4E5A
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4E73
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![BU of 4e73 by Molmil](/molmil-images/mine/4e73) | Crystal structure of JNK1beta-JIP in complex with an azaquinolone inhbitor | 分子名称: | C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, methyl 3-(4-{[(1R,2S,3S,5S,7s)-5-aminotricyclo[3.3.1.1~3,7~]dec-2-yl]carbamoyl}benzyl)-4-oxo-1-phenyl-1,4-dihydro-1,8-naphthyridine-2-carboxylate | 著者 | Lukacs, C.M, Janson, C.A. | 登録日 | 2012-03-16 | 公開日 | 2013-05-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Identification of an Adamantyl Azaquinolone JNK Selective Inhibitor. ACS Med Chem Lett, 3, 2012
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3WYX
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![BU of 3wyx by Molmil](/molmil-images/mine/3wyx) | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 6-((3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-2-(cyclohexylamino)nicotinonitrile | 分子名称: | 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, Dual specificity protein kinase TTK, IODIDE ION | 著者 | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y. | 登録日 | 2014-09-09 | 公開日 | 2015-04-08 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity. Bioorg.Med.Chem., 23, 2015
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3WZK
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![BU of 3wzk by Molmil](/molmil-images/mine/3wzk) | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH N-cyclopropyl-4-(8-((thiophen-2-ylmethyl)amino)imidazo[1,2-a]pyrazin-3-yl)benzamide | 分子名称: | CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide | 著者 | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y. | 登録日 | 2014-09-29 | 公開日 | 2015-02-11 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity. J.Med.Chem., 58, 2015
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4EK6
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4EHV
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![BU of 4ehv by Molmil](/molmil-images/mine/4ehv) | Human p38 MAP kinase in complex with NP-F10 and RL87 | 分子名称: | (1R,5S)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | 著者 | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | 登録日 | 2012-04-04 | 公開日 | 2012-12-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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3ZS5
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![BU of 3zs5 by Molmil](/molmil-images/mine/3zs5) | Structural basis for kinase selectivity of three clinical p38alpha inhibitors | 分子名称: | 1,2-ETHANEDIOL, 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, MITOGEN-ACTIVATED PROTEIN KINASE 14, ... | 著者 | Azevedo, R, van Zeeland, M, Raaijmakers, H.C.A, Kazemier, B, Oubrie, A. | 登録日 | 2011-06-23 | 公開日 | 2012-07-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | X-ray structure of p38 alpha bound to TAK-715: comparison with three classic inhibitors. Acta Crystallogr. D Biol. Crystallogr., 68, 2012
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4EUU
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![BU of 4euu by Molmil](/molmil-images/mine/4euu) | Structure of BX-795 Complexed with Human TBK1 Kinase Domain Phosphorylated on Ser172 | 分子名称: | GLYCEROL, IODIDE ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, ... | 著者 | Ma, X, Helgason, E, Phung, Q.T, Quan, C.L, Iyer, R.S, Lee, M.W, Bowman, K.K, Starovasnik, M.A, Dueber, E.C. | 登録日 | 2012-04-25 | 公開日 | 2012-05-23 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Molecular basis of Tank-binding kinase 1 activation by transautophosphorylation. Proc.Natl.Acad.Sci.USA, 109, 2012
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4AFE
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![BU of 4afe by Molmil](/molmil-images/mine/4afe) | Nek2 bound to hybrid compound 21 | 分子名称: | 1,2-ETHANEDIOL, 4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{[(1R,2Z)-4,4,4-TRIFLUORO-1-METHYLBUT-2-EN-1-YL]OXY}BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE NEK2 | 著者 | Yeoh, S, Innocenti, P, Hoelder, S, Bayliss, R. | 登録日 | 2012-01-19 | 公開日 | 2012-04-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.597 Å) | 主引用文献 | Design of Potent and Selective Hybrid Inhibitors of the Mitotic Kinase Nek2: Structure-Activity Relationship, Structural Biology, and Cellular Activity. J.Med.Chem., 55, 2012
