2UW4
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![BU of 2uw4 by Molmil](/molmil-images/mine/2uw4) | Structure of PKA-PKB chimera complexed with 2-(4-(5-methyl-1H-pyrazol- 4-yl)-phenyl)-ethylamine | 分子名称: | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | 著者 | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | 登録日 | 2007-03-19 | 公開日 | 2007-05-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery J.Med.Chem., 50, 2007
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2UW5
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![BU of 2uw5 by Molmil](/molmil-images/mine/2uw5) | Structure of PKA-PKB chimera complexed with (R)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine | 分子名称: | (2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | 著者 | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | 登録日 | 2007-03-19 | 公開日 | 2007-05-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery J.Med.Chem., 50, 2007
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2UW7
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![BU of 2uw7 by Molmil](/molmil-images/mine/2uw7) | Structure of PKA-PKB chimera complexed with 4-(4-chloro-phenyl)-4-(4- (1H-pyrazol-4-yl)-phenyl)-piperidine | 分子名称: | 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | 著者 | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | 登録日 | 2007-03-19 | 公開日 | 2007-05-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery J.Med.Chem., 50, 2007
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2VA7
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![BU of 2va7 by Molmil](/molmil-images/mine/2va7) | X-ray crystal structure of beta secretase complexed with compound 27 | 分子名称: | (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | 著者 | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G. | 登録日 | 2007-08-30 | 公開日 | 2007-11-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency. J.Med.Chem., 50, 2007
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2VA6
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![BU of 2va6 by Molmil](/molmil-images/mine/2va6) | X-ray crystal structure of beta secretase complexed with compound 24 | 分子名称: | (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA SECRETASE 1, IODIDE ION | 著者 | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G. | 登録日 | 2007-08-30 | 公開日 | 2007-11-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency. J.Med.Chem., 50, 2007
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2VA5
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![BU of 2va5 by Molmil](/molmil-images/mine/2va5) | X-ray crystal structure of beta secretase complexed with compound 8c | 分子名称: | 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | 著者 | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L, Patel, S, Spear, N, Tian, G. | 登録日 | 2007-08-30 | 公開日 | 2007-11-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency. J.Med.Chem., 50, 2007
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2UW6
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![BU of 2uw6 by Molmil](/molmil-images/mine/2uw6) | Structure of PKA-PKB chimera complexed with (S)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine | 分子名称: | (2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | 著者 | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | 登録日 | 2007-03-19 | 公開日 | 2007-05-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery J.Med.Chem., 50, 2007
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2UW9
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![BU of 2uw9 by Molmil](/molmil-images/mine/2uw9) | STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH 4-(4-chloro-phenyl)-4-(4-(1H-pyrazol-4-yl)-phenyl)-piperidine | 分子名称: | 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE, GLYCOGEN SYNTHASE KINASE-3 BETA, RAC-BETA SERINE/THREONINE-PROTEIN KINASE | 著者 | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | 登録日 | 2007-03-19 | 公開日 | 2007-05-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery. J.Med.Chem., 50, 2007
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2UW8
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![BU of 2uw8 by Molmil](/molmil-images/mine/2uw8) | Structure of PKA-PKB chimera complexed with 2-(4-chloro-phenyl)-2- phenyl-ethylamine | 分子名称: | (2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | 著者 | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | 登録日 | 2007-03-19 | 公開日 | 2007-05-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery. J.Med.Chem., 50, 2007
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2UW3
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![BU of 2uw3 by Molmil](/molmil-images/mine/2uw3) | Structure of PKA-PKB chimera complexed with 5-methyl-4-phenyl-1H- pyrazole | 分子名称: | 3-METHYL-4-PHENYL-1H-PYRAZOLE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | 著者 | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | 登録日 | 2007-03-19 | 公開日 | 2007-05-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery J.Med.Chem., 50, 2007
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5EO9
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![BU of 5eo9 by Molmil](/molmil-images/mine/5eo9) | Crystal Structure of the complex of Dpr6 Domain 1 bound to DIP-alpha Domain 1+2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CG32791, isoform A, ... | 著者 | Ozkan, E, Zinn, K, Garcia, K.C. | 登録日 | 2015-11-10 | 公開日 | 2016-01-06 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.2988 Å) | 主引用文献 | Control of Synaptic Connectivity by a Network of Drosophila IgSF Cell Surface Proteins. Cell, 163, 2015
