2XCK
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![BU of 2xck by Molmil](/molmil-images/mine/2xck) | Crystal structure of PDK1 in complex with a pyrazoloquinazoline inhibitor | 分子名称: | 1-METHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-N-[(2-METHYLPYRIDIN-4-YL)METHYL]-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, GLYCEROL, ... | 著者 | Angiolini, M, Banfi, P, Casale, E, Casuscelli, F, Fiorelli, C, Saccardo, M.B, Silvagni, M, Zuccotto, F. | 登録日 | 2010-04-23 | 公開日 | 2010-07-28 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-Based Optimization of Potent Pdk1 Inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3QD4
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![BU of 3qd4 by Molmil](/molmil-images/mine/3qd4) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl{(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-3-piperidinyl}carbamate | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, SULFATE ION, tert-butyl {(3R,5R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate | 著者 | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | 登録日 | 2011-01-17 | 公開日 | 2011-03-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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2PE0
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![BU of 2pe0 by Molmil](/molmil-images/mine/2pe0) | CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 5-Hydroxy-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-1,3-dihydro-indol-2-one COMPLEX | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, 5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE, GLYCEROL, ... | 著者 | Whitlow, M, Adler, M. | 登録日 | 2007-04-01 | 公開日 | 2007-06-12 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity. Bioorg.Med.Chem.Lett., 17, 2007
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3ION
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![BU of 3ion by Molmil](/molmil-images/mine/3ion) | PDK1 in complex with Compound 8h | 分子名称: | 2-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine, 3-phosphoinositide-dependent protein kinase 1, SULFATE ION | 著者 | Olland, A.M. | 登録日 | 2009-08-14 | 公開日 | 2010-02-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The identification of 8,9-dimethoxy-5-(2-aminoalkoxy-pyridin-3-yl)-benzo[c][2,7]naphthyridin-4-ylamines as potent inhibitors of 3-phosphoinositide-dependent kinase-1 (PDK-1). Eur.J.Med.Chem., 45, 2010
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3QCS
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![BU of 3qcs by Molmil](/molmil-images/mine/3qcs) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-[2-Amino-6-(4-morpholinyl)-4-pyrimidinyl]-1H-indazol-3-amine | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, 6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2H-indazol-3-amine, GLYCEROL, ... | 著者 | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | 登録日 | 2011-01-17 | 公開日 | 2011-03-09 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (2.487 Å) | 主引用文献 | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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5LVP
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![BU of 5lvp by Molmil](/molmil-images/mine/5lvp) | Human PDK1 Kinase Domain in Complex with an HM-Peptide Bound to the PIF-Pocket | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | 著者 | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | 登録日 | 2016-09-14 | 公開日 | 2016-10-19 | 最終更新日 | 2019-10-16 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase. Cell Chem Biol, 23, 2016
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1UU8
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![BU of 1uu8 by Molmil](/molmil-images/mine/1uu8) | Structure of human PDK1 kinase domain in complex with BIM-1 | 分子名称: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ... | 著者 | Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | 登録日 | 2003-12-16 | 公開日 | 2004-03-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1 Structure, 12, 2004
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3QCQ
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![BU of 3qcq by Molmil](/molmil-images/mine/3qcq) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-(3-Amino-1H-indazol-6-yl)-N4-ethyl-2,4-pyrimidinediamine | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, 6-(3-amino-2H-indazol-6-yl)-N~4~-ethylpyrimidine-2,4-diamine, GLYCEROL, ... | 著者 | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | 登録日 | 2011-01-17 | 公開日 | 2011-03-09 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | 主引用文献 | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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1OKZ
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![BU of 1okz by Molmil](/molmil-images/mine/1okz) | Structure of human PDK1 kinase domain in complex with UCN-01 | 分子名称: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, 7-HYDROXYSTAUROSPORINE, GLYCEROL, ... | 著者 | Komander, D, Kular, G.S, Alessi, D.R, Van Aalten, D.M.F. | 登録日 | 2003-08-01 | 公開日 | 2004-07-29 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Structural Basis for Ucn-01 (7-Hydroxystaurosporine) Specificity and Pdk1 (3-Phosphoinositide-Dependent Protein Kinase-1) Inhibition Biochem.J., 375, 2003
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3RWQ
