5H6Q
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![BU of 5h6q by Molmil](/molmil-images/mine/5h6q) | Crystal structure of LSD1-CoREST in complex with peptide 11 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | Authors: | Kikuchi, M, Amano, Y, Sato, S, Yokoyama, S, Umezawa, N, Higuchi, T, Umehara, T. | Deposit date: | 2016-11-14 | Release date: | 2017-04-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Development and crystallographic evaluation of histone H3 peptide with N-terminal serine substitution as a potent inhibitor of lysine-specific demethylase 1. Bioorg. Med. Chem., 25, 2017
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2IW5
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![BU of 2iw5 by Molmil](/molmil-images/mine/2iw5) | Structural Basis for CoREST-Dependent Demethylation of Nucleosomes by the Human LSD1 Histone Demethylase | Descriptor: | AMMONIUM ION, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Yang, M, Gocke, C.B, Luo, X, Borek, D, Tomchick, D.R, Machius, M, Otwinowski, Z, Yu, H. | Deposit date: | 2006-06-26 | Release date: | 2006-08-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structural Basis for Corest-Dependent Demethylation of Nucleosomes by the Human Lsd1 Histone Demethylase Mol.Cell, 23, 2006
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5L3D
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![BU of 5l3d by Molmil](/molmil-images/mine/5l3d) | Human LSD1/CoREST: LSD1 Y761H mutation | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1 | Authors: | Pilotto, S, Speranzini, V, Marabelli, C, Mattevi, A. | Deposit date: | 2016-04-06 | Release date: | 2016-05-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | LSD1/KDM1A mutations associated to a newly described form of intellectual disability impair demethylase activity and binding to transcription factors. Hum.Mol.Genet., 25, 2016
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6TUY
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![BU of 6tuy by Molmil](/molmil-images/mine/6tuy) | Human LSD1/CoREST bound to the quinazoline inhibitor MC4106 | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Mattevi, A, Marrocco, B. | Deposit date: | 2020-01-08 | Release date: | 2021-07-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Novel non-covalent LSD1 inhibitors endowed with anticancer effects in leukemia and solid tumor cellular models. Eur.J.Med.Chem., 237, 2022
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8Q1G
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![BU of 8q1g by Molmil](/molmil-images/mine/8q1g) | LSD1-CoREST bound to Acetylated K14 of Histone H3 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ... | Authors: | Barone, M, Mattevi, A. | Deposit date: | 2023-07-31 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Uncoupling Histone Modification Crosstalk by Engineering Lysine Demethylase LSD1 To Be Published
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5H6R
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![BU of 5h6r by Molmil](/molmil-images/mine/5h6r) | Crystal structure of LSD1-CoREST in complex with peptide 13 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | Authors: | Kkuchi, M, Amano, Y, Sato, S, Yokoyama, S, Umezawa, N, Higuchi, T, Umehara, T. | Deposit date: | 2016-11-14 | Release date: | 2017-04-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Development and crystallographic evaluation of histone H3 peptide with N-terminal serine substitution as a potent inhibitor of lysine-specific demethylase 1. Bioorg. Med. Chem., 25, 2017
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6KGM
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![BU of 6kgm by Molmil](/molmil-images/mine/6kgm) | LSD1-CoREST-S2116 five-membered ring adduct model | Descriptor: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Niwa, H, Sato, S, Umehara, T. | Deposit date: | 2019-07-12 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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6KGN
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![BU of 6kgn by Molmil](/molmil-images/mine/6kgn) | LSD1-CoREST-S2116 N5 adduct model | Descriptor: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Niwa, H, Sato, S, Umehara, T. | Deposit date: | 2019-07-12 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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8FJ6
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![BU of 8fj6 by Molmil](/molmil-images/mine/8fj6) | LSD1-CoREST in complex with T108, long soaking | Descriptor: | 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-[7,8-dimethyl-2,4-dioxo-5-{3-[3-(phenylcarbamoyl)phenyl]propanoyl}-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-12-19 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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7CDC
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![BU of 7cdc by Molmil](/molmil-images/mine/7cdc) | Crystal structure of LSD1-CoREST in complex with PRSFLVRRP peptide | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | Authors: | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | Deposit date: | 2020-06-19 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity. J.Med.Chem., 64, 2021
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7CDF
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![BU of 7cdf by Molmil](/molmil-images/mine/7cdf) | Crystal structure of LSD1-CoREST in complex with PRSFLVRRK peptide | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | Authors: | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | Deposit date: | 2020-06-19 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity. J.Med.Chem., 64, 2021
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7CDE
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![BU of 7cde by Molmil](/molmil-images/mine/7cde) | Crystal structure of LSD1-CoREST in complex with PRSFLVRKR peptide | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | Authors: | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | Deposit date: | 2020-06-19 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity. J.Med.Chem., 64, 2021
