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2V1D
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BU of 2v1d by Molmil
Structural basis of LSD1-CoREST selectivity in histone H3 recognition
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, HISTONE H3.1T, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ...
Authors:Forneris, F, Binda, C, Adamo, A, Battaglioli, E, Mattevi, A.
Deposit date:2007-05-23
Release date:2007-05-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis of Lsd1-Corest Selectivity in Histone H3 Recognition.
J.Biol.Chem., 282, 2007
3ZMT
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BU of 3zmt by Molmil
LSD1-CoREST in complex with PRSFLV peptide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, 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:2023-12-20
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
4E0V
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BU of 4e0v by Molmil
Structure of L-amino acid oxidase from the B. jararacussu venom
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, L-amino-acid oxidase
Authors:Ullah, A, Souza, T.A.C.B, Betzel, C, Murakami, M.T, Arni, R.K.
Deposit date:2012-03-05
Release date:2012-04-25
Last modified:2012-08-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural insights into selectivity and cofactor binding in snake venom L-amino acid oxidases.
Biochem.Biophys.Res.Commun., 421, 2012
3ABU
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BU of 3abu by Molmil
Crystal Structure of LSD1 in complex with a 2-PCPA derivative, S1201
Descriptor: Lysine-specific histone demethylase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3R,3aS)-3-[2-(benzyloxy)-3-fluorophenyl]-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
Authors:Mimasu, S, Umezawa, N, Sato, S, Higuchi, T, Umehara, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-12-21
Release date:2010-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structurally Designed trans-2-Phenylcyclopropylamine Derivatives Potently Inhibit Histone Demethylase LSD1/KDM1
Biochemistry, 49, 2010
2XAH
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BU of 2xah by Molmil
Crystal structure of LSD1-CoREST in complex with (+)-trans-2- phenylcyclopropyl-1-amine
Descriptor: 3-PHENYLPROPANAL, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ...
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:2024-05-08
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
4GU0
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BU of 4gu0 by Molmil
Crystal structure of LSD2 with H3
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3, Lysine-specific histone demethylase 1B, ...
Authors:Chen, F, Yang, H, Dong, Z, Fang, J, Zhu, T, Gong, W, Xu, Y.
Deposit date:2012-08-29
Release date:2013-02-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.103 Å)
Cite:Structural insight into substrate recognition by histone demethylase LSD2/KDM1b
Cell Res., 23, 2013
6TE1
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BU of 6te1 by Molmil
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
Descriptor: 5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Pasqualato, S, Cecatiello, V.
Deposit date:2019-11-11
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Discovery of Reversible Inhibitors of KDM1A Efficacious in Acute Myeloid Leukemia Models.
Acs Med.Chem.Lett., 11, 2020
6FJH
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BU of 6fjh by Molmil
Crystal structure of the seleniated LkcE from Streptomyces rochei
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, LkcE, OXYGEN MOLECULE, ...
Authors:Dorival, J, Risser, F, Jacob, C, Collin, S, Drager, G, Kirschning, A, Paris, C, Chagot, B, Gruez, A, Weissman, K.J.
Deposit date:2018-01-22
Release date:2018-09-19
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Insights into a dual function amide oxidase/macrocyclase from lankacidin biosynthesis.
Nat Commun, 9, 2018
2BXS
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BU of 2bxs by Molmil
Human Monoamine Oxidase A in complex with Clorgyline, Crystal Form B
Descriptor: AMINE OXIDASE [FLAVIN-CONTAINING] A, FLAVIN-ADENINE DINUCLEOTIDE, N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-METHYL-N-PROP-2-YNYLAMINE
Authors:De Colibus, L, Binda, C, Edmondson, D.E, Mattevi, A.
Deposit date:2005-07-27
Release date:2005-08-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Three-Dimensional Structure of Human Monoamine Oxidase a (Mao A): Relation to the Structures of Rat Mao a and Human Mao B
Proc.Natl.Acad.Sci.USA, 102, 2005
3KU9
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BU of 3ku9 by Molmil
X-ray structure of the mutant lys300met of polyamine oxidase from zea mays in complex with spermine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Fiorillo, A, Ilari, A, Tavladoraki, P.
