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4UV9
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LSD1(KDM1A)-CoREST in complex with 1-Ethyl-Tranylcypromine
分子名称: 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
著者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.
登録日2014-08-05
公開日2014-09-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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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LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1S,2R)
分子名称: 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
著者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.
登録日2014-08-05
公開日2014-09-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
4UVC
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LSD1(KDM1A)-CoREST in complex with 1-Phenyl-Tranylcypromine
分子名称: 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
著者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.
登録日2014-08-05
公開日2014-09-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献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
4UVA
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LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1R,2S)
分子名称: 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
著者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.
登録日2014-08-05
公開日2014-09-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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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LSD1(KDM1A)-CoREST in complex with 1-Benzyl-Tranylcypromine
分子名称: 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
著者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.
登録日2014-08-05
公開日2014-09-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
1VYW
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Structure of CDK2/Cyclin A with PNU-292137
分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-(2-NAPHTHYL)ACETAMIDE, ...
著者Pevarello, P, Brasca, M.G, Amici, R, Orsini, P, Traquandi, G, Corti, L, Piutti, C, Sansonna, P, Villa, M, Pierce, B.S, Pulici, M, Giordano, P, Martina, K, Fritzen, E.L, Nugent, R.A, Casale, E, Cameron, A, Ciomei, M, Roletto, F, Isacchi, A, Fogliatto, G, Pesenti, E, Pastori, W, Marsiglio, A, Leach, K.L, Clare, P.M, Fiorentini, F, Varasi, M, Vulpetti, A, Warpehoski, M.A.
登録日2004-05-07
公開日2004-06-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献3-Aminopyrazole Inhibitors of Cdk2/Cyclin a as Antitumor Agents. Part 1. Lead Finding
J.Med.Chem., 47, 2004
1VYZ
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Structure of CDK2 complexed with PNU-181227
分子名称: CELL DIVISION PROTEIN KINASE 2, N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE
著者Pevarello, P, Brasca, M.G, Amici, R, Orsini, P, Traquandi, G, Corti, L, Piutti, C, Sansonna, P, Villa, M, Pierce, B.S, Pulici, M, Giordano, G, Martina, K, Lfritzen, E, Nugent, R.A, Casale, E, Cameron, A, Ciomei, M, Roletto, F, Isacchi, A, Fogliatto, G, Pesenti, E, Pastori, W, Marsiglio, W, Leach, K.L, Clare, P.M, Fiorentini, F, Varasi, M, Vulpetti, A, Warpehoski, M.A.
登録日2004-05-07
公開日2004-06-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献3-Aminopyrazole Inhibitors of Cdk2/Cyclin a as Antitumor Agents. 1. Lead Finding
J.Med.Chem., 47, 2004
2C4G
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STRUCTURE OF CDK2-CYCLIN A WITH PHA-533514
分子名称: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
著者Cameron, A, Fogliatto, G, Pevarello, P, Fancelli, D, Vulpetti, A, Amici, R, Villa, M, Pittala, V, Ciomei, M, Mercurio, C, Bischoff, J.R, Roletto, F, Varasi, M, Brasca, M.G.
登録日2005-10-19
公開日2005-11-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献3-Amino-1,4,5,6-Tetrahydropyrrolo[3,4-C]Pyrazoles: A New Class of Cdk2 Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2BTR
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BU of 2btr by Molmil
STRUCTURE OF CDK2 COMPLEXED WITH PNU-198873
分子名称: CELL DIVISION PROTEIN KINASE 2, N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE
著者Vulpetti, A, Casale, E, Roletto, F, Amici, R, Villa, M, Pevarello, P.
登録日2005-06-06
公開日2005-11-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Based Drug Design to the Discovery of New 2-Aminothiazole Cdk2 Inhibitors.
J.Mol.Graph.Model., 24, 2006
2BTS
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BU of 2bts by Molmil
STRUCTURE OF CDK2 COMPLEXED WITH PNU-230032
分子名称: 4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2
著者Vulpetti, A, Casale, E, Roletto, F, Amici, R, Villa, M, Pevarello, P.
登録日2005-06-06
公開日2005-11-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure-Based Drug Design to the Discovery of New 2-Aminothiazole Cdk2 Inhibitors.
J.Mol.Graph.Model., 24, 2006
2JON
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BU of 2jon by Molmil
Solution structure of the C-terminal domain Ole e 9
分子名称: Beta-1,3-glucanase
著者Trevino, M.A, Palomares, O, Castrillo, I, Villalba, M, Rodriguez, R, Rico, M, Santoro, J, Bruix, M.
