Author results

5AEP
  • Download 5aep
  • View 5aep
Molmil generated image of 5aep
NOVEL PYRROLE CARBOXAMIDE INHIBITORS OF JAK2 AS POTENTIAL TREATMENT OF MYELOPROLIFERATIVE DISORDERS
Descriptor:TYROSINE-PROTEIN KINASE JAK2, 1-(5-chloro-2-methylphenyl)-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-pyrrole-2-carboxamide
Authors: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.
Deposit date:2015-01-08
Release date:2015-04-29
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Novel Pyrrole Carboxamide Inhibitors of Jak2 as Potential Treatment of Myeloproliferative Disorders.
Bioorg.Med.Chem., 23, 2015
4BQG
  • Download 4bqg
  • View 4bqg
Molmil generated image of 4bqg
STRUCTURE OF HSP90 WITH AN INHIBITOR BOUND
Descriptor:HSP90AA1 PROTEIN, 5-(3,4-dichloro-phenoxy)-benzene-1,3-diol
Authors: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.
Deposit date:2013-05-30
Release date:2013-10-23
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Nms-E973 as Novel, Selective and Potent Inhibitor of Heat Shock Protein 90 (Hsp90).
Bioorg.Med.Chem., 21, 2013
4BQJ
  • Download 4bqj
  • View 4bqj
Molmil generated image of 4bqj
STRUCTURE OF HSP90 WITH AN INHIBITOR BOUND
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide
Authors: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.
Deposit date:2013-05-30
Release date:2013-10-23
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Nms-E973 as Novel, Selective and Potent Inhibitor of Heat Shock Protein 90 (Hsp90).
Bioorg.Med.Chem., 21, 2013
4CQE
  • Download 4cqe
  • View 4cqe
Molmil generated image of 4cqe
B-RAF KINASE V600E MUTANT IN COMPLEX WITH A DIARYLTHIAZOLE B-RAF INHIBITOR
Descriptor: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
Authors: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.
Deposit date:2014-02-14
Release date:2014-12-10
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
4CWF
  • Download 4cwf
  • View 4cwf
Molmil generated image of 4cwf
HUMAN HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN AMINOTRIAZOLOQUINAZOLINE INHIBITOR
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine
Authors: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.
Deposit date:2014-04-02
Release date:2014-07-09
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWN
  • Download 4cwn
  • View 4cwn
Molmil generated image of 4cwn
HUMAN HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN AMINOTRIAZOLOQUINAZOLINE INHIBITOR
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine
Authors: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.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWO
  • Download 4cwo
  • View 4cwo
Molmil generated image of 4cwo
HUMAN HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN AMINOTRIAZOLOQUINAZOLINE INHIBITOR
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-ylmethyl)-benzene-1,3-diol
Authors: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.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWP
  • Download 4cwp
  • View 4cwp
Molmil generated image of 4cwp
HUMAN HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN AMINOTRIAZOLOQUINAZOLINE INHIBITOR
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine
Authors: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.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWQ
  • Download 4cwq
  • View 4cwq
Molmil generated image of 4cwq
HUMAN HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN AMINOTRIAZOLOQUINAZOLINE INHIBITOR
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide
Authors: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.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWR
  • Download 4cwr
  • View 4cwr
Molmil generated image of 4cwr
HUMAN HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN AMINOTRIAZOLOQUINAZOLINE INHIBITOR
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro[1,2,4]triazolo[1,5-c]quinazolin-2-amine
Authors: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.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWS
  • Download 4cws
  • View 4cws
Molmil generated image of 4cws
HUMAN HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN AMINOTRIAZOLOQUINAZOLINE INHIBITOR
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol
Authors: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.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWT
  • Download 4cwt
  • View 4cwt
Molmil generated image of 4cwt
HUMAN HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN AMINOTRIAZOLOQUINAZOLINE INHIBITOR
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 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
Authors: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.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
2WIH
  • Download 2wih
  • View 2wih
Molmil generated image of 2wih
STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125
Descriptor: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, ...
Authors: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.
Deposit date:2009-05-13
Release date:2009-07-28
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
  • Download 2wip
  • View 2wip
Molmil generated image of 2wip
STRUCTURE OF CDK2-CYCLIN A COMPLEXED WITH 8-ANILINO-1-METHYL-4,5-DIHYDRO- 1H-PYRAZOLO[4,3-H] QUINAZOLINE-3-CARBOXYLIC ACID
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid, ...
Authors: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.
Deposit date:2009-05-14
Release date:2009-07-28
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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