Deposit date:2009-11-27
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The crystal structure of the mutant K300M of polyamine oxidase from ZEA MAYS unveils the role of LYS300 in catalysis
To be Published
3L1R
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BU of 3l1r by Molmil
X-ray structure of the mutant lys300met of polyamine oxidase from zea mays in complex with spermidine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Fiorillo, A, Ilari, A, Tavladoraki, P.
Deposit date:2009-12-14
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The crystal structure of the mutant k300m of polyamine oxidase from zea mays unveils the role of lys300 in catalysis
To be Published
8JF5
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BU of 8jf5 by Molmil
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAS1440
Descriptor: 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, ...
Authors:Fukushima, H, Machida, T, Yamashita, S, Suzuki, T.
Deposit date:2023-05-17
Release date:2024-05-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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
2XAQ
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BU of 2xaq by Molmil
Crystal structure of LSD1-CoREST in complex with a tranylcypromine derivative (MC2584, 13b)
Descriptor: 3-{4-[(PHENYLCARBONYL)AMINO]PHENYL}PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ...
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:2024-05-08
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
5LGU
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BU of 5lgu by Molmil
Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 34
Descriptor: 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, ...
Authors:Mattevi, A, Ciossani, G.
Deposit date:2016-07-08
Release date:2017-02-22
Last modified:2024-01-10
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
5LGN
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BU of 5lgn by Molmil
Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 19
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1, ...
Authors:Mattevi, A, Ciossani, G.
Deposit date:2016-07-07
Release date:2017-02-22
Last modified:2024-01-10
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
1O5W
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BU of 1o5w by Molmil
The structure basis of specific recognitions for substrates and inhibitors of rat monoamine oxidase A
Descriptor: Amine oxidase [flavin-containing] A, FLAVIN-ADENINE DINUCLEOTIDE, N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-METHYL-N-PROP-2-YNYLAMINE
Authors:Ma, J, Yoshimura, M, Yamashita, E, Nakagawa, A, Ito, A, Tsukihara, T.
Deposit date:2003-10-06
Release date:2004-04-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of rat monoamine oxidase a and its specific recognitions for substrates and inhibitors.
J.Mol.Biol., 338, 2004
2XAS
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BU of 2xas by Molmil
Crystal structure of LSD1-CoREST in complex with a tranylcypromine derivative (MC2580, 14e)
Descriptor: 3-[4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)PHENYL]PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ...
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:2024-05-08
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
3ZMU
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BU of 3zmu by Molmil
LSD1-CoREST in complex with PKSFLV peptide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, 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:2023-12-20
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
3ABT
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BU of 3abt by Molmil
Crystal Structure of LSD1 in complex with trans-2-pentafluorophenylcyclopropylamine
Descriptor: Lysine-specific histone demethylase 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-[(1R,3R,3aS)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-(pentafluorophenyl)-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate
Authors:Mimasu, S, Umezawa, N, Sato, S, Higuchi, T, Umehara, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-12-21
Release date:2010-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structurally Designed trans-2-Phenylcyclopropylamine Derivatives Potently Inhibit Histone Demethylase LSD1/KDM1
Biochemistry, 49, 2010
2XAF
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BU of 2xaf by Molmil
Crystal structure of LSD1-CoREST in complex with para-bromo-(+)-cis-2- phenylcyclopropyl-1-amine
Descriptor: 3-(4-BROMOPHENYL)PROPANAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ...
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:2024-05-08
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
5L3B
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BU of 5l3b by Molmil
Human LSD1/CoREST: LSD1 D556G mutation
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1
Authors:Pilotto, S, Speranzini, V, Marabelli, C.
Deposit date:2016-04-06
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 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
5LBQ
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BU of 5lbq by Molmil
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
2XAJ
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BU of 2xaj by Molmil
Crystal structure of LSD1-CoREST in complex with (-)-trans-2- phenylcyclopropyl-1-amine
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, PHENYLETHYLENECARBOXYLIC ACID, ...
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:2024-05-08
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
5L3C
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BU of 5l3c by Molmil
Human LSD1/CoREST: LSD1 E379K 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:2024-01-10
Method:X-RAY DIFFRACTION (3.31 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
5LHG
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BU of 5lhg by Molmil
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
Descriptor: 4-methyl-N-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Cecatiello, V, Pasqualato, S.
Deposit date:2016-07-11
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.34 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

221051

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