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5FJK
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BU of 5fjk by Molmil
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
5FJH
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BU of 5fjh by Molmil
Crystal structure of human JMJD2C catalytic domain in complex with epitherapuetic compound 2-(((2-((2-(dimethylamino)ethyl) (ethyl)amino) -2-oxoethyl)amino)methyl)isonicotinic acid
Descriptor: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, 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 (2.1 Å)
Cite:Crystal Structures of Human Jmjd2C Catalytic Domain Bound to Inhibitors
To be Published
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
5LHI
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BU of 5lhi by Molmil
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
5LHH
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BU of 5lhh by Molmil
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
4WAU
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BU of 4wau by Molmil
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
6ZT0
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BU of 6zt0 by Molmil
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
6ZSZ
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BU of 6zsz by Molmil
Crystal structure of the Grindelwald extracellular domain complex
Descriptor: Protein grindelwald
Authors:Palmerini, V, Cecatiello, V, Pasqualato, S, Mapelli, M.
Deposit date:2020-07-17
Release date:2021-03-31
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Drosophila TNFRs Grindelwald and Wengen bind Eiger with different affinities and promote distinct cellular functions.
Nat Commun, 12, 2021
6ZSY
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BU of 6zsy by Molmil
Crystal structure of the Grindelwald extracellular domain complex
Descriptor: Protein grindelwald
Authors:Palmerini, V, Cecatiello, V, Pasqualato, S, Mapelli, M.
Deposit date:2020-07-17
Release date:2021-03-31
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (0.926 Å)
Cite:Drosophila TNFRs Grindelwald and Wengen bind Eiger with different affinities and promote distinct cellular functions.
Nat Commun, 12, 2021
4A7J
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BU of 4a7j by Molmil
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
6QJA
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BU of 6qja by Molmil
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
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
4BE8
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BU of 4be8 by Molmil
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
4BBN
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BU of 4bbn by Molmil
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
4WBX
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BU of 4wbx by Molmil
Conserved hypothetical protein PF1771 from Pyrococcus furiosus solved by sulfur SAD using Swiss Light Source data
Descriptor: 2-keto acid:ferredoxin oxidoreductase subunit alpha
Authors:Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2014-09-04
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4TN8
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BU of 4tn8 by Molmil
Crystal structure of Thermus Thermophilus thioredoxin solved by sulfur SAD using Swiss Light Source data
Descriptor: CHLORIDE ION, Thioredoxin
Authors:Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2014-06-03
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4TNO
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BU of 4tno by Molmil
Hypothetical protein PF1117 from Pyrococcus Furiosus: Structure solved by sulfur-SAD using Swiss Light Source Data
Descriptor: CHLORIDE ION, CRISPR-associated endoribonuclease Cas2
Authors:Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2014-06-04
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4WAB
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BU of 4wab by Molmil
Crystal structure of mPGES1 solved by native-SAD phasing
Descriptor: 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide, GLUTATHIONE, Prostaglandin E synthase,Leukotriene C4 synthase
Authors:Weinert, T, Li, D, Howe, N, Caffrey, M, Wang, M.
Deposit date:2014-08-29
Release date:2014-12-10
Last modified:2015-02-11
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4WBQ
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BU of 4wbq by Molmil
Crystal structure of the exonuclease domain of QIP (QDE-2 interacting protein) solved by native-SAD phasing.
Descriptor: CALCIUM ION, QDE-2-interacting protein
Authors:Boland, A, Weinert, T, Weichenrieder, O, Wang, M.
Deposit date:2014-09-03
Release date:2014-12-10
Last modified:2015-02-11
Method:X-RAY DIFFRACTION (2.693 Å)
Cite:Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
6HC2
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BU of 6hc2 by Molmil
Crystal structure of NuMA/LGN hetero-hexamers
Descriptor: G-protein-signaling modulator 2, Nuclear mitotic apparatus protein 1
Authors:Pasqualato, S, Culurgioni, S, Foadi, J, Alfieri, A, Mapelli, M.
Deposit date:2018-08-13
Release date:2019-05-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (4.31 Å)
Cite:Hexameric NuMA:LGN structures promote multivalent interactions required for planar epithelial divisions.
Nat Commun, 10, 2019
4R8U
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BU of 4r8u by Molmil
S-SAD structure of DINB-DNA Complex
Descriptor: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA, DNA polymerase IV, ...
Authors:Kottur, J, Nair, D.T, Weinert, T, Oligeric, V, Wang, M.
Deposit date:2014-09-03
Release date:2015-01-14
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fast native-SAD phasing for routine macromolecular structure determination
Nat.Methods, 12, 2015
4PGO
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BU of 4pgo by Molmil
Crystal structure of hypothetical protein PF0907 from Pyrococcus furiosus solved by sulfur SAD using Swiss Light Source data
Descriptor: CHLORIDE ION, Uncharacterized protein
Authors:Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2014-05-02
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4PII
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BU of 4pii by Molmil
Crystal structure of hypothetical protein PF0907 from pyrococcus furiosus solved by sulfur SAD using Swiss light source data
Descriptor: CHLORIDE ION, IMIDAZOLE, N-glycosylase/DNA lyase
Authors:Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2014-05-08
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4R8T
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BU of 4r8t by Molmil
Structure of JEV protease
Descriptor: CHLORIDE ION, NS3, Serine protease subunit NS2B
Authors:Nair, D.T, Weinert, T, Wang, M, Olieric, V.
Deposit date:2014-09-03
Release date:2014-12-24
Last modified:2015-08-12
Method:X-RAY DIFFRACTION (2.133 Å)
Cite:Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4NFA
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BU of 4nfa by Molmil
Structure of the C-terminal doamin of Knl1
Descriptor: CHLORIDE ION, GLYCEROL, Protein CASC5
Authors:Petrovic, A, Mosalaganti, S, Keller, J, Mattiuzzo, M, Overlack, K, Wohlgemuth, S, Pasqualato, S, Raunser, S, Musacchio, A.
Deposit date:2013-10-31
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Modular Assembly of RWD Domains on the Mis12 Complex Underlies Outer Kinetochore Organization.
Mol.Cell, 53, 2014

 

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