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4ZZX
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STRUCTURE OF PARP2 CATALYTIC DOMAIN BOUND TO AN ISOINDOLINONE INHIBITOR
分子名称:POLY [ADP-RIBOSE] POLYMERASE 2, 2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
著者Casale, E., Fasolini, M., Papeo, G., Posteri, H., Borghi, D., Busel, A.A., Caprera, F., Ciomei, M., Cirla, A., Corti, E., DAnello, M., Fasolini, M., Felder, E.R., Forte, B., Galvani, A., Isacchi, A., Khvat, A., Krasavin, M.Y., Lupi, R., Orsini, P., Perego, R., Pesenti, E., Pezzetta, D., Rainoldi, S., RiccardiSirtori, F., Scolaro, A., Sola, F., Zuccotto, F., Donati, D., Montagnoli, A.
登録日2015-04-15
公開日2015-08-12
最終更新日2019-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy.
J.Med.Chem., 58, 2015
4ZZY
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STRUCTURE OF HUMAN PARP2 CATALYTIC DOMAIN BOUND TO AN ISOINDOLINONE INHIBITOR
分子名称:POLY [ADP-RIBOSE] POLYMERASE 2, 2-[1-(4,4-Difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
著者Casale, E., Fasolini, M., Papeo, G., Posteri, H., Borghi, D., Busel, A.A., Caprera, F., Ciomei, M., Cirla, A., Corti, E., DAnello, M., Fasolini, M., Felder, E.R., Forte, B., Galvani, A., Isacchi, A., Khvat, A., Krasavin, M.Y., Lupi, R., Orsini, P., Perego, R., Pesenti, E., Pezzetta, D., Rainoldi, S., RiccardiSirtori, F., Scolaro, A., Sola, F., Zuccotto, F., Donati, D., Montagnoli, A.
登録日2015-04-15
公開日2015-08-12
最終更新日2015-09-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy.
J.Med.Chem., 58, 2015
4ZZZ
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STRUCTURE OF HUMAN PARP1 CATALYTIC DOMAIN BOUND TO AN ISOINDOLINONE INHIBITOR
分子名称:POLY [ADP-RIBOSE] POLYMERASE 1, SULFATE ION, GLYCEROL, ...
著者Casale, E., Fasolini, M., Papeo, G., Posteri, H., Borghi, D., Busel, A.A., Caprera, F., Ciomei, M., Cirla, A., Corti, E., DAnello, M., Fasolini, M., Felder, E.R., Forte, B., Galvani, A., Isacchi, A., Khvat, A., Krasavin, M.Y., Lupi, R., Orsini, P., Perego, R., Pesenti, E., Pezzetta, D., Rainoldi, S., RiccardiSirtori, F., Scolaro, A., Sola, F., Zuccotto, F., Donati, D., Montagnoli, A.
登録日2015-04-15
公開日2015-08-12
最終更新日2019-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy.
J.Med.Chem., 58, 2015
5A00
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STRUCTURE OF HUMAN PARP1 CATALYTIC DOMAIN BOUND TO AN ISOINDOLINONE INHIBITOR
分子名称:POLY [ADP-RIBOSE] POLYMERASE 1, 2-[1-(4,4-Difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide, SULFATE ION
著者Casale, E., Fasolini, M., Papeo, G., Posteri, H., Borghi, D., Busel, A.A., Caprera, F., Ciomei, M., Cirla, A., Corti, E., DAnello, M., Fasolini, M., Felder, E.R., Forte, B., Galvani, A., Isacchi, A., Khvat, A., Krasavin, M.Y., Lupi, R., Orsini, P., Perego, R., Pesenti, E., Pezzetta, D., Rainoldi, S., RiccardiSirtori, F., Scolaro, A., Sola, F., Zuccotto, F., Donati, D., Montagnoli, A.
登録日2015-04-15
公開日2015-08-12
最終更新日2019-03-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy.