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4EH8
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![BU of 4eh8 by Molmil](/molmil-images/mine/4eh8) | Human p38 MAP kinase in complex with NP-F7 and RL87 | 分子名称: | Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, [3-(benzyloxy)phenyl]methanol | 著者 | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | 登録日 | 2012-04-02 | 公開日 | 2012-12-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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4EH4
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![BU of 4eh4 by Molmil](/molmil-images/mine/4eh4) | Human p38 MAP kinase in complex with NP-F3 and RL87 | 分子名称: | Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, phenyl(piperidin-1-yl)methanone | 著者 | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | 登録日 | 2012-04-02 | 公開日 | 2012-12-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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4EK3
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4A9U
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![BU of 4a9u by Molmil](/molmil-images/mine/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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4AA4
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![BU of 4aa4 by Molmil](/molmil-images/mine/4aa4) | P38ALPHA MAP KINASE BOUND TO CMPD 22 | 分子名称: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]PHENYL]FURAN-3-CARBOXAMIDE | 著者 | Gerhardt, S, Hargreaves, D. | 登録日 | 2011-11-30 | 公開日 | 2012-05-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
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4A9R
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![BU of 4a9r by Molmil](/molmil-images/mine/4a9r) | CRYSTAL STRUCTURE OF HUMAN CHK2 IN COMPLEX WITH BENZIMIDAZOLE CARBOXAMIDE INHIBITOR | 分子名称: | 1,2-ETHANEDIOL, 2-[4-(4-CHLOROPHENOXY)PHENYL]-1H-BENZIMIDAZOLE-6-CARBOXAMIDE, NITRATE 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 (2.85 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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4AXA
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![BU of 4axa by Molmil](/molmil-images/mine/4axa) | Structure of PKA-PKB chimera complexed with (1S)-2-amino-1-(4- chlorophenyl)-1-(4-(1H-pyrazol-4-yl)phenyl)ethan-1-ol | 分子名称: | (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA | 著者 | Davies, T.G, Yap, T.A, Walton, M.I, Grimshaw, K.M, tePoele, R.H, Eve, P.D, Valenti, M.R, deHavenBrandon, A.K, Martins, V, Zetterlund, A, Heaton, S.P, Heinzmann, K, Jones, P.S, Feltell, R.E, Reule, M, Woodhead, S.J, Lyons, J.F, Raynaud, F.I, Eccles, S.A, Workman, P, Thompson, N.T, Garrett, M.D. | 登録日 | 2012-06-12 | 公開日 | 2012-07-25 | 最終更新日 | 2013-02-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | At13148 is a Novel, Oral Multi-Agc Kinase Inhibitor with Potent Pharmacodynamic and Antitumor Activity. Clin.Cancer Res., 18, 2012
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4B6L
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![BU of 4b6l by Molmil](/molmil-images/mine/4b6l) | Discovery of Oral Polo-Like Kinase (PLK) Inhibitors with Enhanced Selectivity Profile using Residue Targeted Drug Design | 分子名称: | 4-[[(4R)-5-cyclopentyl-4-ethyl-3a,4-dihydro-3H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-3-methoxy-benzamide, SERINE/THREONINE-PROTEIN KINASE PLK3, SULFATE ION | 著者 | Brown, K, Charrier, J.D, Durrant, S, Griffiths, M, Hudson, C, Kay, D, Knegtel, R, ODonnell, M, Pierard, F, Twin, H, Weber, P, Young, S. | 登録日 | 2012-08-14 | 公開日 | 2013-08-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of Oral Polo-Like Kinase (Plk) Inhibitors with Enhanced Selectivity Profile Using Residue Targeted Drug Design To be Published
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4ERK
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![BU of 4erk by Molmil](/molmil-images/mine/4erk) | THE COMPLEX STRUCTURE OF THE MAP KINASE ERK2/OLOMOUCINE | 分子名称: | EXTRACELLULAR REGULATED KINASE 2, OLOMOUCINE, SULFATE ION | 著者 | Wang, Z, Canagarajah, B, Boehm, J.C, Cobb, M.H, Young, P.R, Abdel-Meguid, S, Adams, J.L, Goldsmith, E.J. | 登録日 | 1998-07-09 | 公開日 | 1999-07-22 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural basis of inhibitor selectivity in MAP kinases. Structure, 6, 1998
