Author results

5MAF
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CRYSTAL STRUCTURE OF MELK IN COMPLEX WITH AN INHIBITOR
分子名称:Maternal embryonic leucine zipper kinase, DIMETHYL SULFOXIDE, CHLORIDE ION, ...
著者Canevari, G., Re Depaolini, S., Casale, E., Felder, E., Kuster, B., Heinzlmeir, S.
登録日2016-11-03
公開日2017-12-06
最終更新日2017-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
5MAG
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CRYSTAL STRUCTURE OF MELK IN COMPLEX WITH AN INHIBITOR
分子名称: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, ...
著者Canevari, G., Re Depaolini, S., Casale, E., Felder, E., Kuster, B., Heinzlmeir, S.
登録日2016-11-03
公開日2017-12-06
最終更新日2017-12-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
5MAH
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CRYSTAL STRUCTURE OF MELK IN COMPLEX WITH AN INHIBITOR
分子名称: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, ...
著者Canevari, G., Re Depaolini, S., Casale, E., Felder, E., Kuster, B., Heinzlmeir, S.
登録日2016-11-03
公開日2017-12-06
最終更新日2017-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
5MAI
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CRYSTAL STRUCTURE OF MELK IN COMPLEX WITH AN INHIBITOR
分子名称: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
著者Canevari, G., Re Depaolini, S., Casale, E., Felder, E., Kuster, B., Heinzlmeir, S.
登録日2016-11-03
公開日2017-12-06
最終更新日2017-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
1FYR
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DIMER FORMATION THROUGH DOMAIN SWAPPING IN THE CRYSTAL STRUCTURE OF THE GRB2-SH2 AC-PYVNV COMPLEX
分子名称:GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2, HEPATOCYTE GROWTH FACTOR RECEPTOR PEPTIDE
著者Schiering, N., Casale, E., Caccia, P., Giordano, P., Battistini, C.
登録日2000-10-03
公開日2000-12-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Dimer formation through domain swapping in the crystal structure of the Grb2-SH2-Ac-pYVNV complex.
Biochemistry, 39, 2000
1UMA
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ALPHA-THROMBIN (HIRUGEN) COMPLEXED WITH NA-(N,N-DIMETHYLCARBAMOYL)-ALPHA-AZALYSINE
分子名称:ALPHA-THROMBIN, HIRUDIN I, N-ACETYL-D-GLUCOSAMINE, ...
著者Nardini, M., Pesce, A., Rizzi, M., Casale, E., Ferraccioli, R., Balliano, G., Milla, P., Ascenzi, P., Bolognesi, M.
登録日1996-03-26
公開日1996-11-08
最終更新日2011-11-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human alpha-thrombin inhibition by the active site titrant N alpha-(N,N-dimethylcarbamoyl)-alpha-azalysine p-nitrophenyl ester: a comparative kinetic and X-ray crystallographic study.
J.Mol.Biol., 258, 1996
2BTR
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STRUCTURE OF CDK2 COMPLEXED WITH PNU-198873
分子名称:CELL DIVISION PROTEIN KINASE 2, N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE
著者Vulpetti, A., Casale, E., Roletto, F., Amici, R., Villa, M., Pevarello, P.
登録日2005-06-06
公開日2005-11-09
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Based Drug Design to the Discovery of New 2-Aminothiazole Cdk2 Inhibitors.
J.Mol.Graph.Model., 24, 2006
2BTS
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STRUCTURE OF CDK2 COMPLEXED WITH PNU-230032
分子名称:CELL DIVISION PROTEIN KINASE 2, 4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE
著者Vulpetti, A., Casale, E., Roletto, F., Amici, R., Villa, M., Pevarello, P.
登録日2005-06-06
公開日2005-11-09
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure-Based Drug Design to the Discovery of New 2-Aminothiazole Cdk2 Inhibitors.
J.Mol.Graph.Model., 24, 2006
2V7A
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CRYSTAL STRUCTURE OF THE T315I ABL MUTANT IN COMPLEX WITH THE INHIBITOR PHA-739358
分子名称:PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1, N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE, MAGNESIUM ION
著者Modugno, M., Casale, E., Soncini, C., Rosettani, P., Colombo, R., Lupi, R., Rusconi, L., Fancelli, D., Carpinelli, P., Cameron, A.D., Isacchi, A., Moll, J.
登録日2007-07-27
公開日2007-09-18
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the T315I Abl Mutant in Complex with the Aurora Kinases Inhibitor Pha-739358.