J.Med.Chem., 58, 2015
1VYW
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STRUCTURE OF CDK2/CYCLIN A WITH PNU-292137
分子名称:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, SULFATE ION, ...
著者Pevarello, P., Brasca, M.G., Amici, R., Orsini, P., Traquandi, G., Corti, L., Piutti, C., Sansonna, P., Villa, M., Pierce, B.S., Pulici, M., Giordano, P., Martina, K., Fritzen, E.L., Nugent, R.A., Casale, E., Cameron, A., Ciomei, M., Roletto, F., Isacchi, A., Fogliatto, G., Pesenti, E., Pastori, W., Marsiglio, A., Leach, K.L., Clare, P.M., Fiorentini, F., Varasi, M., Vulpetti, A., Warpehoski, M.A.
登録日2004-05-07
公開日2004-06-10
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献3-Aminopyrazole Inhibitors of Cdk2/Cyclin a as Antitumor Agents. Part 1. Lead Finding
J.Med.Chem., 47, 2004
1VYZ
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STRUCTURE OF CDK2 COMPLEXED WITH PNU-181227
分子名称:CELL DIVISION PROTEIN KINASE 2, N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE
著者Pevarello, P., Brasca, M.G., Amici, R., Orsini, P., Traquandi, G., Corti, L., Piutti, C., Sansonna, P., Villa, M., Pierce, B.S., Pulici, M., Giordano, G., Martina, K., Lfritzen, E., Nugent, R.A., Casale, E., Cameron, A., Ciomei, M., Roletto, F., Isacchi, A., Fogliatto, G., Pesenti, E., Pastori, W., Marsiglio, W., Leach, K.L., Clare, P.M., Fiorentini, F., Varasi, M., Vulpetti, A., Warpehoski, M.A.
登録日2004-05-07
公開日2004-06-17
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献3-Aminopyrazole Inhibitors of Cdk2/Cyclin a as Antitumor Agents. 1. Lead Finding
J.Med.Chem., 47, 2004
2WIH
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STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125
分子名称:CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ...
著者Brasca, M.G., Amboldi, N., Ballinari, D., Cameron, A.D., Casale, E., Cervi, G., Colombo, M., Colotta, F., Croci, V., Dalessio, R., Fiorentini, F., Isacchi, A., Mercurio, C., Moretti, W., Panzeri, A., Pastori, W., Pevarello, P., Quartieri, F., Roletto, F., Traquandi, G., Vianello, P., Vulpetti, A., Ciomei, M.
登録日2009-05-13
公開日2009-07-28
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.
J.Med.Chem., 52, 2009
2WIP
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STRUCTURE OF CDK2-CYCLIN A COMPLEXED WITH 8-ANILINO-1-METHYL-4,5-DIHYDRO- 1H-PYRAZOLO[4,3-H] QUINAZOLINE-3-CARBOXYLIC ACID
分子名称:CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid, ...
著者Brasca, M.G., Amboldi, N., Ballinari, D., Cameron, A.D., Casale, E., Cervi, G., Colombo, M., Colotta, F., Croci, V., Dalessio, R., Fiorentini, F., Isacchi, A., Mercurio, C., Moretti, W., Panzeri, A., Pastori, W., Pevarello, P., Quartieri, F., Roletto, F., Traquandi, G., Vianello, P., Vulpetti, A., Ciomei, M.
登録日2009-05-14
公開日2009-07-28
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.
J.Med.Chem., 52, 2009
2WXV
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STRUCTURE OF CDK2-CYCLIN A WITH A PYRAZOLO(4,3-H) QUINAZOLINE-3- CARBOXAMIDE INHIBITOR
分子名称:CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1-DIMETHYL-8-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ...
著者Traquandi, G., Ciomei, M., Ballinari, D., Casale, E., Colombo, N., Croci, V., Fiorentini, F., Isacchi, A., Longo, A., Mercurio, C., Panzeri, A., Pastori, W., Pevarello, P., Volpi, D., Roussel, P., Vulpetti, A., Brasca, M.G.
