5IIS
| Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl-amide scaffold | 分子名称: | 3-amino-N-(2'-amino-6'-methyl[4,4'-bipyridin]-3-yl)-6-(2-fluorophenyl)pyridine-2-carboxamide, DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase pim-1 | 著者 | Bellamacina, C, Bussiere, D, Burger, M. | 登録日 | 2016-03-01 | 公開日 | 2016-04-06 | 最終更新日 | 2016-05-04 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl carboxamide scaffold. Bioorg.Med.Chem.Lett., 26, 2016
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3T9I
| Pim1 complexed with a novel 3,6-disubstituted indole at 2.6 Ang Resolution | 分子名称: | 2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol, Proto-oncogene serine/threonine-protein kinase pim-1 | 著者 | Bellamacina, C, Shu, W, Le, V, Nishiguchi, G, Bussiere, D. | 登録日 | 2011-08-02 | 公開日 | 2011-10-12 | 最終更新日 | 2011-11-02 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of novel 3,5-disubstituted indole derivatives as potent inhibitors of Pim-1, Pim-2, and Pim-3 protein kinases. Bioorg.Med.Chem.Lett., 21, 2011
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5DWR
| Identification of N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1,2 and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies | 分子名称: | N-{4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1 | 著者 | Bellamacina, C, Bussiere, D, Burger, M. | 登録日 | 2015-09-22 | 公開日 | 2015-11-11 | 最終更新日 | 2015-11-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Identification of N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1, 2, and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies. J.Med.Chem., 58, 2015
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7LHZ
| K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid (compound 25) | 分子名称: | (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*GP*AP*TP*CP*AP*TP*AP*CP*AP*AP*CP*GP*TP*AP*A)-3'), ... | 著者 | Noeske, J, Shu, W, Bellamacina, C. | 登録日 | 2021-01-26 | 公開日 | 2021-05-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Discovery and Optimization of DNA Gyrase and Topoisomerase IV Inhibitors with Potent Activity against Fluoroquinolone-Resistant Gram-Positive Bacteria. J.Med.Chem., 64, 2021
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6WAA
| K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and compound 34 (7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one) | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one, CHLORIDE ION, ... | 著者 | Noeske, J, Shu, W, Bellamacina, C. | 登録日 | 2020-03-24 | 公開日 | 2020-07-15 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria. J.Med.Chem., 63, 2020
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1RKX
| Crystal Structure at 1.8 Angstrom of CDP-D-glucose 4,6-dehydratase from Yersinia pseudotuberculosis | 分子名称: | CDP-glucose-4,6-dehydratase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Vogan, E.M, Bellamacina, C, He, X, Liu, H.W, Ringe, D, Petsko, G.A. | 登録日 | 2003-11-23 | 公開日 | 2004-03-30 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structure at 1.8 A Resolution of CDP-d-Glucose 4,6-Dehydratase from Yersinia pseudotuberculosis Biochemistry, 43, 2004
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4W7T
| Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990 | 分子名称: | (7S)-2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6H)-one, Heat shock protein HSP 90-alpha | 著者 | Bellamacina, C.R, Shafer, C.M, Bussiere, D. | 登録日 | 2014-08-22 | 公開日 | 2014-11-26 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design, Structure-Activity Relationship, and in Vivo Characterization of the Development Candidate NVP-HSP990. J.Med.Chem., 57, 2014
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4U93
| Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990 | 分子名称: | (7R)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5(6H)-one, Heat shock protein HSP 90-alpha | 著者 | Bellamacina, C.R, Shafer, C.M, Bussiere, D. | 登録日 | 2014-08-05 | 公開日 | 2014-11-19 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Design, Structure-Activity Relationship, and in Vivo Characterization of the Development Candidate NVP-HSP990. J.Med.Chem., 57, 2014
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3DCV
| Crystal structure of human Pim1 kinase complexed with 4-(4-hydroxy-3-methyl-phenyl)-6-phenylpyrimidin-2(1H)-one | 分子名称: | 4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one, Proto-oncogene serine/threonine-protein kinase Pim-1 | 著者 | Bellamacina, C.R, Shafer, C.M, Lindvall, M, Gesner, T.G, Yabannavar, A, Weiping, J, Song, L, Walter, A. | 登録日 | 2008-06-04 | 公開日 | 2008-08-19 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | 4-(1H-indazol-5-yl)-6-phenylpyrimidin-2(1H)-one analogs as potent CDC7 inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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4ZLO
| Serine/threonine-protein kinase PAK1 complexed with a dibenzodiazepine: identification of an allosteric site on PAK1 | 分子名称: | 2,8-difluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, GLYCEROL, Serine/threonine-protein kinase PAK 1 | 著者 | Bellamacina, C.R, Bussiere, D.E. | 登録日 | 2015-05-01 | 公開日 | 2015-08-05 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor. Acs Med.Chem.Lett., 6, 2015
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4N70
| Pim1 Complexed with a pyridylcarboxamide | 分子名称: | N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1 | 著者 | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | 登録日 | 2013-10-14 | 公開日 | 2013-11-06 | 最終更新日 | 2014-07-02 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors. ACS Med Chem Lett, 4, 2013
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4N6Y
| Pim1 Complexed with a phenylcarboxamide | 分子名称: | 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1 | 著者 | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | 登録日 | 2013-10-14 | 公開日 | 2013-11-06 | 最終更新日 | 2014-07-02 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors. ACS Med Chem Lett, 4, 2013
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4N6Z
| Pim1 Complexed with a pyridylcarboxamide | 分子名称: | 3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide, GLYCEROL, Serine/threonine-protein kinase pim-1 | 著者 | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | 登録日 | 2013-10-14 | 公開日 | 2013-11-06 | 最終更新日 | 2014-07-02 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors. ACS Med Chem Lett, 4, 2013
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6MAE
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5BUI
| ERK2 complexed with 2-pyridiyl tetrahydroazaindazole | 分子名称: | 3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase 1, NICKEL (II) ION | 著者 | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | 登録日 | 2015-06-03 | 公開日 | 2015-07-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase. Bioorg.Med.Chem.Lett., 25, 2015
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5BUE
| ERK2 complexed with N-benzylpyridone tetrahydroazaindazole | 分子名称: | 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1, NICKEL (II) ION | 著者 | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | 登録日 | 2015-06-03 | 公開日 | 2015-07-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase. Bioorg.Med.Chem.Lett., 25, 2015
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5BUJ
| ERK2 complexed with a N-H tetrahydroazaindazole | 分子名称: | 4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1 | 著者 | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | 登録日 | 2015-06-03 | 公開日 | 2015-07-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase. Bioorg.Med.Chem.Lett., 25, 2015
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4ZJJ
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4ZJI
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3K3B
| Co-crystal structure of the human kinesin Eg5 with a novel tetrahydro-beta-carboline | 分子名称: | 3-[(1R)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]phenol, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | 著者 | Bussiere, D.E, Bellamacina, C, Le, V. | 登録日 | 2009-10-02 | 公開日 | 2009-12-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The discovery of tetrahydro-beta-carbolines as inhibitors of the kinesin Eg5. Bioorg.Med.Chem.Lett., 20, 2010
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