5FJK
 
 | | Crystal structure of human JMJD2C catalytic domain in complex 6-ethyl- 5-methyl-7-oxo-4,7-dihydropyrazolo(1,5-a)pyrimidine-3-carbonitrile | | Descriptor: | 1,2-ETHANEDIOL, 6-ethyl-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, CHLORIDE ION, ... | | Authors: | Cecatiello, V, Pasqualato, S. | | Deposit date: | 2015-10-09 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Crystal Structures of Human Jmjd2C Catalytic Domain Bound to Inhibitors
To be Published
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5FJH
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5LHG
 | | 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
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5LHI
 | | Structure of the KDM1A/CoREST complex with the inhibitor N-[3-(ethoxymethyl)-2-[[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | | Authors: | Cecatiello, V, Pasqualato, S. | | Deposit date: | 2016-07-12 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.4 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
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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 | | Descriptor: | 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, ... | | Authors: | Cecatiello, V, Pasqualato, S. | | Deposit date: | 2016-07-11 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.05 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
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4WAU
 | | Crystal structure of CENP-M solved by native-SAD phasing | | Descriptor: | Centromere protein M | | Authors: | Weinert, T, Basilico, F, Cecatiello, V, Pasqualato, S, Wang, M. | | Deposit date: | 2014-09-01 | | Release date: | 2014-12-10 | | Last modified: | 2015-02-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
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6ZT0
 | | Crystal structure of the Eiger TNF domain/Grindelwald extracellular domain complex | | Descriptor: | 1,2-ETHANEDIOL, Protein eiger, Protein grindelwald | | Authors: | Palmerini, V, Cecatiello, V, Pasqualato, S, Mapelli, M. | | Deposit date: | 2020-07-17 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Drosophila TNFRs Grindelwald and Wengen bind Eiger with different affinities and promote distinct cellular functions.
Nat Commun, 12, 2021
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6ZSZ
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6ZSY
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4A7J
 | | Symmetric Dimethylation of H3 Arginine 2 is a Novel Histone Mark that Supports Euchromatin Maintenance | | Descriptor: | HISTONE H3.1T, WD REPEAT-CONTAINING PROTEIN 5 | | Authors: | Migliori, V, Muller, J, Phalke, S, Low, D, Bezzi, M, ChuenMok, W, Gunaratne, J, Capasso, P, Bassi, C, Cecatiello, V, DeMarco, A, Blackstock, W, Kuznetsov, V, Amati, B, Mapelli, M, Guccione, E. | | Deposit date: | 2011-11-14 | | Release date: | 2012-01-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Symmetric Dimethylation of H3R2 is a Newly Identified Histone Mark that Supports Euchromatin Maintenance
Nat.Struct.Mol.Biol., 19, 2012
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6QJA
 | | Organizational principles of the NuMA-Dynein interaction interface and implications for mitotic spindle functions | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Nuclear mitotic apparatus protein 1 | | Authors: | Renna, C, Rizzelli, F, Carminati, M, Gaddoni, C, Pirovano, L, Cecatiello, V, Pasqualato, S, Mapelli, M. | | Deposit date: | 2019-01-23 | | Release date: | 2020-02-05 | | Last modified: | 2020-07-15 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Organizational Principles of the NuMA-Dynein Interaction Interface and Implications for Mitotic Spindle Functions.
Structure, 28, 2020
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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 | | 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
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4BE8
 | | NEDD4 HECT A889F structure | | Descriptor: | E3 UBIQUITIN-PROTEIN LIGASE NEDD4 | | Authors: | Maspero, E, Valentini, E, Mari, S, Cecatiello, V, Polo, S, Pasqualato, S. | | Deposit date: | 2013-03-06 | | Release date: | 2013-05-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.996 Å) | | Cite: | Structure of a Ubiquitin-Loaded Hect Ligase Reveals the Molecular Basis for Catalytic Priming
Nat.Struct.Mol.Biol., 20, 2013
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4BBN
 | | NEDD4 HECT-Ub:Ub complex | | Descriptor: | E3 UBIQUITIN-PROTEIN LIGASE NEDD4, POLYUBIQUITIN-B | | Authors: | Maspero, E, Valentini, E, Mari, S, Cecatiello, V, Polo, S, Pasqualato, S. | | Deposit date: | 2012-09-27 | | Release date: | 2013-05-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structure of a Ubiquitin-Loaded Hect Ligase Reveals the Molecular Basis for Catalytic Priming
Nat.Struct.Mol.Biol., 20, 2013
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2XBB
 | | Nedd4 HECT:Ub complex | | Descriptor: | E3 UBIQUITIN-PROTEIN LIGASE NEDD4, GLYCEROL, UBIQUITIN | | Authors: | Maspero, E, Cecatiello, V, Musacchio, A, Polo, S, Pasqualato, S. | | Deposit date: | 2010-04-08 | | Release date: | 2011-03-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structure of the Hect:Ubiquitin Complex and its Role in Ubiquitin Chain Elongation
Embo Rep., 12, 2011
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2XBF
 | | Nedd4 HECT structure | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE NEDD4 | | Authors: | Maspero, E, Cecatiello, V, Musacchio, A, Polo, S, Pasqualato, S. | | Deposit date: | 2010-04-09 | | Release date: | 2011-03-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.503 Å) | | Cite: | Structure of the Hect:Ubiquitin Complex and its Role in Ubiquitin Chain Elongation
Embo Rep., 12, 2011
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