登録日2009-11-10
公開日2010-02-23
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of Potent Pyrazolo[4,3-H]Quinazoline-3-Carboxamides as Multi-Cyclin-Dependent Kinase Inhibitors.
J.Med.Chem., 53, 2010
4B7P
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STRUCTURE OF HSP90 WITH NMS-E973 INHIBITOR BOUND
分子名称:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
著者Fogliatto, G., Gianellini, L., Brasca, M.G., Casale, E., Ballinari, D., Ciomei, M., Degrassi, A., De Ponti, A., Germani, M., Guanci, M., Paolucci, M., Polucci, P., Russo, M., Sola, F., Valsasina, B., Visco, C., Zuccotto, F., Donati, D., Felder, E., Galvani, A., Pesenti, E., Mantegani, S., Isacchi, A.
登録日2012-08-21
公開日2013-05-29
最終更新日2013-07-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Nms-E973, a Novel Synthetic Inhibitor of Hsp90 with Activity in Models of Drug Resistance to Targeted Agents, Including Intracranial Metastases.
Clin.Cancer Res., 19, 2013
4BQG
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STRUCTURE OF HSP90 WITH AN INHIBITOR BOUND
分子名称:HSP90AA1 PROTEIN, 5-(3,4-dichloro-phenoxy)-benzene-1,3-diol
著者Casale, E., Brasca, M.G., Mantegani, S., Amboldi, N., Bindi, S., Caronni, D., Ceccarelli, W., Colombo, N., DePonti, A., Donati, D., Ermoli, A., Fachin, G., Felder, E.R., Ferguson, R.D., Fiorelli, C., Guanci, M., Isacchi, A., Pesenti, E., Polucci, P., Riceputi, L., Sola, F., Visco, C., Zuccotto, F., Fogliatto, G.
登録日2013-05-30
公開日2013-10-23
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Nms-E973 as Novel, Selective and Potent Inhibitor of Heat Shock Protein 90 (Hsp90).
Bioorg.Med.Chem., 21, 2013
4BQJ
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STRUCTURE OF HSP90 WITH AN INHIBITOR BOUND
分子名称:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide
著者Casale, E., Brasca, M.G., Mantegani, S., Amboldi, N., Bindi, S., Caronni, D., Ceccarelli, W., Colombo, N., DePonti, A., Donati, D., Ermoli, A., Fachin, G., Felder, E.R., Ferguson, R.D., Fiorelli, C., Guanci, M., Isacchi, A., Pesenti, E., Polucci, P., Riceputi, L., Sola, F., Visco, C., Zuccotto, F., Fogliatto, G.
登録日2013-05-30
公開日2013-10-23
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Nms-E973 as Novel, Selective and Potent Inhibitor of Heat Shock Protein 90 (Hsp90).
Bioorg.Med.Chem., 21, 2013
4CQE
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B-RAF KINASE V600E MUTANT IN COMPLEX WITH A DIARYLTHIAZOLE B-RAF INHIBITOR
分子名称:SLC45A3-BRAF FUSION PROTEIN, N-{4-[2-(1-cyclopropylpiperidin-4-yl)-4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-yl}acetamide
著者Casale, E., Fasolini, M., Pulici, M., Traquandi, G., Marchionni, C., Modugno, M., Lupi, R., Amboldi, N., Colombo, N., Corti, L., Gasparri, F., Pastori, W., Scolaro, A., Donati, D., Felder, E., Galvani, A., Isacchi, A., Pesenti, E., Ciomei, M.
登録日2014-02-14
公開日2014-12-10
最終更新日2019-01-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Optimization of Diarylthiazole B-Raf Inhibitors: Identification of a Compound Endowed with High Oral Antitumor Activity, Mitigated Herg Inhibition, and Low Paradoxical Effect.