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4EZ3
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![BU of 4ez3 by Molmil](/molmil-images/mine/4ez3) | CDK2 in complex with NSC 134199 | 分子名称: | 1,2-ETHANEDIOL, 4-[(E)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide, Cyclin-dependent kinase 2 | 著者 | Alam, R, Martin, M, Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2012-05-02 | 公開日 | 2012-08-22 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2. Chembiochem, 13, 2012
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4B9D
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![BU of 4b9d by Molmil](/molmil-images/mine/4b9d) | Crystal Structure of Human NIMA-related Kinase 1 (NEK1) with inhibitor. | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK1, ... | 著者 | Elkins, J.M, Hanchuk, T.D.M, Lovato, D.V, Basei, F.L, Meirelles, G.V, Kobarg, J, Szklarz, M, Vollmar, M, Mahajan, P, Rellos, P, Zhang, Y, Krojer, T, Pike, A.C.W, Canning, P, von Delft, F, Raynor, J, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S. | 登録日 | 2012-09-04 | 公開日 | 2012-09-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | NEK1 kinase domain structure and its dynamic protein interactome after exposure to Cisplatin. Sci Rep, 7, 2017
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4EZ7
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![BU of 4ez7 by Molmil](/molmil-images/mine/4ez7) | CDK2 in complex with staurosporine and 2 molecules of 8-anilino-1-naphthalene sulfonic acid | 分子名称: | 1,2-ETHANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, Cyclin-dependent kinase 2, ... | 著者 | Alam, R, Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2012-05-02 | 公開日 | 2012-08-22 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2. Chembiochem, 13, 2012
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4EZ5
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![BU of 4ez5 by Molmil](/molmil-images/mine/4ez5) | CDK6 (monomeric) in complex with inhibitor | 分子名称: | Cyclin-dependent kinase 6, {5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone | 著者 | Chopra, R, Xu, M. | 登録日 | 2012-05-02 | 公開日 | 2013-02-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors. ACS Med Chem Lett, 3, 2012
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4F9Y
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![BU of 4f9y by Molmil](/molmil-images/mine/4f9y) | Human P38 alpha MAPK In Complex With a Novel and Selective Small Molecule Inhibitor | 分子名称: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | 著者 | Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. | 登録日 | 2012-05-21 | 公開日 | 2013-06-05 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction. Plos One, 8, 2013
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4EYM
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![BU of 4eym by Molmil](/molmil-images/mine/4eym) | MAPK13 complex with inhibitor | 分子名称: | 2-(morpholin-4-yl)-N-[4-(pyridin-4-yloxy)phenyl]pyridine-4-carboxamide, Mitogen-activated protein kinase 13 | 著者 | Miller, C.A, Brett, T.J. | 登録日 | 2012-05-01 | 公開日 | 2012-12-19 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.353 Å) | 主引用文献 | IL-13-induced airway mucus production is attenuated by MAPK13 inhibition. J.Clin.Invest., 122, 2012
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4A4O
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![BU of 4a4o by Molmil](/molmil-images/mine/4a4o) | CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 2-(2-AMINO- PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-PYRROLOPYRIDIN-4-ONE INHIBITOR | 分子名称: | 1-METHYL-2-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, L(+)-TARTARIC ACID, SERINE/THREONINE-PROTEIN KINASE PLK1, ... | 著者 | Bertrand, J.A, Bossi, R.T. | 登録日 | 2011-10-18 | 公開日 | 2012-01-11 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | 5-(2-Amino-Pyrimidin-4-Yl)-1H-Pyrrole and 2-(2-Amino-Pyrimidin-4-Yl)-1,5,6,7-Tetrahydro-Pyrrolo[3,2-C]Pyridin-4-One Derivatives as New Classes of Selective and Orally Available Polo-Like Kinase 1 Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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