Author results

2BPM
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STRUCTURE OF CDK2-CYCLIN A WITH PHA-630529
分子名称:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE, ...
著者Cameron, A., Fogliatto, G., Pevarello, P., Brasca, M.G., Orsini, P., Traquandi, G., Longo, A., Nesi, M., Orzi, F., Piutti, C., Sansonna, P., Varasi, M., Vulpetti, A., Roletto, F., Alzani, R., Ciomei, M., Albanese, C., Pastori, W., Marsiglio, A., Pesenti, E., Fiorentini, F., Bischoff, J.R., Mercurio, C.
登録日2005-04-21
公開日2005-12-08
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献3-Aminopyrazole Inhibitors of Cdk2-Cyclin a as Antitumor Agents. 2. Lead Optimization
J.Med.Chem., 48, 2005
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
2C4G
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STRUCTURE OF CDK2-CYCLIN A WITH PHA-533514
分子名称:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, SULFATE ION, ...
著者Cameron, A., Fogliatto, G., Pevarello, P., Fancelli, D., Vulpetti, A., Amici, R., Villa, M., Pittala, V., Ciomei, M., Mercurio, C., Bischoff, J.R., Roletto, F., Varasi, M., Brasca, M.G.
登録日2005-10-19
公開日2005-11-23
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献3-Amino-1,4,5,6-Tetrahydropyrrolo[3,4-C]Pyrazoles: A New Class of Cdk2 Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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
4UV8
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LSD1(KDM1A)-COREST IN COMPLEX WITH 1-BENZYL-TRANYLCYPROMINE
分子名称:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4S)-5-[(4aS,10aS)-4a-[(1S)-3-azanylidene-1,4-diphenyl-butyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-5,10a-dihydro-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Vianello, P., Botrugno, O., Cappa, A., Ciossani, G., Dessanti, P., Mai, A., Mattevi, A., Meroni, G., Minucci, S., Thaler, F., Tortorici, M., Trifiro, P., Valente, S., Villa, M., Varasi, M., Mercurio, C.
登録日2014-08-05
公開日2014-09-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
4UV9
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LSD1(KDM1A)-COREST IN COMPLEX WITH 1-ETHYL-TRANYLCYPROMINE
分子名称:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS,10aS)-4a-[(1S,3E)-3-imino-1-phenylpentyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate
著者Vianello, P., Botrugno, O., Cappa, A., Ciossani, G., Dessanti, P., Mai, A., Mattevi, A., Meroni, G., Minucci, S., Thaler, F., Tortorici, M., Trifiro, P., Valente, S., Villa, M., Varasi, M., Mercurio, C.
登録日2014-08-05
公開日2014-09-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
4UVA
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LSD1(KDM1A)-COREST IN COMPLEX WITH 1-METHYL-TRANYLCYPROMINE (1R,2S)
分子名称:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS)-4a-[(1S,3E)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate
著者Vianello, P., Botrugno, O., Cappa, A., Ciossani, G., Dessanti, P., Mai, A., Mattevi, A., Meroni, G., Minucci, S., Thaler, F., Tortorici, M., Trifiro, P., Valente, S., Villa, M., Varasi, M., Mercurio, C.
登録日2014-08-05
公開日2014-09-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
4UVB
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LSD1(KDM1A)-COREST IN COMPLEX WITH 1-METHYL-TRANYLCYPROMINE (1S,2R)
分子名称:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,7aS)-1-amino-1,10,11-trimethyl-4,6-dioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
著者Vianello, P., Botrugno, O., Cappa, A., Ciossani, G., Dessanti, P., Mai, A., Mattevi, A., Meroni, G., Minucci, S., Thaler, F., Tortorici, M., Trifiro, P., Valente, S., Villa, M., Varasi, M., Mercurio, C.
登録日2014-08-05
公開日2014-09-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
4UVC
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LSD1(KDM1A)-COREST IN COMPLEX WITH 1-PHENYL-TRANYLCYPROMINE
分子名称:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-[(1S)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4aH-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
著者Vianello, P., Botrugno, O., Cappa, A., Ciossani, G., Dessanti, P., Mai, A., Mattevi, A., Meroni, G., Minucci, S., Thaler, F., Tortorici, M., Trifiro, P., Valente, S., Villa, M., Varasi, M., Mercurio, C.
