Author results

3UAV
  • Download 3uav
  • View 3uav
Molmil generated image of 3uav
CRYSTAL STRUCTURE OF ADENOSINE PHOSPHORYLASE FROM BACILLUS CEREUS
分子名称:Purine nucleoside phosphorylase deoD-type, SULFATE ION, GLYCEROL
著者Dessanti, P., Zhang, Y., Allegrini, S., Tozzi, M.G., Sgarrella, F., Ealick, S.E.
登録日2011-10-22
公開日2012-02-29
最終更新日2012-03-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
3UAW
  • Download 3uaw
  • View 3uaw
Molmil generated image of 3uaw
CRYSTAL STRUCTURE OF ADENOSINE PHOSPHORYLASE FROM BACILLUS CEREUS COMPLEXED WITH ADENOSINE
分子名称:Purine nucleoside phosphorylase deoD-type, ADENOSINE, SULFATE ION, ...
著者Dessanti, P., Zhang, Y., Allegrini, S., Tozzi, M.G., Sgarrella, F., Ealick, S.E.
登録日2011-10-22
公開日2012-02-29
最終更新日2012-03-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
3UAX
  • Download 3uax
  • View 3uax
Molmil generated image of 3uax
CRYSTAL STRUCTURE OF ADENOSINE PHOSPHORYLASE FROM BACILLUS CEREUS COMPLEXED WITH INOSINE
分子名称:Purine nucleoside phosphorylase deoD-type, INOSINE, SULFATE ION, ...
著者Dessanti, P., Zhang, Y., Allegrini, S., Tozzi, M.G., Sgarrella, F., Ealick, S.E.
登録日2011-10-22
公開日2012-02-29
最終更新日2012-03-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
3UAY
  • Download 3uay
  • View 3uay
Molmil generated image of 3uay
CRYSTAL STRUCTURE OF BACILLUS CEREUS ADENOSINE PHOSPHORYLASE D204N MUTANT COMPLEXED WITH ADENOSINE
分子名称:Purine nucleoside phosphorylase deoD-type, ADENOSINE, SULFATE ION, ...
著者Dessanti, P., Zhang, Y., Allegrini, S., Tozzi, M.G., Sgarrella, F., Ealick, S.E.
登録日2011-10-22
公開日2012-02-29
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
3UAZ
  • Download 3uaz
  • View 3uaz
Molmil generated image of 3uaz
CRYSTAL STRUCTURE OF BACILLUS CEREUS ADENOSINE PHOSPHORYLASE D204N MUTANT COMPLEXED WITH INOSINE
分子名称:Purine nucleoside phosphorylase deoD-type, INOSINE, SULFATE ION, ...
著者Dessanti, P., Zhang, Y., Allegrini, S., Tozzi, M.G., Sgarrella, F., Ealick, S.E.
登録日2011-10-22
公開日2012-02-29
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
4UV8
  • Download 4uv8
  • View 4uv8
Molmil generated image of 4uv8
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
  • Download 4uv9
  • View 4uv9
Molmil generated image of 4uv9
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
  • Download 4uva
  • View 4uva
Molmil generated image of 4uva
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
  • Download 4uvb
  • View 4uvb
Molmil generated image of 4uvb
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
  • Download 4uvc
  • View 4uvc
Molmil generated image of 4uvc
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
  • Download 4uxn
  • View 4uxn
Molmil generated image of 4uxn
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
5LGN
  • Download 5lgn
  • View 5lgn
Molmil generated image of 5lgn
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
  • Download 5lgt
  • View 5lgt
Molmil generated image of 5lgt
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
  • Download 5lgu
  • View 5lgu
Molmil generated image of 5lgu
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
  • Download 5lhg
  • View 5lhg
Molmil generated image of 5lhg
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
  • Download 5lhh
  • View 5lhh
Molmil generated image of 5lhh
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
  • Download 5lhi
  • View 5lhi
Molmil generated image of 5lhi
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