4CC6
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![BU of 4cc6 by Molmil](/molmil-images/mine/4cc6) | Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase | 分子名称: | 2-{[2-(1H-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol, DNA LIGASE, SULFATE ION | 著者 | Howard, S, Amin, N, Benowitz, A.B, Chiarparin, E, Cui, H, Deng, X, Heightman, T.D, Holmes, D.J, Hopkins, A, Huang, J, Jin, Q, Kreatsoulas, C, Martin, A.C.L, Massey, F, McCloskey, L, Mortenson, P.N, Pathuri, P, Tisi, D, Williams, P.A. | 登録日 | 2013-10-18 | 公開日 | 2014-06-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Fragment-Based Discovery of 6-Azaindazoles as Inhibitors of Bacterial DNA Ligase. Acs Med.Chem.Lett., 4, 2013
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4CC5
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![BU of 4cc5 by Molmil](/molmil-images/mine/4cc5) | Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase | 分子名称: | 2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine, DNA LIGASE, SULFATE ION | 著者 | Howard, S, Amin, N, Benowitz, A.B, Chiarparin, E, Cui, H, Deng, X, Heightman, T.D, Holmes, D.J, Hopkins, A, Huang, J, Jin, Q, Kreatsoulas, C, Martin, A.C.L, Massey, F, McCloskey, L, Mortenson, P.N, Pathuri, P, Tisi, D, Williams, P.A. | 登録日 | 2013-10-18 | 公開日 | 2014-06-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Fragment-Based Discovery of 6-Azaindazoles as Inhibitors of Bacterial DNA Ligase. Acs Med.Chem.Lett., 4, 2013
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3TKI
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![BU of 3tki by Molmil](/molmil-images/mine/3tki) | Crystal structure of Chk1 in complex with inhibitor S25 | 分子名称: | N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1 | 著者 | Yan, Y, Ikuta, M. | 登録日 | 2011-08-26 | 公開日 | 2012-04-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Pyridyl aminothiazoles as potent inhibitors of Chk1 with slow dissociation rates. Bioorg.Med.Chem.Lett., 22, 2012
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6UL8
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![BU of 6ul8 by Molmil](/molmil-images/mine/6ul8) | RIP2 kinase catalytic domain complex with (5S,6S,8R)-2-(benzo[d]thiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide | 分子名称: | (5S,6S,8R)-2-(1,3-benzothiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2 | 著者 | Shewchuk, L.M, Convery, M.A. | 登録日 | 2019-10-07 | 公開日 | 2019-12-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors. Acs Med.Chem.Lett., 10, 2019
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3TKH
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![BU of 3tkh by Molmil](/molmil-images/mine/3tkh) | Crystal structure of Chk1 in complex with inhibitor S01 | 分子名称: | 1-(morpholin-4-yl)-2-[4-(2-{[5-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}pyridin-4-yl)piperazin-1-yl]ethanone, SULFATE ION, Serine/threonine-protein kinase Chk1 | 著者 | Yan, Y, Ikuta, M. | 登録日 | 2011-08-26 | 公開日 | 2012-04-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Pyridyl aminothiazoles as potent inhibitors of Chk1 with slow dissociation rates. Bioorg.Med.Chem.Lett., 22, 2012
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3F9N
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![BU of 3f9n by Molmil](/molmil-images/mine/3f9n) | Crystal structure of chk1 kinase in complex with inhibitor 38 | 分子名称: | 3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3H)-one, SULFATE ION, Serine/threonine-protein kinase Chk1 | 著者 | Yan, Y, Munshi, S, Ikuta, M. | 登録日 | 2008-11-14 | 公開日 | 2009-01-20 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Development of thioquinazolinones, allosteric Chk1 kinase inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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2QHM
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![BU of 2qhm by Molmil](/molmil-images/mine/2qhm) | crystal structure of Chek1 in complex with inhibitor 2a | 分子名称: | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE, Serine/threonine-protein kinase Chk1 | 著者 | Yan, Y, Munshi, S. | 登録日 | 2007-07-02 | 公開日 | 2008-03-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Optimization of a pyrazoloquinolinone class of Chk1 kinase inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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6SZJ