Chemmedchem, 10, 2015
4D0W
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PYRROLE-3-CARBOXAMIDES AS POTENT AND SELECTIVE JAK2 INHIBITORS
分子名称:TYROSINE-PROTEIN KINASE JAK2, GLYCEROL, 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide
著者Bertrand, J., Canevari, G., Fasolini, M., Brasca, M.G., Nesi, M., Avanzi, N., Ballinari, D., Bandiera, T., Bindi, S., Carenzi, D., Casero, D., Ceriani, L., Ciomei, M., Cirla, A., Colombo, M., Cribioli, S., Cristiani, C., Della Vedova, F., Fachin, G., Felder, E.R., Galvani, A., Isacchi, A., Mirizzi, D., Motto, I., Panzeri, A., Pesenti, E., Vianello, P., Gnocchi, P., Donati, D.
登録日2014-04-30
公開日2014-07-23
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4D0X
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PYRROLE-3-CARBOXAMIDES AS POTENT AND SELECTIVE JAK2 INHIBITORS
分子名称:TYROSINE-PROTEIN KINASE JAK2, 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide, GLYCEROL
著者Canevari, G., Fasolini, M., Bertrand, J., Brasca, M.G., Nesi, M., Avanzi, N., Ballinari, D., Bandiera, T., Bindi, S., Carenzi, D., Casero, D., Ceriani, L., Ciomei, M., Cirla, A., Colombo, M., Cribioli, S., Cristiani, C., Della Vedova, F., Fachin, G., Felder, E.R., Galvani, A., Isacchi, A., Mirizzi, D., Motto, I., Panzeri, A., Pesenti, E., Vianello, P., Gnocchi, P., Donati, D.
登録日2014-04-30
公開日2014-07-23
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4D1S
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PYRROLE-3-CARBOXAMIDES AS POTENT AND SELECTIVE JAK2 INHIBITORS
分子名称:TYROSINE-PROTEIN KINASE JAK2, 2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrrole-3-carboxamide
著者Bertrand, J., Canevari, G., Fasolini, M., Brasca, M.G., Nesi, M., Avanzi, N., Ballinari, D., Bandiera, T., Bindi, S., Carenzi, D., Casero, D., Ceriani, L., Ciomei, M., Cirla, A., Colombo, M., Cribioli, S., Cristiani, C., Della Vedova, F., Fachin, G., Felder, E.R., Galvani, A., Isacchi, A., Mirizzi, D., Motto, I., Panzeri, A., Pesenti, E., Vianello, P., Gnocchi, P., Donati, D.
登録日2014-05-05
公開日2014-07-23
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
5AEP
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NOVEL PYRROLE CARBOXAMIDE INHIBITORS OF JAK2 AS POTENTIAL TREATMENT OF MYELOPROLIFERATIVE DISORDERS
分子名称:TYROSINE-PROTEIN KINASE JAK2, 1-(5-chloro-2-methylphenyl)-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-pyrrole-2-carboxamide
著者Canevari, G., Bertrand, J., Brasca, M.G., Nesi, M., Amboldi, N., Avanzi, N., Bindi, S., Casero, D., Ciomei, M., Colombo, N., Cribioli, S., Fachin, G., Felder, E.R., Galvani, A., Isacchi, A., Motto, I., Panzeri, A., Gnocchi, P., Donati, D.
登録日2015-01-08
公開日2015-04-29
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Novel Pyrrole Carboxamide Inhibitors of Jak2 as Potential Treatment of Myeloproliferative Disorders.
Bioorg.Med.Chem., 23, 2015
5FTO
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CRYSTAL STRUCTURE OF THE ALK KINASE DOMAIN IN COMPLEX WITH ENTRECTINIB
分子名称:ALK TYROSINE KINASE RECEPTOR, Entrectinib
著者Bossi, R., Canevari, G., Fasolini, M., Menichincheri, M., Ardini, E., Magnaghi, P., Avanzi, N., Banfi, P., Buffa, L., Ceriani, L., Colombo, M., Corti, L., Donati, D., Felder, E., Fiorelli, C., Fiorentini, F., Galvani, A., Isacchi, A., Lombardi Borgia, A., Marchionni, C., Nesi, M., Orrenius, C., Panzeri, A., Perrone, E., Pesenti, E., Rusconi, L., Saccardo, M.B., Vanotti, E., Orsini, P.
