Author results

1OHV
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4-AMINOBUTYRATE-AMINOTRANSFERASE FROM PIG
分子名称:4-AMINOBUTYRATE AMINOTRANSFERASE, ACETATE ION, PYRIDOXAL-5'-PHOSPHATE, ...
著者Storici, P., Schirmer, T.
登録日2003-06-02
公開日2003-10-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of {Gamma}-Aminobutyric Acid (Gaba) Aminotransferase, a Pyridoxal 5'-Phosphate, and [2Fe-2S] Cluster-Containing Enzyme, Complexed with {Gamma}-Ethynyl-Gaba and with the Antiepilepsy Drug Vigabatrin
J.Biol.Chem., 279, 2004
1OHW
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4-AMINOBUTYRATE-AMINOTRANSFERASE INACTIVATED BY GAMMA-VINYL GABA
分子名称:4-AMINOBUTYRATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE, 4-AMINO HEXANOIC ACID, ...
著者Storici, P., Schirmer, T.
登録日2003-06-03
公開日2003-10-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of {Gamma}-Aminobutyric Acid (Gaba) Aminotransferase, a Pyridoxal 5'-Phosphate, and [2Fe-2S] Cluster-Containing Enzyme, Complexed with {Gamma}-Ethynyl-Gaba and with the Antiepilepsy Drug Vigabatrin
J.Biol.Chem., 279, 2004
1OHY
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4-AMINOBUTYRATE-AMINOTRANSFERASE INACTIVATED BY GAMMA-ETHYNYL GABA
分子名称:4-AMINOBUTYRATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE, (4E)-4-AMINOHEX-4-ENOIC ACID, ...
著者Storici, P., Schirmer, T.
登録日2003-06-03
公開日2003-10-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of {Gamma}-Aminobutyric Acid (Gaba) Aminotransferase, a Pyridoxal 5'-Phosphate, and [2Fe-2S] Cluster-Containing Enzyme, Complexed with {Gamma}-Ethynyl-Gaba and with the Antiepilepsy Drug Vigabatrin
J.Biol.Chem., 279, 2004
2OAT
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ORNITHINE AMINOTRANSFERASE COMPLEXED WITH 5-FLUOROMETHYLORNITHINE
分子名称:ORNITHINE AMINOTRANSFERASE, 1-AMINO-7-(2-METHYL-3-OXIDO-5-((PHOSPHONOXY)METHYL)-4-PYRIDOXAL-5-OXO-6-HEPTENATE
著者Storici, P., Schirmer, T.
登録日1998-05-07
公開日1998-12-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of human ornithine aminotransferase complexed with the highly specific and potent inhibitor 5-fluoromethylornithine.
J.Mol.Biol., 285, 1999
2BMC
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AURORA-2 T287D T288D COMPLEXED WITH PHA-680632
分子名称:SERINE THREONINE-PROTEIN KINASE 6, (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE
著者Cameron, A.D., Izzo, G., Sagliano, A., Rusconi, L., Storici, P., Fancelli, D., Berta, D., Bindi, S., Catana, C., Forte, B., Giordano, P., Mantegani, S., Meroni, M., Moll, J., Pittala, V., Severino, D., Tonani, R., Varasi, M., Vulpetti, A., Vianello, P.
登録日2005-03-11
公開日2005-03-17
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Potent and Selective Aurora Inhibitors Identified by the Expansion of a Novel Scaffold for Protein Kinase Inhibition.
J.Med.Chem., 48, 2005
2J4Z
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STRUCTURE OF AURORA-2 IN COMPLEX WITH PHA-680626
分子名称:SERINE THREONINE-PROTEIN KINASE 6, 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE, ARSENIC
著者Cameron, A.D., Izzo, G., Storici, P., Rusconi, L., Fancelli, D., Varasi, M., Berta, D., Bindi, S., Forte, B., Severino, D., Tonani, R., Vianello, P.
登録日2006-09-08
公開日2006-11-06
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles: identification of a potent Aurora kinase inhibitor with a favorable antitumor kinase inhibition profile.
J. Med. Chem., 49, 2006
2J50
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STRUCTURE OF AURORA-2 IN COMPLEX WITH PHA-739358
分子名称:SERINE/THREONINE-PROTEIN KINASE 6, N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE, SULFATE ION
著者Cameron, A.D., Izzo, G., Storici, P., Rusconi, L., Fancelli, D., Varasi, M., Berta, D., Bindi, S., Forte, B., Severino, D., Tonani, R., Vianello, P.
登録日2006-09-08
公開日2006-11-06
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献1,4,5,6-Tetrahydropyrrolo[3,4-C]Pyrazoles: Identification of a Potent Aurora Kinase Inhibitor with a Favorable Antitumor Kinase Inhibition Profile.