登録日2014-08-05
公開日2014-09-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
4UXN
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LSD1(KDM1A)-COREST IN COMPLEX WITH Z-PRO DERIVATIVE OF MC2580
分子名称:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Rodriguez, V., Valente, S., Stazi, G., Lucidi, A., Mercurio, C., Vianello, P., Ciossani, G., Mattevi, A., Botrugno, O.A., Dessanti, P., Minucci, S., Varasi, M., Mai, A.
登録日2014-08-27
公開日2015-02-25
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Pyrrole- and Indole-Containing Tranylcypromine Derivatives as Novel Lysine-Specific Demethylase 1 Inhibitors Active on Cancer Cells
Chemmedchem, 6, 2015
3FT5
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STRUCTURE OF HSP90 BOUND WITH A NOVEL FRAGMENT
分子名称:Heat shock protein HSP 90-alpha, 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
著者Barker, J.B., Mather, O., Cheng, R.K.Y., Palan, S., Felicetti, B.
登録日2009-01-12
公開日2009-05-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-based Identification of Hsp90 Inhibitors.
Chemmedchem, 4, 2009
3FT8
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STRUCTURE OF HSP90 BOUND WITH A NOVAL FRAGMENT.
分子名称:Heat shock protein HSP 90-alpha, (5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime
著者Barker, J.B., Cheng, R.K.Y., Palan, S., Felicetti, B.
登録日2009-01-12
公開日2009-06-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-based identification of Hsp90 inhibitors.
Chemmedchem, 4, 2009
5LGN
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THIENO[3,2-B]PYRROLE-5-CARBOXAMIDES AS NOVEL REVERSIBLE INHIBITORS OF HISTONE LYSINE DEMETHYLASE KDM1A/LSD1: COMPOUND 19
分子名称:Lysine-specific histone demethylase 1A, REST corepressor 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Mattevi, A., Ciossani, G.
登録日2016-07-07
公開日2017-02-22
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 1: High-Throughput Screening and Preliminary Exploration.
J. Med. Chem., 60, 2017
5LGT
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THIENO[3,2-B]PYRROLE-5-CARBOXAMIDES AS NOVEL REVERSIBLE INHIBITORS OF HISTONE LYSINE DEMETHYLASE KDM1A/LSD1: COMPOUND 15
分子名称:Lysine-specific histone demethylase 1A, REST corepressor 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Mattevi, A., Ciossani, G.
登録日2016-07-08
公開日2017-02-22
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017
5LGU
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THIENO[3,2-B]PYRROLE-5-CARBOXAMIDES AS NOVEL REVERSIBLE INHIBITORS OF HISTONE LYSINE DEMETHYLASE KDM1A/LSD1: COMPOUND 34
分子名称:Lysine-specific histone demethylase 1A, REST corepressor 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Mattevi, A., Ciossani, G.
登録日2016-07-08
公開日2017-02-22
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017
5LHG
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STRUCTURE OF THE KDM1A/COREST COMPLEX WITH THE INHIBITOR 4-METHYL-N-[4-[[4-(1-METHYLPIPERIDIN-4-YL)OXYPHENOXY]METHYL]PHENYL]THIENO[3,2-B]PYRROLE-5-CARBOXAMIDE
分子名称:Lysine-specific histone demethylase 1A, REST corepressor 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Cecatiello, V., Pasqualato, S.
登録日2016-07-11
公開日2017-02-22
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017
5LHH
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STRUCTURE OF THE KDM1A/COREST COMPLEX WITH THE INHIBITOR 4-ETHYL-N-[3-(METHOXYMETHYL)-2-[[4-[[(3R)-PYRROLIDIN-3-YL]METHOXY]PHENOXY]METHYL]PHENYL]THIENO[3,2-B]PYRROLE-5-CARBOXAMIDE
分子名称:Lysine-specific histone demethylase 1A, REST corepressor 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Cecatiello, V., Pasqualato, S.
登録日2016-07-11
公開日2017-02-22
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017
5LHI
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STRUCTURE OF THE KDM1A/COREST COMPLEX WITH THE INHIBITOR N-[3-(ETHOXYMETHYL)-2-[[4-[[(3R)-PYRROLIDIN-3-YL]METHOXY]PHENOXY]METHYL]PHENYL]-4-METHYLTHIENO[3,2-B]PYRROLE-5-CARBOXAMIDE
分子名称:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, REST corepressor 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Cecatiello, V., Pasqualato, S.
登録日2016-07-12
公開日2017-02-22
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017