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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5AE3
 | | Ether Lipid-Generating Enzyme AGPS in complex with antimycin A | | Descriptor: | ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Piano, V, Benjamin, D.I, Valente, S, Nenci, S, Marrocco, B, Mai, A, Aliverti, A, Nomura, D.K, Mattevi, A. | | Deposit date: | 2015-08-25 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Discovery of Inhibitors for the Ether Lipid-Generating Enzyme Agps as Anti-Cancer Agents.
Acs Chem.Biol., 10, 2015
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5AE1
 | | Ether Lipid-Generating Enzyme AGPS in complex with inhibitor ZINC69435460 | | Descriptor: | (3-(2-FLUOROPHENYL)-N-(1-(2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOL-5-YL)ETHYL)BUTANAMIDE), ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, ... | | Authors: | Piano, V, Benjamin, D.I, Valente, S, Nenci, S, Marrocco, B, Mai, A, Aliverti, A, Nomura, D.K, Mattevi, A. | | Deposit date: | 2015-08-25 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of Inhibitors for the Ether Lipid-Generating Enzyme Agps as Anti-Cancer Agents.
Acs Chem.Biol., 10, 2015
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5ADZ
 | | Ether Lipid-Generating Enzyme AGPS in complex with inhibitor 1a | | Descriptor: | (3S)-3-(2-fluorophenyl)-N-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)methyl)butanamide), ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, ... | | Authors: | Piano, V, Benjamin, D.I, Valente, S, Nenci, S, Marrocco, B, Mai, A, Aliverti, A, Nomura, D.K, Mattevi, A. | | Deposit date: | 2015-08-25 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Inhibitors for the Ether Lipid-Generating Enzyme Agps as Anti-Cancer Agents.
Acs Chem.Biol., 10, 2015
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5AE2
 | | Ether Lipid-Generating Enzyme AGPS in complex with inhibitor 1e | | Descriptor: | 3-(2-fluorophenyl)-2-methyl-N-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)methyl)acrylamide, ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, ... | | Authors: | Piano, V, Benjamin, D.I, Valente, S, Nenci, S, Marrocco, B, Mai, A, Aliverti, A, Nomura, D.K, Mattevi, A. | | Deposit date: | 2015-08-25 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Inhibitors for the Ether Lipid-Generating Enzyme Agps as Anti-Cancer Agents.
Acs Chem.Biol., 10, 2015
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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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6GOU
 | | Development of Alkyl Glycerone Phosphate Synthase Inhibitors: Complex with Inhibitor 2I | | Descriptor: | (3~{S})-3-[2,6-bis(fluoranyl)phenyl]-~{N}-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide, Alkyldihydroxyacetonephosphate synthase, peroxisomal, ... | | Authors: | Mattevi, A, Piano, V. | | Deposit date: | 2018-06-04 | | Release date: | 2019-01-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Development of alkyl glycerone phosphate synthase inhibitors: Structure-activity relationship and effects on ether lipids and epithelial-mesenchymal transition in cancer cells.
Eur J Med Chem, 163, 2018
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6R1T
 | | Structure of LSD2/NPAC-linker/nucleosome core particle complex: Class 1, free nuclesome | | Descriptor: | DNA (147-MER), HISTONE H2A, Histone H2A, ... | | Authors: | Marabelli, C, Pilotto, S, Chittori, S, Subramaniam, S, Mattevi, A. | | Deposit date: | 2019-03-15 | | Release date: | 2019-04-24 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | A Tail-Based Mechanism Drives Nucleosome Demethylation by the LSD2/NPAC Multimeric Complex.
Cell Rep, 27, 2019
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6R1U
 | | Structure of LSD2/NPAC-linker/nucleosome core particle complex: Class 2 | | Descriptor: | DNA (147-MER), FLAVIN-ADENINE DINUCLEOTIDE, Histone H2A, ... | | Authors: | Marabelli, C, Pilotto, S, Chittori, S, Subramaniam, S, Mattevi, A. | | Deposit date: | 2019-03-15 | | Release date: | 2019-04-24 | | Last modified: | 2019-10-30 | | Method: | ELECTRON MICROSCOPY (4.36 Å) | | Cite: | A Tail-Based Mechanism Drives Nucleosome Demethylation by the LSD2/NPAC Multimeric Complex.
Cell Rep, 27, 2019
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6R25
 | | Structure of LSD2/NPAC-linker/nucleosome core particle complex: Class 3 | | Descriptor: | DNA (147-MER), FLAVIN-ADENINE DINUCLEOTIDE, H2B, ... | | Authors: | Marabelli, C, Pilotto, S, Chittori, S, Subramaniam, S, Mattevi, A. | | Deposit date: | 2019-03-15 | | Release date: | 2019-04-24 | | Method: | ELECTRON MICROSCOPY (4.61 Å) | | Cite: | A Tail-Based Mechanism Drives Nucleosome Demethylation by the LSD2/NPAC Multimeric Complex.
Cell Rep, 27, 2019
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5L3F
 | | LSD1-CoREST1 in complex with polymyxin B | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, Polmyxin B, ... | | 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 (3.5 Å) | | Cite: | Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
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5L3G
 | | LSD1-CoREST1 in complex with polymyxin E (colistin) | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1, ... | | 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 (3.1 Å) | | Cite: | Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
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5LBQ
 | | LSD1-CoREST1 in complex with quinazoline-derivative reversible inhibitor | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, N2-(3-(dimethylamino)propyl)-6,7-dimethoxy-N4,N4-dimethylquinazoline-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: | 2016-06-16 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
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