2X0L
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![BU of 2x0l by Molmil](/molmil-images/mine/2x0l) | Crystal structure of a neuro-specific splicing variant of human histone lysine demethylase LSD1. | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, HISTONE H3 PEPTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | 著者 | Zibetti, C, Adamo, A, Binda, C, Forneris, F, Verpelli, C, Ginelli, E, Mattevi, A, Sala, C, Battaglioli, E. | 登録日 | 2009-12-15 | 公開日 | 2010-03-02 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Alternative Splicing of the Histone Demethylase Lsd1/Kdm1 Contributes to the Modulation of Neurite Morphogenesis in the Mammalian Nervous System. J.Neurosci., 30, 2010
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2Y48
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![BU of 2y48 by Molmil](/molmil-images/mine/2y48) | Crystal structure of LSD1-CoREST in complex with a N-terminal SNAIL peptide | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC DEMETHYLASE 1A, REST COREPRESSOR 1, ... | 著者 | Baron, R, Binda, C, Tortorici, M, McCammon, J.A, Mattevi, A. | 登録日 | 2011-01-05 | 公開日 | 2011-02-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Molecular Mimicry and Ligand Recognition in Binding and Catalysis by the Histone Demethylase Lsd1-Corest Complex. Structure, 19, 2011
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5LHH
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![BU of 5lhh by Molmil](/molmil-images/mine/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: | 4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Cecatiello, V, Pasqualato, S. | 登録日 | 2016-07-11 | 公開日 | 2017-02-22 | 最終更新日 | 2024-01-10 | 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
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4KUM
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![BU of 4kum by Molmil](/molmil-images/mine/4kum) | Structure of LSD1-CoREST-Tetrahydrofolate complex | 分子名称: | (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Luka, Z, Pakhomova, S, Loukachevitch, L.V, Calcutt, M.W, Newcomer, M.E, Wagner, C. | 登録日 | 2013-05-22 | 公開日 | 2014-05-07 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Crystal structure of the histone lysine specific demethylase LSD1 complexed with tetrahydrofolate. Protein Sci., 23, 2014
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4UVC
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![BU of 4uvc by Molmil](/molmil-images/mine/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 | 最終更新日 | 2024-01-10 | 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
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4BAY
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![BU of 4bay by Molmil](/molmil-images/mine/4bay) | Phosphomimetic mutant of LSD1-8a splicing variant in complex with CoREST | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1 | 著者 | Toffolo, E, Paganini, L, Rusconi, F, Tortorici, M, Pilotto, S, Verpelli, C, Tedeschi, G, Maffioli, E, Sala, C, Mattevi, A, Battaglioli, E. | 登録日 | 2012-09-17 | 公開日 | 2013-11-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Phosphorylation of Neuronal Lysine-Specific Demethylase 1Lsd1/Kdm1A Impairs Transcriptional Repression by Regulating Interaction with Corest and Histone Deacetylases Hdac1/2. J.Neurochem., 128, 2014
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5L3G
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![BU of 5l3g by Molmil](/molmil-images/mine/5l3g) | LSD1-CoREST1 in complex with polymyxin E (colistin) | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1, ... | 著者 | Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A. | 登録日 | 2016-04-10 | 公開日 | 2016-09-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features. Sci Adv, 2, 2016
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6WC6
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![BU of 6wc6 by Molmil](/molmil-images/mine/6wc6) | |
8F30
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![BU of 8f30 by Molmil](/molmil-images/mine/8f30) | LSD1-CoREST in complex with AW2, long soaking | 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-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[3-([1,1'-biphenyl]-4-yl)propanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | 著者 | Caroli, J, Mattevi, A. | 登録日 | 2022-11-09 | 公開日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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3ZN1
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![BU of 3zn1 by Molmil](/molmil-images/mine/3zn1) | LSD1-CoREST in complex with PRLYLV peptide | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, PEPTIDE, ... | 著者 | 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. | 登録日 | 2013-02-13 | 公開日 | 2013-06-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase. Acs Chem.Biol., 8, 2013
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3ZMT
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![BU of 3zmt by Molmil](/molmil-images/mine/3zmt) | LSD1-CoREST in complex with PRSFLV peptide | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, PEPTIDE, ... | 著者 | 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. | 登録日 | 2013-02-12 | 公開日 | 2013-06-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase. Acs Chem.Biol., 8, 2013
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2V1D
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![BU of 2v1d by Molmil](/molmil-images/mine/2v1d) | Structural basis of LSD1-CoREST selectivity in histone H3 recognition | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, HISTONE H3.1T, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | 著者 | Forneris, F, Binda, C, Adamo, A, Battaglioli, E, Mattevi, A. | 登録日 | 2007-05-23 | 公開日 | 2007-05-29 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural Basis of Lsd1-Corest Selectivity in Histone H3 Recognition. J.Biol.Chem., 282, 2007
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6S35
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![BU of 6s35 by Molmil](/molmil-images/mine/6s35) | |
2XAH
