Author results

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
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
6HHE
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CRYSTAL STRUCTURE OF THE MEDFLY ODORANT BINDING PROTEIN CCAPOBP22/CCAPOBP69A
Descriptor:Odorant binding protein OBP69a, SULFATE ION, 2-(2-METHOXYETHOXY)ETHANOL
Authors:Falchetto, M., Ciossani, G., Nenci, S., Mattevi, A., Gasperi, G., Forneris, F.
Deposit date:2018-08-28
Release date:2018-12-26
Last modified:2019-06-05
Method:X-RAY DIFFRACTION (1.516 Å)
Cite:Structural and biochemical evaluation of Ceratitis capitata odorant-binding protein 22 affinity for odorants involved in intersex communication.
Insect Mol.Biol., 28, 2019
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
3ZMS
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LSD1-COREST IN COMPLEX WITH INSM1 PEPTIDE
Descriptor:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, INSULINOMA-ASSOCIATED PROTEIN 1, ...
Authors:Tortorici, M., Borrello, M.T., Tardugno, M., Chiarelli, L.R., Pilotto, S., Ciossani, G., Vellore, N.A., Cowan, J., O'Connell, M., Mai, A., Baron, R., Ganesan, A., Mattevi, A.
Deposit date:2013-02-12
Release date:2013-06-12
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase.
Acs Chem.Biol., 8, 2013
3ZMT
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LSD1-COREST IN COMPLEX WITH PRSFLV PEPTIDE
Descriptor:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, PEPTIDE, ...
Authors:Tortorici, M., Borrello, M.T., Tardugno, M., Chiarelli, L.R., Pilotto, S., Ciossani, G., Vellore, N.A., Cowan, J., O'Connell, M., Mai, A., Baron, R., Ganesan, A., Mattevi, A.
Deposit date:2013-02-12
Release date:2013-06-12
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase.
Acs Chem.Biol., 8, 2013
3ZMU
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LSD1-COREST IN COMPLEX WITH PKSFLV PEPTIDE
Descriptor:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, PKSFLV PEPTIDE, ...
Authors:Tortorici, M., Borrello, M.T., Tardugno, M., Chiarelli, L.R., Pilotto, S., Ciossani, G., Vellore, N.A., Cowan, J., O'Connell, M., Mai, A., Baron, R., Ganesan, A., Mattevi, A.
Deposit date:2013-02-12
Release date:2013-06-12
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase.
Acs Chem.Biol., 8, 2013
3ZMV
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LSD1-COREST IN COMPLEX WITH PLSFLV PEPTIDE
Descriptor:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, PKSFLV PEPTIDE, ...
Authors:Tortorici, M., Borrello, M.T., Tardugno, M., Chiarelli, L.R., Pilotto, S., Ciossani, G., Vellore, N.A., Cowan, J., O'Connell, M., Mai, A., Baron, R., Ganesan, A., Mattevi, A.
Deposit date:2013-02-12
Release date:2013-06-12
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase.
Acs Chem.Biol., 8, 2013
3ZMZ
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LSD1-COREST IN COMPLEX WITH PRSFAV PEPTIDE
Descriptor:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, PEPTIDE, ...
Authors:Tortorici, M., Borrello, M.T., Tardugno, M., Chiarelli, L.R., Pilotto, S., Ciossani, G., Vellore, N.A., Cowan, J., O'Connell, M., Mai, A., Baron, R., Ganesan, A., Mattevi, A.
Deposit date:2013-02-13
Release date:2013-06-12
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase.
Acs Chem.Biol., 8, 2013
3ZN0
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LSD1-COREST IN COMPLEX WITH PRSFAA PEPTIDE
Descriptor:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, PEPTIDE, ...
Authors:Tortorici, M., Borrello, M.T., Tardugno, M., Chiarelli, L.R., Pilotto, S., Ciossani, G., Vellore, N.A., Cowan, J., O'Connell, M., Mai, A., Baron, R., Ganesan, A., Mattevi, A.
Deposit date:2013-02-13
Release date:2013-06-12
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase.
Acs Chem.Biol., 8, 2013
3ZN1
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LSD1-COREST IN COMPLEX WITH PRLYLV PEPTIDE
Descriptor:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, PEPTIDE, ...
Authors:Tortorici, M., Borrello, M.T., Tardugno, M., Chiarelli, L.R., Pilotto, S., Ciossani, G., Vellore, N.A., Cowan, J., O'Connell, M., Mai, A., Baron, R., Ganesan, A., Mattevi, A.
Deposit date:2013-02-13
Release date:2013-06-12
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase.
Acs Chem.Biol., 8, 2013
4CZZ
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HISTONE DEMETHYLASE LSD1(KDM1A)-COREST3 COMPLEX
Descriptor:LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 3, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Barrios, A.P., Gomez, A.V., Saez, J.E., Ciossani, G., Toffolo, E., Battaglioli, E., Mattevi, A., Andres, M.E.
Deposit date:2014-04-23
Release date:2014-06-11
Last modified:2014-10-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Differential Properties of Transcriptional Complexes Formed by the Corest Family.
Mol.Cell.Biol., 34, 2014
5L3E
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LSD1-COREST1 IN COMPLEX WITH QUINAZOLINE-DERIVATIVE REVERSIBLE INHIBITOR
Descriptor:Lysine-specific histone demethylase 1A, REST corepressor 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Speranzini, V., Rotili, D., Ciossani, G., Pilotto, S., Forgione, M., Lucidi, A., Forneris, F., Velankar, S., Mai, A., Mattevi, A.
Deposit date:2016-04-10
Release date:2016-09-21
Last modified:2016-10-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
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