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![BU of 6szj by Molmil](/molmil-images/mine/6szj) | |
6SZE
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![BU of 6sze by Molmil](/molmil-images/mine/6sze) | |
2QHN
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![BU of 2qhn by Molmil](/molmil-images/mine/2qhn) | Crystal Structure of Chek1 in Complex with Inhibitor 1a | 分子名称: | 5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE, Serine/threonine-protein kinase Chk1 | 著者 | Yan, Y, Munshi, S. | 登録日 | 2007-07-02 | 公開日 | 2008-03-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Optimization of a pyrazoloquinolinone class of Chk1 kinase inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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2R0U
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![BU of 2r0u by Molmil](/molmil-images/mine/2r0u) | Crystal Structure of Chek1 in Complex with Inhibitor 54 | 分子名称: | 6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one, Serine/threonine-protein kinase Chk1 | 著者 | Yan, Y, Ikuta, M. | 登録日 | 2007-08-21 | 公開日 | 2007-10-30 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Synthesis and evaluation of substituted benzoisoquinolinones as potent inhibitors of Chk1 kinase. Bioorg.Med.Chem.Lett., 17, 2007
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2HOG
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![BU of 2hog by Molmil](/molmil-images/mine/2hog) | crystal structure of Chek1 in complex with inhibitor 20 | 分子名称: | (5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL, Serine/threonine-protein kinase Chk1 | 著者 | Yan, Y, Ikuta, M. | 登録日 | 2006-07-14 | 公開日 | 2007-04-24 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 3-(Indol-2-yl)indazoles as Chek1 kinase inhibitors: Optimization of potency and selectivity via substitution at C6. Bioorg.Med.Chem.Lett., 16, 2006
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2HXL
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![BU of 2hxl by Molmil](/molmil-images/mine/2hxl) | crystal structure of Chek1 in complex with inhibitor 1 | 分子名称: | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)-1H-INDAZOLE-6-CARBONITRILE, Serine/threonine-protein kinase Chk1 | 著者 | Yan, Y. | 登録日 | 2006-08-03 | 公開日 | 2007-06-19 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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2HXQ
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![BU of 2hxq by Molmil](/molmil-images/mine/2hxq) | crystal structure of Chek1 in complex with inhibitor 2 | 分子名称: | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE, Serine/threonine-protein kinase Chk1 | 著者 | Yan, Y. | 登録日 | 2006-08-03 | 公開日 | 2007-06-19 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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2HY0
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![BU of 2hy0 by Molmil](/molmil-images/mine/2hy0) | crystal structure of chek1 in complex with inhibitor 22 | 分子名称: | 3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN-2(1H)-ONE, Serine/threonine-protein kinase Chk1 | 著者 | Yan, Y. | 登録日 | 2006-08-04 | 公開日 | 2007-06-19 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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5FPO
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![BU of 5fpo by Molmil](/molmil-images/mine/5fpo) | Structure of Bacterial DNA Ligase with small-molecule ligand 1H- indazol-7-amine (AT4213) in an alternate binding site. | 分子名称: | 1H-indazol-7-amine, DNA LIGASE | 著者 | Jhoti, H, Ludlow, R.F, Pathuri, P, Saini, H.K, Tickle, I.J, Tisi, D, Verdonk, M, Williams, P.A. | 登録日 | 2015-12-02 | 公開日 | 2015-12-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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5FPR
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![BU of 5fpr by Molmil](/molmil-images/mine/5fpr) | Structure of Bacterial DNA Ligase with small-molecule ligand pyrimidin-2-amine (AT371) in an alternate binding site. | 分子名称: | DNA LIGASE, PYRIMIDIN-2-AMINE, SULFATE ION | 著者 | Jhoti, H, Ludlow, R.F, Pathuri, P, Saini, H.K, Tickle, I.J, Tisi, D, Verdonk, M, Williams, P.A. | 登録日 | 2015-12-02 | 公開日 | 2015-12-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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