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![BU of 2xah by Molmil](/molmil-images/mine/2xah) | Crystal structure of LSD1-CoREST in complex with (+)-trans-2- phenylcyclopropyl-1-amine | 分子名称: | 3-PHENYLPROPANAL, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | 著者 | 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. | 登録日 | 2010-03-31 | 公開日 | 2010-05-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2. J.Am.Chem.Soc., 132, 2010
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2XAG
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![BU of 2xag by Molmil](/molmil-images/mine/2xag) | Crystal structure of LSD1-CoREST in complex with para-bromo-(-)-trans- 2-phenylcyclopropyl-1-amine | 分子名称: | 3-(4-BROMOPHENYL)PROPANAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | 著者 | 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. | 登録日 | 2010-03-31 | 公開日 | 2010-05-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2. J.Am.Chem.Soc., 132, 2010
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6TE1
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![BU of 6te1 by Molmil](/molmil-images/mine/6te1) | Structure of the KDM1A/CoREST complex with the inhibitor 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol | 分子名称: | 5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Pasqualato, S, Cecatiello, V. | 登録日 | 2019-11-11 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | 主引用文献 | Discovery of Reversible Inhibitors of KDM1A Efficacious in Acute Myeloid Leukemia Models. Acs Med.Chem.Lett., 11, 2020
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8FSK
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![BU of 8fsk by Molmil](/molmil-images/mine/8fsk) | LSD1-CoREST in complex with T18, short soaking | 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-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-(3-benzamidophenyl)-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | 著者 | Caroli, J, Mattevi, A. | 登録日 | 2023-01-10 | 公開日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (3.13 Å) | 主引用文献 | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 To Be Published
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9FWG
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![BU of 9fwg by Molmil](/molmil-images/mine/9fwg) | LSD1/CoREST bound to bomedemstat | 分子名称: | Bomedemstat FAD adduct, Lysine-specific histone demethylase 1A, REST corepressor 1 | 著者 | Speranzini, V, Mattevi, A. | 登録日 | 2024-06-30 | 公開日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Characterization of structural, biochemical, pharmacokinetic, and pharmacodynamic properties of the LSD1 inhibitor bomedemstat in preclinical models. Prostate, 84, 2024
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5LGU
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![BU of 5lgu by Molmil](/molmil-images/mine/5lgu) | Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 34 | 分子名称: | 4-methyl-~{N}-[2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | 著者 | Mattevi, A, Ciossani, G. | 登録日 | 2016-07-08 | 公開日 | 2017-02-22 | 最終更新日 | 2024-01-10 | 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
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5LGN
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![BU of 5lgn by Molmil](/molmil-images/mine/5lgn) | Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 19 | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1, ... | 著者 | Mattevi, A, Ciossani, G. | 登録日 | 2016-07-07 | 公開日 | 2017-02-22 | 最終更新日 | 2024-01-10 | 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
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8JF5
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![BU of 8jf5 by Molmil](/molmil-images/mine/8jf5) | Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAS1440 | 分子名称: | 4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Fukushima, H, Machida, T, Yamashita, S, Suzuki, T. | 登録日 | 2023-05-17 | 公開日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | TAS1440, a histone H3 competitive LSD1 inhibitor, activates both TGF-beta and notch signaling pathways via INSM1 dissociation in neuroendocrine small cell lung cancer To Be Published
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3ZMU
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![BU of 3zmu by Molmil](/molmil-images/mine/3zmu) | LSD1-CoREST in complex with PKSFLV peptide | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, PKSFLV PEPTIDE, ... | 著者 | 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. | 登録日 | 2013-02-12 | 公開日 | 2013-06-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase. Acs Chem.Biol., 8, 2013
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2XAS
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![BU of 2xas by Molmil](/molmil-images/mine/2xas) | Crystal structure of LSD1-CoREST in complex with a tranylcypromine derivative (MC2580, 14e) | 分子名称: | 3-[4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)PHENYL]PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | 著者 | 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. | 登録日 | 2010-03-31 | 公開日 | 2010-05-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2. J.Am.Chem.Soc., 132, 2010
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2XAQ
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![BU of 2xaq by Molmil](/molmil-images/mine/2xaq) | Crystal structure of LSD1-CoREST in complex with a tranylcypromine derivative (MC2584, 13b) | 分子名称: | 3-{4-[(PHENYLCARBONYL)AMINO]PHENYL}PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | 著者 | 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. | 登録日 | 2010-03-31 | 公開日 | 2010-05-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2. J.Am.Chem.Soc., 132, 2010
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2XAF
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![BU of 2xaf by Molmil](/molmil-images/mine/2xaf) | Crystal structure of LSD1-CoREST in complex with para-bromo-(+)-cis-2- phenylcyclopropyl-1-amine | 分子名称: | 3-(4-BROMOPHENYL)PROPANAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | 著者 | 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. | 登録日 | 2010-03-31 | 公開日 | 2010-05-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2. J.Am.Chem.Soc., 132, 2010
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