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2XAF
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CRYSTAL STRUCTURE OF LSD1-COREST IN COMPLEX WITH PARA-BROMO-(+)-CIS-2- PHENYLCYCLOPROPYL-1-AMINE
Descriptor:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, REST COREPRESSOR 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Binda, C., Valente, S., Romanenghi, M., Pilotto, S., Cirilli, R., Karytinos, A., Ciossani, G., Botrugno, O.A., Forneris, F., Tardugno, M., Edmondson, D.E., Minucci, S., Mattevi, A., Mai, A.
Deposit date:2010-03-31
Release date:2010-05-05
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2.
J.Am.Chem.Soc., 132, 2010
2XAG
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CRYSTAL STRUCTURE OF LSD1-COREST IN COMPLEX WITH PARA-BROMO-(-)-TRANS- 2-PHENYLCYCLOPROPYL-1-AMINE
Descriptor:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, REST COREPRESSOR 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Binda, C., Valente, S., Romanenghi, M., Pilotto, S., Cirilli, R., Karytinos, A., Ciossani, G., Botrugno, O.A., Forneris, F., Tardugno, M., Edmondson, D.E., Minucci, S., Mattevi, A., Mai, A.
Deposit date:2010-03-31
Release date:2010-05-05
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2.
J.Am.Chem.Soc., 132, 2010
2XAH
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CRYSTAL STRUCTURE OF LSD1-COREST IN COMPLEX WITH (+)-TRANS-2- PHENYLCYCLOPROPYL-1-AMINE
Descriptor:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, REST COREPRESSOR 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Binda, C., Valente, S., Romanenghi, M., Pilotto, S., Cirilli, R., Karytinos, A., Ciossani, G., Botrugno, O.A., Forneris, F., Tardugno, M., Edmondson, D.E., Minucci, S., Mattevi, A., Mai, A.
Deposit date:2010-03-31
Release date:2010-05-05
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2.
J.Am.Chem.Soc., 132, 2010
2XAJ
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CRYSTAL STRUCTURE OF LSD1-COREST IN COMPLEX WITH (-)-TRANS-2- PHENYLCYCLOPROPYL-1-AMINE
Descriptor:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, REST COREPRESSOR 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Binda, C., Valente, S., Romanenghi, M., Pilotto, S., Cirilli, R., Karytinos, A., Ciossani, G., Botrugno, O.A., Forneris, F., Tardugno, M., Edmondson, D.E., Minucci, S., Mattevi, A., Mai, A.
Deposit date:2010-03-31
Release date:2010-05-05
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2.
J.Am.Chem.Soc., 132, 2010
2XAQ
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CRYSTAL STRUCTURE OF LSD1-COREST IN COMPLEX WITH A TRANYLCYPROMINE DERIVATIVE (MC2584, 13B)
Descriptor:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, REST COREPRESSOR 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Binda, C., Valente, S., Romanenghi, M., Pilotto, S., Cirilli, R., Karytinos, A., Ciossani, G., Botrugno, O.A., Forneris, F., Tardugno, M., Edmondson, D.E., Minucci, S., Mattevi, A., Mai, A.
Deposit date:2010-03-31
Release date:2010-05-05
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2.
J.Am.Chem.Soc., 132, 2010
2XAS
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CRYSTAL STRUCTURE OF LSD1-COREST IN COMPLEX WITH A TRANYLCYPROMINE DERIVATIVE (MC2580, 14E)
Descriptor:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, REST COREPRESSOR 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Binda, C., Valente, S., Romanenghi, M., Pilotto, S., Cirilli, R., Karytinos, A., Ciossani, G., Botrugno, O.A., Forneris, F., Tardugno, M., Edmondson, D.E., Minucci, S., Mattevi, A., Mai, A.
Deposit date:2010-03-31
Release date:2010-05-05
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2.
J.Am.Chem.Soc., 132, 2010
4UV8
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LSD1(KDM1A)-COREST IN COMPLEX WITH 1-BENZYL-TRANYLCYPROMINE
Descriptor: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
Authors: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.
Deposit date:2014-08-05
Release date:2014-09-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: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
Authors: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.
Deposit date:2014-08-05
Release date:2014-09-10
Method:X-RAY DIFFRACTION (3 Å)
Cite: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)
Descriptor: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
Authors: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.
Deposit date:2014-08-05
Release date:2014-09-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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)
Descriptor: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
Authors: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.
Deposit date:2014-08-05
Release date:2014-09-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: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
Authors: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.
Deposit date:2014-08-05
Release date:2014-09-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
Descriptor:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors: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.
Deposit date:2014-08-27
Release date:2015-02-25
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Pyrrole- and Indole-Containing Tranylcypromine Derivatives as Novel Lysine-Specific Demethylase 1 Inhibitors Active on Cancer Cells
Chemmedchem, 6, 2015
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
Descriptor:Lysine-specific histone demethylase 1A, REST corepressor 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Cecatiello, V., Pasqualato, S.
Deposit date:2016-07-11
Release date:2017-02-22
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (3.34 Å)
Cite: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
Descriptor:Lysine-specific histone demethylase 1A, REST corepressor 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Cecatiello, V., Pasqualato, S.
Deposit date:2016-07-11
Release date:2017-02-22
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (3.05 Å)
Cite: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
Descriptor:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, REST corepressor 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Cecatiello, V., Pasqualato, S.
Deposit date:2016-07-12
Release date:2017-02-22
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (3.4 Å)
Cite: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
3FT5
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STRUCTURE OF HSP90 BOUND WITH A NOVEL FRAGMENT
Descriptor:Heat shock protein HSP 90-alpha, 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
Authors:Barker, J.B., Mather, O., Cheng, R.K.Y., Palan, S., Felicetti, B.
Deposit date:2009-01-12
Release date:2009-05-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based Identification of Hsp90 Inhibitors.
Chemmedchem, 4, 2009
3FT8
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STRUCTURE OF HSP90 BOUND WITH A NOVAL FRAGMENT.
Descriptor: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
Authors:Barker, J.B., Cheng, R.K.Y., Palan, S., Felicetti, B.
Deposit date:2009-01-12
Release date:2009-06-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor:Lysine-specific histone demethylase 1A, REST corepressor 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Mattevi, A., Ciossani, G.
Deposit date:2016-07-07
Release date:2017-02-22
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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
Descriptor:Lysine-specific histone demethylase 1A, REST corepressor 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Mattevi, A., Ciossani, G.
Deposit date:2016-07-08
Release date:2017-02-22
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor:Lysine-specific histone demethylase 1A, REST corepressor 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Mattevi, A., Ciossani, G.
Deposit date:2016-07-08
Release date:2017-02-22
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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