登録日2007-03-14
公開日2008-01-29
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Solution structure of the C-terminal domain of Ole e 9, a major allergen of olive pollen
Protein Sci., 17, 2008
7OQH
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BU of 7oqh by Molmil
CryoEM structure of the transcription termination factor Rho from Mycobacterium tuberculosis
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Transcription termination factor Rho
著者Saridakis, E, Vishwakarma, R, Lai Kee Him, J, Martin, K, Simon, I, Cohen-Gonsaud, M, Coste, F, Bron, P, Margeat, E, Boudvillain, M.
登録日2021-06-03
公開日2022-02-09
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Cryo-EM structure of transcription termination factor Rho from Mycobacterium tuberculosis reveals bicyclomycin resistance mechanism.
Commun Biol, 5, 2022
1SM7
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Solution structure of the recombinant pronapin precursor, BnIb.
分子名称: recombinant Ib pronapin
著者Pantoja-Uceda, D, Palomares, O, Bruix, M, Villalba, M, Rodriguez, R, Rico, M, Santoro, J.
登録日2004-03-08
公開日2005-02-01
最終更新日2013-05-01
実験手法SOLUTION NMR
主引用文献Solution structure and stability against digestion of rproBnIb, a recombinant 2S albumin from rapeseed: relationship to its allergenic properties.
Biochemistry, 43, 2004
1SS3
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Solution structure of Ole e 6, an allergen from olive tree pollen
分子名称: Pollen allergen Ole e 6
著者Trevino, M.A, Garcia-Mayoral, M.F, Barral, P, Villalba, M, Santoro, J, Rico, M, Rodriguez, R, Bruix, M.
登録日2004-03-23
公開日2004-08-03
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献NMR Solution Structure of Ole e 6, a Major Allergen from Olive Tree Pollen.
J.Biol.Chem., 279, 2004
2XE0
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BU of 2xe0 by Molmil
Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus
分子名称: 24MER DNA, ACETATE ION, I-CREI V2V3 VARIANT, ...
著者Munoz, I.G, Prieto, J, Subramanian, S, Coloma, J, Redondo, P, Villate, M, Merino, N, Marenchino, M, D'Abramo, M, Gervasio, F.L, Grizot, S, Daboussi, F, Smith, J, Chion-Sotine, I, Paques, F, Duchateau, P, Alibes, A, Stricher, F, Serrano, L, Blanco, F.J, Montoya, G.
登録日2010-05-10
公開日2010-09-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Molecular Basis of Engineered Meganuclease Targeting of the Endogenous Human Rag1 Locus
Nucleic Acids Res., 39, 2011
6YOA
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Lig v 1 structure and the inflammatory response to the Ole e 1 protein family
分子名称: Major pollen allergen Lig v 1, NICKEL (II) ION
著者Robledo-Retana, T, Bradley-Clark, J, Croll, T, Rose, R, Stagg, A, Villalba, M, Pickersgill, R.
登録日2020-04-14
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Lig v 1 structure and the inflammatory response to the Ole e 1 protein family.
Allergy, 75, 2020
5A0M
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BU of 5a0m by Molmil
THE CRYSTAL STRUCTURE OF I-SCEI IN COMPLEX WITH ITS TARGET DNA IN THE PRESENCE OF MN
分子名称: 5'-D(*CP*AP*CP*GP*CP*TP*AP*GP*GP*GP*AP*TP*AP*AP)-3', 5'-D(*CP*AP*GP*GP*GP*TP*AP*AP*TP*AP*CP)-3', 5'-D(*CP*CP*CP*TP*AP*GP*CP*GP*TP)-3', ...
著者Prieto, J, Redondo, P, Merino, N, Villate, M, Blanco, F.J, Molina, R.
登録日2015-04-21
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of the I-Scei Nuclease Complexed with its DsDNA Target and Three Catalytic Metal Ions.
Acta Crystallogr.,Sect.F, 72, 2016
5A78
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Crystal structure of the homing endonuclease I-CvuI in complex with I- CreI target (C1221) in the presence of 2 mM Mg revealing DNA not cleaved
分子名称: 24MER DNA, 5'-D(*TP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*AP *CP*GP*AP*CP*GP*TP*TP*TP*TP*GP*A)-3', DNA ENDONUCLEASE I-CVUI, ...
著者Molina, R, Redondo, P, LopezMendez, B, Villate, M, Merino, N, Blanco, F.J, Valton, J, Grizot, S, Duchateau, P, Prieto, J, Montoya, G.