Cancer Res., 67, 2007
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
2XCH
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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2011-07-13
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
2XCK
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CRYSTAL STRUCTURE OF PDK1 IN COMPLEX WITH A PYRAZOLOQUINAZOLINE INHIBITOR
分子名称:3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, 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, 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2011-07-13
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
4BKY
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CRYSTAL STRUCTURE OF UNPHOSPHORYLATED MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE (MELK) IN COMPLEX WITH PYRROLOPYRAZOLE INHIBITOR
分子名称:MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE, 3'-{[(4-bromo-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-N-[(1S)-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1',4'-dihydro-5'H-spiro[cyclopropane-1,6'-pyrrolo[3,4-c]pyrazole]-5'-carboxamide, UNKNOWN ATOM OR ION
著者Canevari, G., Re Depaolini, S., Cucchi, U., Forte, B., Carpinelli, P., Bertrand, J.A.
登録日2013-04-30
公開日2013-08-21
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural Insight Into Maternal Embryonic Leucine Zipper Kinase (Melk) Conformation and Inhibition Towards Structure- Based Drug Design.
Biochemistry, 52, 2013
4BKZ
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CRYSTAL STRUCTURE OF UNPHOSPHORYLATED MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE (MELK) IN COMPLEX WITH A BENZODIPYRAZOLE INHIBITOR
分子名称:MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE, N-(3-aminopropyl)-8-[(3-fluorophenyl)amino]-2,4,5,7-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide
著者Canevari, G., Re Depaolini, S., Cucchi, U., Forte, B., Carpinelli, P., Bertrand, J.A.
登録日2013-04-30
公開日2013-08-21
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Insight Into Maternal Embryonic Leucine Zipper Kinase (Melk) Conformation and Inhibition Towards Structure- Based Drug Design.
Biochemistry, 52, 2013
5LBW
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STRUCTURE OF THE HUMAN QUINONE REDUCTASE 2 (NQO2) IN COMPLEX WITH VOLITINIB
分子名称:Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Schneider, S., Medard, G., Kuester, B.
登録日2016-06-17
公開日2017-11-29
最終更新日2017-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
5LBY
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STRUCTURE OF THE HUMAN QUINONE REDUCTASE 2 (NQO2) IN COMPLEX WITH CRENOLANIB
分子名称:Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Schneider, S., Medard, G., Kuester, B.
登録日2016-06-17
公開日2017-11-29
最終更新日2017-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
5LBZ
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STRUCTURE OF THE HUMAN QUINONE REDUCTASE 2 (NQO2) IN COMPLEX WITH PACRITINIB
分子名称:Ribosyldihydronicotinamide dehydrogenase [quinone], FLAVIN-ADENINE DINUCLEOTIDE, 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene, ...
著者Schneider, S., Medard, G., Kuster, B.
登録日2016-06-17
公開日2017-11-29
最終更新日2017-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
1LHS
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LOGGERHEAD SEA TURTLE MYOGLOBIN (AQUO-MET)
分子名称:MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
著者Nardini, M., Tarricone, C., Lania, A., Desideri, A., De Sanctis, G., Coletta, M., Petruzzelli, R., Ascenzi, P., Coda, A., Bolognesi, M.
登録日1995-02-01
公開日1995-06-03
最終更新日2012-02-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Reptile heme protein structure: X-ray crystallographic study of the aquo-met and cyano-met derivatives of the loggerhead sea turtle (Caretta caretta) myoglobin at 2.0 A resolution.
J.Mol.Biol., 247, 1995
1LHT
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LOGGERHEAD SEA TURTLE MYOGLOBIN (CYANO-MET)
分子名称:MYOGLOBIN, CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE
著者Nardini, M., Tarricone, C., Lania, A., Desideri, A., De Sanctis, G., Coletta, M., Petruzzelli, R., Ascenzi, P., Coda, A., Bolognesi, M.
登録日1995-02-01
公開日1995-06-03
最終更新日2017-02-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Reptile heme protein structure: X-ray crystallographic study of the aquo-met and cyano-met derivatives of the loggerhead sea turtle (Caretta caretta) myoglobin at 2.0 A resolution.
J.Mol.Biol., 247, 1995
1FLP
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STRUCTURE OF THE SULFIDE-REACTIVE HEMOGLOBIN FROM THE CLAM LUCINA PECTINATA: CRYSTALLOGRAPHIC ANALYSIS AT 1.5 ANGSTROMS RESOLUTION
分子名称:HEMOGLOBIN I (AQUO MET), PROTOPORPHYRIN IX CONTAINING FE
著者Rizzi, M., Wittenberg, J.B., Ascenzi, P., Fasano, M., Coda, A., Bolognesi, M.
登録日1994-05-16
公開日1994-07-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of the sulfide-reactive hemoglobin from the clam Lucina pectinata. Crystallographic analysis at 1.5 A resolution.
J.Mol.Biol., 244, 1994
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