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![BU of 3rwq by Molmil](/molmil-images/mine/3rwq) | Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1) | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ... | 著者 | Kazmirski, S, Kohls, D. | 登録日 | 2011-05-09 | 公開日 | 2011-11-16 | 最終更新日 | 2011-12-28 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1). J.Med.Chem., 54, 2011
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3NAY
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![BU of 3nay by Molmil](/molmil-images/mine/3nay) | PDK1 in complex with inhibitor MP6 | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, 4-(2-cyclopropylethylidene)-9-(1H-pyrazol-4-yl)-6-{[(1R)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4H)-one | 著者 | Yan, Y, Munshi, S.K, Allison, T. | 登録日 | 2010-06-02 | 公開日 | 2010-11-24 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Selective inhibition of PDK1 using an allosteric kinase inhibitor and RNAi impairs cancer cell migration and anchorage-independent growth of primary tumor lines J.Biol.Chem., 2010
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3SC1
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![BU of 3sc1 by Molmil](/molmil-images/mine/3sc1) | Novel Isoquinolone PDK1 Inhibitors Discovered through Fragment-Based Lead Discovery | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, 6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, ... | 著者 | Greasley, S.E, Ferre, R.-A, Krauss, M, Cronin, C. | 登録日 | 2011-06-06 | 公開日 | 2011-10-26 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Novel isoquinolone PDK1 inhibitors discovered through fragment-based lead discovery. J Comput Aided Mol Des, 25, 2011
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5HO8
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![BU of 5ho8 by Molmil](/molmil-images/mine/5ho8) | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, 4-butyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, SULFATE ION | 著者 | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | 登録日 | 2016-01-19 | 公開日 | 2016-06-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of novel 7-azaindoles as PDK1 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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2R7B
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![BU of 2r7b by Molmil](/molmil-images/mine/2r7b) | Crystal Structure of the Phosphoinositide-dependent Kinase-1 (PDK-1)Catalytic Domain bound to a dibenzonaphthyridine inhibitor | 分子名称: | 10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine, 3-phosphoinositide-dependent protein kinase 1, SULFATE ION | 著者 | Olland, A.M. | 登録日 | 2007-09-07 | 公開日 | 2008-09-09 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of Dibenzo[c,f][2,7]naphthyridines as Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 Inhibitors. J.Med.Chem., 50, 2007
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6WJQ
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![BU of 6wjq by Molmil](/molmil-images/mine/6wjq) | |
3NUS
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![BU of 3nus by Molmil](/molmil-images/mine/3nus) | |
1UVR
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![BU of 1uvr by Molmil](/molmil-images/mine/1uvr) | Structure of human PDK1 kinase domain in complex with BIM-8 | 分子名称: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ... | 著者 | Komander, D, Garrido-Franco, M, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | 登録日 | 2004-01-22 | 公開日 | 2004-03-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1 Structure, 12, 2004
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5HO7
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![BU of 5ho7 by Molmil](/molmil-images/mine/5ho7) | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, 5-amino-3-(methylsulfanyl)-1H-pyrazole-1,4-dicarboxamide, SULFATE ION | 著者 | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | 登録日 | 2016-01-19 | 公開日 | 2016-06-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery of novel 7-azaindoles as PDK1 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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5HNG
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![BU of 5hng by Molmil](/molmil-images/mine/5hng) | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, 6-methoxy-2-(1H-pyrazol-5-yl)-1H-benzimidazole, SULFATE ION | 著者 | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | 登録日 | 2016-01-18 | 公開日 | 2016-06-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | Discovery of novel 7-azaindoles as PDK1 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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3PWY
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![BU of 3pwy by Molmil](/molmil-images/mine/3pwy) | Crystal structure of an extender (SPD28345)-modified human PDK1 complex 2 | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, N-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide | 著者 | Elling, R.A, Penny, D.M, Simmons, R.L, Erlanson, D.A, Romanowski, M.J. | 登録日 | 2010-12-09 | 公開日 | 2011-04-20 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Discovery of a potent and highly selective PDK1 inhibitor via fragment-based drug discovery. Bioorg.Med.Chem.Lett., 21, 2011
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