Author results

4B7P
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STRUCTURE OF HSP90 WITH NMS-E973 INHIBITOR BOUND
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
Authors: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.
Deposit date:2012-08-21
Release date:2013-05-29
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
4CQE
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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
5FTO
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CRYSTAL STRUCTURE OF THE ALK KINASE DOMAIN IN COMPLEX WITH ENTRECTINIB
Descriptor:ALK TYROSINE KINASE RECEPTOR, Entrectinib
Authors: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.
Deposit date:2016-01-14
Release date:2016-04-06
Last modified:2016-04-27
Method:X-RAY DIFFRACTION (2.22 Å)
Cite: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
Descriptor:ALK TYROSINE KINASE RECEPTOR, N-[5-(3,5-DIFLUOROBENZYL)-1H-INDAZOL-3-YL]-2-[(4-HYDROXYCYCLOHEXYL)AMINO]-4-(4-METHYLPIPERAZIN-1-YL) BENZAMIDE, GLYCEROL
Authors: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.
Deposit date:2016-01-14
Release date:2016-04-06
Last modified:2016-04-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
5M5A
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CRYSTAL STRUCTURE OF MELK IN COMPLEX WITH AN INHIBITOR
Descriptor:Maternal embryonic leucine zipper kinase, SODIUM ION, CHLORIDE ION, ...
Authors:Canevari, G., Re Depaolini, S., Casale, E., Felder, E., Kuster, B., Heinzlmeir, S.
Deposit date:2016-10-21
Release date:2017-12-06
Last modified:2017-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The target landscape of clinical kinase drugs.
Science, 358, 2017
5MAF
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CRYSTAL STRUCTURE OF MELK IN COMPLEX WITH AN INHIBITOR
Descriptor:Maternal embryonic leucine zipper kinase, DIMETHYL SULFOXIDE, CHLORIDE ION, ...
Authors:Canevari, G., Re Depaolini, S., Casale, E., Felder, E., Kuster, B., Heinzlmeir, S.
Deposit date:2016-11-03
Release date:2017-12-06
Last modified:2017-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The target landscape of clinical kinase drugs.
Science, 358, 2017
5MAG
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CRYSTAL STRUCTURE OF MELK IN COMPLEX WITH AN INHIBITOR
Descriptor:Maternal embryonic leucine zipper kinase, ~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide, DIMETHYL SULFOXIDE, ...
Authors:Canevari, G., Re Depaolini, S., Casale, E., Felder, E., Kuster, B., Heinzlmeir, S.
Deposit date:2016-11-03
Release date:2017-12-06
Last modified:2017-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The target landscape of clinical kinase drugs.
Science, 358, 2017
5MAH
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CRYSTAL STRUCTURE OF MELK IN COMPLEX WITH AN INHIBITOR
Descriptor:Maternal embryonic leucine zipper kinase, ~{N}-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide, GLYCEROL, ...
Authors:Canevari, G., Re Depaolini, S., Casale, E., Felder, E., Kuster, B., Heinzlmeir, S.
Deposit date:2016-11-03
Release date:2017-12-06
Last modified:2017-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The target landscape of clinical kinase drugs.
Science, 358, 2017
5MAI
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CRYSTAL STRUCTURE OF MELK IN COMPLEX WITH AN INHIBITOR
Descriptor:Maternal embryonic leucine zipper kinase, DIMETHYL SULFOXIDE, 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide
Authors:Canevari, G., Re Depaolini, S., Casale, E., Felder, E., Kuster, B., Heinzlmeir, S.
Deposit date:2016-11-03
Release date:2017-12-06
Last modified:2017-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The target landscape of clinical kinase drugs.
Science, 358, 2017