J.Med.Chem., 49, 2006
2XRU
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AURORA-A T288E COMPLEXED WITH PHA-828300
分子名称:SERINE/THREONINE-PROTEIN KINASE 6, 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE
著者Bindi, S., Fancelli, D., Alli, C., Berta, D., Bertrand, J.A., Cameron, A.D., Cappella, P., Carpinelli, P., Cervi, G., Croci, W., D'Anello, M., Forte, B., LauraGiorgini, M., Marsiglio, A., Moll, J., Pesenti, E., Pittala, V., Pulici, M., Riccardi-Sirtori, F., Roletto, F., Soncini, C., Storici, P., Varasi, M., Volpi, D., Zugnoni, P., Vianello, P.
登録日2010-09-22
公開日2010-09-29
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Thieno[3,2-C]Pyrazoles: A Novel Class of Aurora Inhibitors with Favorable Antitumor Activity.
Bioorg.Med.Chem., 18, 2010
6H0U
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GLYCOGEN SYNTHASE KINASE-3 BETA (GSK3) COMPLEX WITH A COVALENT [1,2,4]TRIAZOLO[1,5-A][1,3,5]TRIAZINE INHIBITOR
分子名称:Glycogen synthase kinase-3 beta, (2~{R})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide, MALONATE ION, ...
著者Marcovich, I., Demitri, N., De Zorzi, R., Storici, P.
登録日2018-07-10
公開日2019-05-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Triazolotriazine-Based Dual GSK-3 beta /CK-1 delta Ligand as a Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition.
Chemmedchem, 14, 2019
1B8G
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1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNTHASE
分子名称:PROTEIN (1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNTHASE), PYRIDOXAL-5'-PHOSPHATE
著者Capitani, G., Hohenester, E., Feng, L., Storici, P., Kirsch, J.F., Jansonius, J.N.
登録日1999-01-31
公開日2000-01-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure of 1-aminocyclopropane-1-carboxylate synthase, a key enzyme in the biosynthesis of the plant hormone ethylene.
J.Mol.Biol., 294, 1999
2J1N
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OSMOPORIN OMPC
分子名称:OUTER MEMBRANE PROTEIN C, MAGNESIUM ION, CHLORIDE ION, ...
著者Basle, A., Storici, P., Rummel, G., Rosenbusch, J.P., Schirmer, T.
登録日2006-08-15
公開日2006-09-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Osmoporin Ompc from E. Coli at 2.0 A.
J.Mol.Biol., 362, 2006
6EGR
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CRYSTAL STRUCTURE OF CITROBACTER FREUNDII METHIONINE GAMMA-LYASE WITH V358Y REPLACEMENT
分子名称:Methionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE, TRIETHYLENE GLYCOL, ...
著者Revtovich, S.V., Demitri, N., Raboni, S., Nikulin, A.D., Morozova, E.A., Demidkina, T.V., Storici, P., Mozzarelli, A.
登録日2017-09-12
公開日2018-10-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of Citrobacter freundii methionine gamma-lyase with V358Y replacement
To Be Published
6HK3
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CRYSTAL STRUCTURE OF GSK-3B IN COMPLEX WITH PYRAZINE INHIBITOR C44
分子名称:Glycogen synthase kinase-3 beta, GLY-SER-HIS-GLY-HIS-HIS-HIS-HIS, 3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, ...
著者Piretti, V., Giabbai, B., Demitri, N., Di Martino, R., Tripathi, S.K., Gobbo, D., Decherchi, S., Storici, P., Girotto, S., Cavalli, A.
登録日2018-09-05
公開日2019-07-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 2019
6HK4
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CRYSTAL STRUCTURE OF GSK-3B IN COMPLEX WITH PYRAZINE INHIBITOR C22
分子名称:Glycogen synthase kinase-3 beta, GLY-SER-HIS-GLY-HIS-HIS-HIS-HIS-HIS, MALONATE ION, ...
著者Piretti, V., Giabbai, B., Demitri, N., Di Martino, R., Tripathi, S.K., Gobbo, D., Decherchi, S., Storici, P., Girotto, S., Cavalli, A.
登録日2018-09-05
公開日2019-07-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 2019
6HK7
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CRYSTAL STRUCTURE OF GSK-3B IN COMPLEX WITH PYRAZINE INHIBITOR C50
分子名称:Glycogen synthase kinase-3 beta, GLYCEROL, DIMETHYL SULFOXIDE, ...