登録日2015-07-03
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the Homing Endonuclease I-Cvui Provides a New Template for Genome Modification
J.Biol.Chem., 290, 2015
5A74
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Crystal structure of the homing endonuclease I-CvuI in complex with its target (Sro1.3) in the presence of 2 mM Mn
分子名称: 10MER DNA, 5'-D(*GP*AP*CP*GP*TP*TP*CP*TP*GP*AP)-3', 14MER DNA, ...
著者Molina, R, Redondo, P, LopezMendez, B, Villate, M, Merino, N, Blanco, F.J, Valton, J, Grizot, S, Duchateau, P, Prieto, J, Montoya, G.
登録日2015-07-02
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the Homing Endonuclease I-Cvui Provides a New Template for Genome Modification
J.Biol.Chem., 290, 2015
5A77
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Crystal structure of the homing endonuclease I-CvuI in complex with I- CreI target (C1221) in the presence of 2 mM Mg revealing DNA cleaved
分子名称: 10MER DNA, 5'-D(*GP*AP*CP*GP*TP*TP*TP*TP* GP*AP*DGP*AP*CP*GP*TP*TP*TP*TP*GP*A)-3', 14MER DNA, ...
著者Molina, R, Redondo, P, LopezMendez, B, Villate, M, Merino, N, Blanco, F.J, Valton, J, Grizot, S, Duchateau, P, Prieto, J, Montoya, G.
登録日2015-07-03
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the Homing Endonuclease I-Cvui Provides a New Template for Genome Modification
J.Biol.Chem., 290, 2015
4KSD
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Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain
分子名称: Multidrug resistance protein 1A, R2 protein
著者Ward, A, Szewczyk, P, Grimard, V, Lee, C.-W, Martinez, L, Doshi, R, Caya, A, Villaluz, M, Pardon, E, Cregger, C, Swartz, D.J, Falson, P, Urbatsch, I, Govaerts, C, Steyaert, J, Chang, G.
登録日2013-05-17
公開日2013-07-31
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (4.1001 Å)
主引用文献Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain.
Proc.Natl.Acad.Sci.USA, 110, 2013
5A72
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Crystal structure of the homing endonuclease I-CvuI in complex with its target (Sro1.3) in the presence of 2 mM Ca
分子名称: 24MER DNA, 5'-D(*DTP*CP*AP*GP*AP*AP*CP*GP*TP*CP*GP*TP*AP *DCP*GP*AP*CP*GP*TP*TP*CP*TP*GP*A)-3', CALCIUM ION, ...
著者Molina, R, Redondo, P, LopezMendez, B, Villate, M, Merino, N, Blanco, F.J, Valton, J, Grizot, S, Duchateau, P, Prieto, J, Montoya, G.
登録日2015-07-02
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of the Homing Endonuclease I-Cvui Provides a New Template for Genome Modification
J.Biol.Chem., 290, 2015
2XAL
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Lead derivative of Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with ADP and IP6.
分子名称: ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, INOSITOL-PENTAKISPHOSPHATE 2-KINASE, ...
著者Gonzalez, B, Banos-Sanz, J.I, Villate, M, Brearley, C.A, Sanz-Aparicio, J.
登録日2010-03-31
公開日2010-05-19
最終更新日2020-10-07
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase is a Distant Ipk Member with a Singular Inositide Binding Site for Axial 2-Oh Recognition.
Proc.Natl.Acad.Sci.USA, 107, 2010
4KSC
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Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain
分子名称: Multidrug resistance protein 1A
著者Ward, A, Szewczyk, P, Grimard, V, Lee, C.-W, Martinez, L, Doshi, R, Caya, A, Villaluz, M, Pardon, E, Cregger, C, Swartz, D.J, Falson, P, Urbatsch, I, Govaerts, C, Steyaert, J, Chang, G.
登録日2013-05-17
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain.
Proc.Natl.Acad.Sci.USA, 110, 2013
4KSB
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Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain
分子名称: Multidrug resistance protein 1A
著者Ward, A, Szewczyk, P, Grimard, V, Lee, C.-W, Martinez, L, Doshi, R, Caya, A, Villaluz, M, Pardon, E, Cregger, C, Swartz, D.J, Falson, P, Urbatsch, I, Govaerts, C, Steyaert, J, Chang, G.
登録日2013-05-17
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.8001 Å)
主引用文献Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain.
Proc.Natl.Acad.Sci.USA, 110, 2013

 

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