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1W84
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![BU of 1w84 by Molmil](/molmil-images/mine/1w84) | p38 Kinase crystal structure in complex with small molecule inhibitor | 分子名称: | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE, MITOGEN-ACTIVATED PROTEIN KINASE 14 | 著者 | Tickle, J, Jhoti, H, Cleasby, A, Devine, L. | 登録日 | 2004-09-16 | 公開日 | 2005-02-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation. J. Med. Chem., 48, 2005
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1WBT
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![BU of 1wbt by Molmil](/molmil-images/mine/1wbt) | Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. | 分子名称: | 3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE, MITOGEN-ACTIVATED PROTEIN KINASE 14 | 著者 | Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H. | 登録日 | 2004-11-05 | 公開日 | 2005-11-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation. J.Med.Chem., 48, 2005
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1WBS
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![BU of 1wbs by Molmil](/molmil-images/mine/1wbs) | Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. | 分子名称: | 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE, GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE 14 | 著者 | Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H. | 登録日 | 2004-11-05 | 公開日 | 2005-11-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation. J.Med.Chem., 48, 2005
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1WBN
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![BU of 1wbn by Molmil](/molmil-images/mine/1wbn) | fragment based p38 inhibitors | 分子名称: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA | 著者 | Cleasby, A, Devine, L.A, Gill, A.L, Jhoti, H. | 登録日 | 2004-11-04 | 公開日 | 2005-11-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation. J.Med.Chem., 48, 2005
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1WBV
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![BU of 1wbv by Molmil](/molmil-images/mine/1wbv) | Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. | 分子名称: | 3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-4-YLBENZAMIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H. | 登録日 | 2004-11-05 | 公開日 | 2005-11-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation. J.Med.Chem., 48, 2005
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1W83
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![BU of 1w83 by Molmil](/molmil-images/mine/1w83) | p38 Kinase crystal structure in complex with small molecule inhibitor | 分子名称: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO- | 著者 | Tickle, J, Jhoti, H, Cleasby, A, Devine, L. | 登録日 | 2004-09-16 | 公開日 | 2005-02-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation. J. Med. Chem., 48, 2005
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2OHP
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![BU of 2ohp by Molmil](/molmil-images/mine/2ohp) | X-ray crystal structure of beta secretase complexed with compound 3 | 分子名称: | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | 著者 | Patel, S. | 登録日 | 2007-01-10 | 公開日 | 2007-05-01 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase. J.Med.Chem., 50, 2007
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2OHR
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![BU of 2ohr by Molmil](/molmil-images/mine/2ohr) | |
2OHS
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![BU of 2ohs by Molmil](/molmil-images/mine/2ohs) | |
2OHU
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![BU of 2ohu by Molmil](/molmil-images/mine/2ohu) | |
2OHQ
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![BU of 2ohq by Molmil](/molmil-images/mine/2ohq) | X-ray crystal structure of beta secretase complexed with compound 4 | 分子名称: | 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | 著者 | Patel, S. | 登録日 | 2007-01-10 | 公開日 | 2007-03-13 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase. J.Med.Chem., 50, 2007
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2OHT
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1WBW
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![BU of 1wbw by Molmil](/molmil-images/mine/1wbw) | Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. | 分子名称: | 3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE, MITOGEN-ACTIVATED PROTEIN KINASE 14 | 著者 | Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H. | 登録日 | 2004-11-05 | 公開日 | 2005-11-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation J.Med.Chem., 48, 2005
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6NRR
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![BU of 6nrr by Molmil](/molmil-images/mine/6nrr) | Crystal structure of Dpr11 IG1 bound to DIP-gamma IG+IG2 | 分子名称: | Defective proboscis extension response 11, isoform B, Dpr-interacting protein gamma, ... | 著者 | Cheng, S, Park, Y.J, Kurleto, J.D, Ozkan, E. | 登録日 | 2019-01-24 | 公開日 | 2019-02-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Molecular basis of synaptic specificity by immunoglobulin superfamily receptors in Drosophila. Elife, 8, 2019
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