS | 分子名称: | A89NLS, IMPORTIN SUBUNIT ALPHA-1A | 著者 | Chang, C.-W, Counago, R.L.M, Williams, S.J, Boden, M, Kobe, B. | 登録日 | 2012-08-29 | 公開日 | 2013-01-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal Structure of Rice Importin-Alpha and Structural Basis of its Interaction with Plant-Specific Nuclear Localization Signals. Plant Cell, 24, 2012
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4B8O
| rImp_alpha_SV40TAgNLS | 分子名称: | IMPORTIN SUBUNIT ALPHA-1A, SV40TAGNLS | 著者 | Chang, C.-W, Counago, R.L.M, Williams, S.J, Boden, M, Kobe, B. | 登録日 | 2012-08-28 | 公開日 | 2013-01-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.084 Å) | 主引用文献 | Crystal Structure of Rice Importin-Alpha and Structural Basis of its Interaction with Plant-Specific Nuclear Localization Signals. Plant Cell, 24, 2012
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4A9U
| CRYSTAL STRUCTURE OF HUMAN CHK2 IN COMPLEX WITH BENZIMIDAZOLE CARBOXAMIDE INHIBITOR | 分子名称: | 1,2-ETHANEDIOL, 2-{4-[(1-BENZYLPIPERIDIN-4-YL)METHOXY]PHENYL}-1H-BENZIMIDAZOLE-6-CARBOXAMIDE, CHLORIDE ION, ... | 著者 | Matijssen, C, Silva-Santisteban, M.C, Westwood, I.M, Siddique, S, Choi, V, Sheldrake, P, van Montfort, R.L.M, Blagg, J. | 登録日 | 2011-11-28 | 公開日 | 2012-10-10 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Benzimidazole Inhibitors of the Protein Kinase Chk2: Clarification of the Binding Mode by Flexible Side Chain Docking and Protein-Ligand Crystallography Bioorg.Med.Chem., 20, 2012
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4C33
| PKA-S6K1 Chimera Apo | 分子名称: | CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA | 著者 | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | 登録日 | 2013-08-21 | 公開日 | 2013-10-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design. Oncotarget, 4, 2013
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