2M1A
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4BZO
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![BU of 4bzo by Molmil](/molmil-images/mine/4bzo) | Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone inhibitor | 分子名称: | N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE, SERINE/THREONINE-PROTEIN KINASE PIM-1 | 著者 | Casale, E, Casuscelli, F, Ardini, E, Avanzi, N, Cervi, G, D'Anello, M, Donati, D, Faiardi, D, Ferguson, R.D, Fogliatto, G, Galvani, A, Marsiglio, A, Mirizzi, D.G, Montemartini, M, Orrenius, C, Papeo, G, Piutti, C, Salom, B, Felder, E.R. | 登録日 | 2013-07-29 | 公開日 | 2013-10-30 | 最終更新日 | 2013-11-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery and Optimization of Pyrrolo[1,2-A]Pyrazinones Leads to Novel and Selective Inhibitors of Pim Kinases. Bioorg.Med.Chem., 21, 2013
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4BZN
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![BU of 4bzn by Molmil](/molmil-images/mine/4bzn) | Crystal structure of PIM1 in complex with a Pyrrolo(1,2-a)Pyrazinone inhibitor | 分子名称: | N-(2,2-dimethylpropyl)-2-[1-oxo-7-(thiophen-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide, SERINE/THREONINE-PROTEIN KINASE PIM-1 | 著者 | Casale, E, Casuscelli, F, Ardini, E, Avanzi, N, Cervi, G, D'Anello, M, Donati, D, Faiardi, D, Ferguson, R.D, Fogliatto, G, Galvani, A, Marsiglio, A, Mirizzi, D.G, Montemartini, M, Orrenius, C, Papeo, G, Piutti, C, Salom, B, Felder, E.R. | 登録日 | 2013-07-29 | 公開日 | 2013-10-30 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery and Optimization of Pyrrolo[1,2-A]Pyrazinones Leads to Novel and Selective Inhibitors of Pim Kinases. Bioorg.Med.Chem., 21, 2013
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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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2XCH
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![BU of 2xch by Molmil](/molmil-images/mine/2xch) | Crystal structure of PDK1 in complex with a pyrazoloquinazoline inhibitor | 分子名称: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, 8-(CYCLOHEXA-2,5-DIEN-1-YLIDENEAMINO)-1-(PIPERIDIN-4-YLMETHYL)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, 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 Å) | 主引用文献 | Structure-Based Optimization of Potent Pdk1 Inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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4CWF
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![BU of 4cwf by Molmil](/molmil-images/mine/4cwf) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | 分子名称: | 5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | 登録日 | 2014-04-02 | 公開日 | 2014-07-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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4CWR
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![BU of 4cwr by Molmil](/molmil-images/mine/4cwr) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | 分子名称: | 5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | 登録日 | 2014-04-03 | 公開日 | 2014-07-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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4CWP
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![BU of 4cwp by Molmil](/molmil-images/mine/4cwp) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | 分子名称: | 5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | 登録日 | 2014-04-03 | 公開日 | 2014-07-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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4CWO
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![BU of 4cwo by Molmil](/molmil-images/mine/4cwo) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | 分子名称: | 5-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-ylmethyl)-benzene-1,3-diol, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | 登録日 | 2014-04-03 | 公開日 | 2014-07-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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4CWN
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![BU of 4cwn by Molmil](/molmil-images/mine/4cwn) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | 分子名称: | 5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | 登録日 | 2014-04-03 | 公開日 | 2014-07-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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4CWT
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![BU of 4cwt by Molmil](/molmil-images/mine/4cwt) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | 分子名称: | 2-{[(2Z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | 登録日 | 2014-04-03 | 公開日 | 2014-07-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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4CWQ
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![BU of 4cwq by Molmil](/molmil-images/mine/4cwq) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | 分子名称: | 2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | 登録日 | 2014-04-03 | 公開日 | 2014-07-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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4CWS
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![BU of 4cws by Molmil](/molmil-images/mine/4cws) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | 分子名称: | 2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | 登録日 | 2014-04-03 | 公開日 | 2014-07-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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7ZUN
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![BU of 7zun by Molmil](/molmil-images/mine/7zun) | Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone compound | 分子名称: | (4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol, Isoform 2 of Serine/threonine-protein kinase pim-1 | 著者 | Casale, E. | 登録日 | 2022-05-12 | 公開日 | 2022-10-05 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Stereoselective synthesis of 3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one derivatives as PIM kinase inhibitors inspired from marine alkaloids. Chirality, 34, 2022
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