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3ZMS
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BU of 3zms by Molmil
LSD1-CoREST in complex with INSM1 peptide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, INSULINOMA-ASSOCIATED PROTEIN 1, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, ...
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 (2.96 Å)
Cite:Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase.
Acs Chem.Biol., 8, 2013
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
3ZN0
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BU of 3zn0 by Molmil
LSD1-CoREST in complex with PRSFAA 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:2013-02-13
Release date:2013-06-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase.
Acs Chem.Biol., 8, 2013
3ZN1
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BU of 3zn1 by Molmil
LSD1-CoREST in complex with PRLYLV 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:2013-02-13
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
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
3ZMV
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BU of 3zmv by Molmil
LSD1-CoREST in complex with PLSFLV 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 Å)
Cite:Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase.
Acs Chem.Biol., 8, 2013
3ZMZ
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BU of 3zmz by Molmil
LSD1-CoREST in complex with PRSFAV 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:2013-02-13
Release date:2013-06-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase.
Acs Chem.Biol., 8, 2013
4UVC
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BU of 4uvc by Molmil
LSD1(KDM1A)-CoREST in complex with 1-Phenyl-Tranylcypromine
Descriptor: 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
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 (3.1 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
4UV9
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BU of 4uv9 by Molmil
LSD1(KDM1A)-CoREST in complex with 1-Ethyl-Tranylcypromine
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)-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
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 (3 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
2Y48
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BU of 2y48 by Molmil
Crystal structure of LSD1-CoREST in complex with a N-terminal SNAIL peptide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC DEMETHYLASE 1A, REST COREPRESSOR 1, ...
Authors:Baron, R, Binda, C, Tortorici, M, McCammon, J.A, Mattevi, A.
Deposit date:2011-01-05
Release date:2011-02-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular Mimicry and Ligand Recognition in Binding and Catalysis by the Histone Demethylase Lsd1-Corest Complex.
Structure, 19, 2011
4UVA
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BU of 4uva by Molmil
LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1R,2S)
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)-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
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 (2.9 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
4UVB
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BU of 4uvb by Molmil
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
4UV8
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BU of 4uv8 by Molmil
LSD1(KDM1A)-CoREST in complex with 1-Benzyl-Tranylcypromine
Descriptor: 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
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
4A79
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BU of 4a79 by Molmil
Crystal structure of human monoamine oxidase B (MAO B) in complex with pioglitazone
Descriptor: (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Binda, C, Aldeco, M, Geldenhuys, W.J, Tortorici, M, Mattevi, A, Edmondson, D.E.
Deposit date:2011-11-11
Release date:2012-04-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Molecular Insights Into Human Monoamine Oxidase B Inhibition by the Glitazone Anti-Diabetes Drugs
Acs Med. Chem. Lett., 3, 2012
4A7A
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BU of 4a7a by Molmil
Crystal structure of human monoamine oxidase B (MAO B) in complex with rosiglitazone
Descriptor: (R)-ROSIGLITAZONE, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Binda, C, Aldeco, M, Geldenhuys, W.J, Tortorici, M, Mattevi, A, Edmondson, D.E.
Deposit date:2011-11-11
Release date:2012-04-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Insights Into Human Monoamine Oxidase B Inhibition by the Glitazone Anti-Diabetes Drugs
Acs Med. Chem. Lett., 3, 2012
5MWJ
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BU of 5mwj by Molmil
Structure Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic Transcriptional Repressor TLE1
Descriptor: DIMETHYL SULFOXIDE, Transducin-like enhancer protein 1, pepide inhibtor
Authors:McGrath, S, Tortorici, M, Vidler, L, Drouin, L, Westwood, I, Gimeson, P, Van Montfort, R, Hoelder, S.
Deposit date:2017-01-18
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure-Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic Transcriptional Repressor TLE1.
Chemistry, 23, 2017
4BAY
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BU of 4bay by Molmil
Phosphomimetic mutant of LSD1-8a splicing variant in complex with CoREST
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1
Authors:Toffolo, E, Paganini, L, Rusconi, F, Tortorici, M, Pilotto, S, Verpelli, C, Tedeschi, G, Maffioli, E, Sala, C, Mattevi, A, Battaglioli, E.
Deposit date:2012-09-17
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
7K4N
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BU of 7k4n by Molmil
SARS-CoV-2 spike in complex with the S2E12 neutralizing antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2E12 neutralizing antibody Fab fragment (heavy chain), ...
Authors:Tortorici, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-15
Release date:2020-10-07
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Ultrapotent human antibodies protect against SARS-CoV-2 challenge via multiple mechanisms.
Science, 370, 2020
2WB8
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BU of 2wb8 by Molmil
Crystal structure of Haspin kinase
Descriptor: SERINE/THREONINE-PROTEIN KINASE HASPIN
Authors:Villa, F, Tortorci, M, Forneris, F, Mattevi, A, Musacchio, A.
Deposit date:2009-02-23
Release date:2009-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of the Catalytic Domain of Haspin, an Atypical Kinase Implicated in Chromatin Organization.
Proc.Natl.Acad.Sci.USA, 106, 2009
6NZK
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BU of 6nzk by Molmil
Structural basis for human coronavirus attachment to sialic acid receptors
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike surface glycoprotein, ...
Authors:Tortorici, M.A, Walls, A.C, Lang, Y, Wang, C, Li, Z, Koerhuis, D, Boons, G.J, Bosch, B.J, Rey, F.A, de Groot, R, Veesler, D.
Deposit date:2019-02-13
Release date:2019-06-05
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for human coronavirus attachment to sialic acid receptors.
Nat.Struct.Mol.Biol., 26, 2019
6OHW
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BU of 6ohw by Molmil
Structural basis for human coronavirus attachment to sialic acid receptors. Apo-HCoV-OC43 S
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike surface glycoprotein, ...
Authors:Tortorici, M.A, Walls, A.C, Lang, Y, Wang, C, Li, Z, Koerhuis, D, Boons, G.J, Bosch, B.J, Rey, F.A, de Groot, R, Veesler, D.
Deposit date:2019-04-07
Release date:2019-06-05
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for human coronavirus attachment to sialic acid receptors.
Nat.Struct.Mol.Biol., 26, 2019
5LSZ
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BU of 5lsz by Molmil
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Descriptor: Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ...
Authors:Tisi, D, Pathuri, P, Heightman, T.
Deposit date:2016-09-05
Release date:2016-10-05
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
5LT7
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BU of 5lt7 by Molmil
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Descriptor: Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ...
Authors:Tisi, D, Pathuri, P, Heightman, T.
Deposit date:2016-09-06
Release date:2016-10-05
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
5LSX
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Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Descriptor: Histone-lysine N-methyltransferase SETD2, ZINC ION, [(2~{R},5~{S})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(phenylmethyl)azanium
Authors:Tisi, D, Pathuri, P, Heightman, T.
Deposit date:2016-09-05
Release date:2016-10-05
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
5LSU
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Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Descriptor: Histone-lysine N-methyltransferase NSD2, S-ADENOSYLMETHIONINE, ZINC ION
Authors:Tisi, D, Pathuri, P, Heightman, T.
Deposit date:2016-09-05
Release date:2016-10-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016

 

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