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5X60
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![BU of 5x60 by Molmil](/molmil-images/mine/5x60) | Crystal structure of LSD1-CoREST in complex with peptide 9 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | Authors: | Kikuchi, M, Amano, Y, Sato, S, Yokoyama, S, Umezawa, N, Higuchi, T, Umehara, T. | Deposit date: | 2017-02-20 | Release date: | 2017-04-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Development and crystallographic evaluation of histone H3 peptide with N-terminal serine substitution as a potent inhibitor of lysine-specific demethylase 1. Bioorg. Med. Chem., 25, 2017
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6KGK
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![BU of 6kgk by Molmil](/molmil-images/mine/6kgk) | LSD1-CoREST-S2101 five-membered ring adduct model | Descriptor: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Niwa, H, Sato, S, Sengoku, S, Umehara, T, Yokoyama, S. | Deposit date: | 2019-07-12 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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6KGL
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![BU of 6kgl by Molmil](/molmil-images/mine/6kgl) | LSD1-CoREST-S2101 N5 adduct model | Descriptor: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Niwa, H, Sato, S, Sengoku, S, Umehara, T, Yokoyama, S. | Deposit date: | 2019-07-12 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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7ZRY
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![BU of 7zry by Molmil](/molmil-images/mine/7zry) | |
2UXN
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![BU of 2uxn by Molmil](/molmil-images/mine/2uxn) | Structural Basis of Histone Demethylation by LSD1 Revealed by Suicide Inactivation | Descriptor: | CHLORIDE ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Yang, M, Culhane, J.C, Szewczuk, L.M, Gocke, C.B, Brautigam, C.A, Tomchick, D.R, Machius, M, Cole, P.A, Yu, H. | Deposit date: | 2007-03-28 | Release date: | 2007-05-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Structural Basis of Histone Demethylation by Lsd1 Revealed by Suicide Inactivation. Nat.Struct.Mol.Biol., 14, 2007
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8BOP
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![BU of 8bop by Molmil](/molmil-images/mine/8bop) | LSD1-CoREST in complex with AW4, long soaking | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[7,8-dimethyl-2,4-bis(oxidanylidene)-5-[3-[4-(3-phenylphenyl)phenyl]propanoyl]-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-11-15 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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2UXX
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![BU of 2uxx by Molmil](/molmil-images/mine/2uxx) | Human LSD1 Histone Demethylase-CoREST in complex with an FAD- tranylcypromine adduct | Descriptor: | CHLORIDE ION, FAD-trans-2-Phenylcyclopropylamine Adduct, GLYCEROL, ... | Authors: | Yang, M, Culhane, J.C, Machius, M, Cole, P.A, Yu, H. | Deposit date: | 2007-03-30 | Release date: | 2007-08-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Structural Basis for the Inhibition of the Lsd1 Histone Demethylase by the Antidepressant Trans-2-Phenylcyclopropylamine. Biochemistry, 46, 2007
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8FJ4
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![BU of 8fj4 by Molmil](/molmil-images/mine/8fj4) | LSD1-CoREST in complex with T108, short soaking | Descriptor: | 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-phenylbenzamide, Lysine-specific histone demethylase 1A, REST corepressor 1, ... | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-12-19 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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7CDD
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![BU of 7cdd by Molmil](/molmil-images/mine/7cdd) | Crystal structure of LSD1-CoREST in complex with PRSFLVRR peptide | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | Authors: | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | Deposit date: | 2020-06-19 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity. J.Med.Chem., 64, 2021
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4UVB
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![BU of 4uvb by Molmil](/molmil-images/mine/4uvb) | 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 | Last modified: | 2024-01-10 | 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
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8FJ7
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![BU of 8fj7 by Molmil](/molmil-images/mine/8fj7) | LSD1-CoREST in complex with T108 and SNAG peptide | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ... | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-12-19 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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7CDG
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![BU of 7cdg by Molmil](/molmil-images/mine/7cdg) | Crystal structure of LSD1-CoREST in complex with PRSFLVRRR peptide | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | Authors: | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | Deposit date: | 2020-06-19 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity. J.Med.Chem., 64, 2021
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5L3E
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![BU of 5l3e by Molmil](/molmil-images/mine/5l3e) | LSD1-CoREST1 in complex with quinazoline-derivative reversible inhibitor | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-diamine, ... | 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: | 2024-01-10 | 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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