著者Piretti, V., Giabbai, B., Demitri, N., Di Martino, R., Tripathi, S.K., Gobbo, D., Decherchi, S., Storici, P., Girotto, S., Cavalli, A.
登録日2018-09-05
公開日2019-07-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 2019
3KB7
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CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A PYRAZOLOQUINAZOLINE INHIBITOR
分子名称:Serine/threonine-protein kinase PLK1, 8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide, ZINC ION, ...
著者Bossi, R.T., Bertrand, J.A.
登録日2009-10-20
公開日2010-05-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as a new class of orally and selective Polo-like kinase 1 inhibitors
J.Med.Chem., 53, 2010
5CHT
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CRYSTAL STRUCTURE OF USP18
分子名称:Ubl carboxyl-terminal hydrolase 18, ZINC ION
著者Fritz, G., Basters, A.
登録日2015-07-10
公開日2016-06-29
最終更新日2017-03-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of the specificity of USP18 toward ISG15.
Nat. Struct. Mol. Biol., 24, 2017
5CHV
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CRYSTAL STRUCTURE OF USP18-ISG15 COMPLEX
分子名称:Ubl carboxyl-terminal hydrolase 18, Ubiquitin-like protein ISG15, ZINC ION, ...
著者Fritz, G., Basters, A.
登録日2015-07-10
公開日2016-09-28
最終更新日2017-03-15
実験手法X-RAY DIFFRACTION (3.005 Å)
主引用文献Structural basis of the specificity of USP18 toward ISG15.
Nat. Struct. Mol. Biol., 24, 2017
6F6U
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CRYSTAL STRUCTURE OF THE PDE4D CATALYTIC DOMAIN IN COMPLEX WITH GEBR-7B
分子名称:cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ZINC ION, ...
著者Prosdocimi, T., Donini, S., Parisini, E.
登録日2017-12-06
公開日2018-05-16
最終更新日2018-05-23
実験手法X-RAY DIFFRACTION (1.828 Å)
主引用文献Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
6F8R
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CRYSTAL STRUCTURE OF THE PDE4D CATALYTIC DOMAIN IN COMPLEX WITH GEBR-54
分子名称:cAMP-specific 3',5'-cyclic phosphodiesterase 4D, (2~{S})-1-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol, MAGNESIUM ION, ...
著者Prosdocimi, T., Donini, S., Parisini, E.
登録日2017-12-13
公開日2018-05-16
最終更新日2018-05-23
実験手法X-RAY DIFFRACTION (1.826 Å)
主引用文献Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
6F8T
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CRYSTAL STRUCTURE OF THE PDE4D CATALYTIC DOMAIN IN COMPLEX WITH GEBR-4A
分子名称:cAMP-specific 3',5'-cyclic phosphodiesterase 4D, ZINC ION, MAGNESIUM ION, ...
著者Prosdocimi, T., Donini, S., Parisini, E.
登録日2017-12-13
公開日2018-05-16
最終更新日2018-05-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
6F8U
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CRYSTAL STRUCTURE OF THE PDE4D CATALYTIC DOMAIN IN COMPLEX WITH GEBR-20B
分子名称:cAMP-specific 3',5'-cyclic phosphodiesterase 4D, ZINC ION, MAGNESIUM ION, ...
著者Prosdocimi, T., Donini, S., Parisini, E.
登録日2017-12-13
公開日2018-05-16
最終更新日2018-05-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
6F8V
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CRYSTAL STRUCTURE OF THE PDE4D CATALYTIC DOMAIN IN COMPLEX WITH GEBR-18B
分子名称:cAMP-specific 3',5'-cyclic phosphodiesterase 4D, ZINC ION, MAGNESIUM ION, ...
著者Prosdocimi, T., Donini, S., Parisini, E.
登録日2017-12-13
公開日2018-05-16
最終更新日2018-05-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
6F8W
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CRYSTAL STRUCTURE OF THE PDE4D CATALYTIC DOMAIN IN COMPLEX WITH GEBR-18A
分子名称:cAMP-specific 3',5'-cyclic phosphodiesterase 4D, ZINC ION, MAGNESIUM ION, ...
著者Prosdocimi, T., Donini, S., Parisini, E.
登録日2017-12-13
公開日2018-05-16
最終更新日2018-05-23
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
6F8X
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CRYSTAL STRUCTURE OF THE PDE4D CATALYTIC DOMAIN IN COMPLEX WITH GEBR-26G
分子名称:cAMP-specific 3',5'-cyclic phosphodiesterase 4D, ZINC ION, MAGNESIUM ION, ...
著者Prosdocimi, T., Donini, S., Parisini, E.
登録日2017-12-13
公開日2018-05-16
最終更新日2018-05-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
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