登録日2016-01-14
公開日2016-04-06
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor.
J.Med.Chem., 59, 2016
5FTQ
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CRYSTAL STRUCTURE OF THE ALK KINASE DOMAIN IN COMPLEX WITH CMPD 17
分子名称:ALK TYROSINE KINASE RECEPTOR, N-[5-(3,5-DIFLUOROBENZYL)-1H-INDAZOL-3-YL]-2-[(4-HYDROXYCYCLOHEXYL)AMINO]-4-(4-METHYLPIPERAZIN-1-YL) BENZAMIDE, GLYCEROL
著者Bossi, R., Canevari, G., Fasolini, M., Menichincheri, M., Ardini, E., Magnaghi, P., Avanzi, N., Banfi, P., Buffa, L., Ceriani, L., Colombo, M., Corti, L., Donati, D., Felder, E., Fiorelli, C., Fiorentini, F., Galvani, A., Isacchi, A., Lombardi Borgia, A., Marchionni, C., Nesi, M., Orrenius, C., Panzeri, A., Perrone, E., Pesenti, E., Rusconi, L., Saccardo, M.B., Vanotti, E., Orsini, P.
登録日2016-01-14
公開日2016-04-06
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor.
J.Med.Chem., 59, 2016
2WPA
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OPTIMISATION OF 6,6-DIMETHYL PYRROLO 3,4-C PYRAZOLES: IDENTIFICATION OF PHA-793887, A POTENT CDK INHIBITOR SUITABLE FOR INTRAVENOUS DOSING
分子名称:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, SULFATE ION, ...
著者Brasca, M.G., Albanese, C., Alzani, R., Amici, R., Avanzi, N., Ballinari, D., Bischoff, J., Borghi, D., Casale, E., Croci, V., Fiorentini, F., Isacchi, A., Mercurio, C., Nesi, M., Orsini, P., Pastori, W., Pesenti, E., Pevarello, P., Roussel, P., Varasi, M., Volpi, D., Vulpetti, A., Ciomei, M.
登録日2009-08-03
公開日2010-02-23
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Optimization of 6,6-Dimethyl Pyrrolo[3,4-C]Pyrazoles: Identification of Pha-793887, a Potent Cdk Inhibitor Suitable for Intravenous Dosing.
Bioorg.Med.Chem., 18, 2010
2X9E
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HUMAN MPS1 IN COMPLEX WITH NMS-P715
分子名称:DUAL SPECIFICITY PROTEIN KINASE TTK, N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE
著者Colombo, R., Caldarelli, M., Mennecozzi, M., Giorgini, M.L., Sola, F., Cappella, P., Perrera, C., DePaolini, S.R., Rusconi, L., Cucchi, U., Avanzi, N., Bertrand, J.A., Bossi, R.T., Pesenti, E., Galvani, A., Isacchi, A., Colotta, F., Donati, D., Moll, J.
登録日2010-03-17
公開日2010-12-29
最終更新日2019-03-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Targeting the Mitotic Checkpoint for Cancer Therapy with Nms-P715, an Inhibitor of Mps1 Kinase.
Cancer Res., 70, 2010
4CWF
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HUMAN HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN AMINOTRIAZOLOQUINAZOLINE INHIBITOR
分子名称:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine
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2017-06-28
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
4CWN
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HUMAN HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN AMINOTRIAZOLOQUINAZOLINE INHIBITOR
分子名称:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine
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2017-06-28
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
4CWO
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HUMAN HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN AMINOTRIAZOLOQUINAZOLINE INHIBITOR
分子名称:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-ylmethyl)-benzene-1,3-diol
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2017-06-28
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
4CWP
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HUMAN HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN AMINOTRIAZOLOQUINAZOLINE INHIBITOR
分子名称:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine
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2017-06-28
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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