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6SMV
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BU of 6smv by Molmil
Structure of HPV49 E6 protein in complex with MAML1 LxxLL motif
分子名称: DI(HYDROXYETHYL)ETHER, Maltose/maltodextrin-binding periplasmic protein,Protein E6,Mastermind-like protein 1, ZINC ION, ...
著者Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Kostmann, C, Mitschler, A, Podjarny, A, Trave, G.
登録日2019-08-22
公開日2019-09-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Cellular target recognition by HPV18 and HPV49 oncoproteins
To be published
7Q41
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BU of 7q41 by Molmil
Crystal structure of RCC1-Like domain 2 of ubiquitin ligase HERC2 in complex with DXDKDED motif of ubiquitin-protein ligase E3A (E6AP)
分子名称: CITRIC ACID, E3 ubiquitin-protein ligase HERC2, Ubiquitin-protein ligase E3A (E6AP) peptide
著者Demenge, A, Howard, E, Cousido-Siah, A, Mitschler, A, Podjarny, A, McEwen, A.G, Trave, G.
登録日2021-10-29
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.01478052 Å)
主引用文献Crystal structure of RCC1-Like domain 2 of ubiquitin ligase HERC2 in complex with DXDKDED motif of ubiquitin-protein ligase E3A (E6AP)
To Be Published
5M2F
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BU of 5m2f by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and the synthetic retinoid UVI2008
分子名称: 1,2-ETHANEDIOL, 3-bromo-4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid, Aldo-keto reductase family 1 member B10, ...
著者Ruiz, F.X, Cousido-Siah, A, Mitschler, A, Porte, S, Alvarez, S, Dominguez, M, Alvarez, R, de Lera, A.R, Pares, X, Farres, J, Podjarny, A.
登録日2016-10-12
公開日2017-02-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.503 Å)
主引用文献Structural basis for the inhibition of AKR1B10 by the C3 brominated TTNPB derivative UVI2008.
Chem. Biol. Interact., 276, 2017
6SIV
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BU of 6siv by Molmil
Structure of HPV16 E6 oncoprotein in complex with mutant IRF3 LxxLL motif
分子名称: Maltose/maltodextrin-binding periplasmic protein,Interferon regulatory factor 3, Protein E6, ZINC ION, ...
著者Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Mitschler, A, Podjarny, A, Trave, G.
登録日2019-08-12
公開日2019-08-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Deciphering the molecular and structural interaction between IRF3 and HPV16 E6
To be published
1MV9
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BU of 1mv9 by Molmil
Crystal Structure of the human RXR alpha ligand binding domain bound to the eicosanoid DHA (Docosa Hexaenoic Acid) and a coactivator peptide
分子名称: DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, Nuclear receptor coactivator 2, RXR retinoid X receptor
著者Egea, P.F, Mitschler, A, Moras, D.
登録日2002-09-24
公開日2002-10-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular Recognition of Agonist Ligands by RXRs
MOL.ENDOCRINOL., 16, 2002
2QXW
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BU of 2qxw by Molmil
Perdeuterated alr2 in complex with idd594
分子名称: Aldose reductase, CITRIC ACID, IDD594, ...
著者Blakeley, M.P, Ruiz, F, Cachau, R, Hazemann, I, Meilleur, F, Mitschler, A, Ginell, S, Afonine, P, Ventura, O, Cousido-Siah, A, Joachimiak, A, Myles, D, Podjarny, A.
登録日2007-08-13
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2PFH
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BU of 2pfh by Molmil
Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is less than concentration of IDD594.
分子名称: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ...
著者Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A.
登録日2007-04-05
公開日2007-04-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
5LIK
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BU of 5lik by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK181
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A.
登録日2016-07-14
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
5LIY
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BU of 5liy by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK204
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A.
登録日2016-07-15
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
5LIW
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BU of 5liw by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK319
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A.
登録日2016-07-15
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
5LIX
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BU of 5lix by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK184
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A.
登録日2016-07-15
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
2PEV
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BU of 2pev by Molmil
Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution exceeds concentration of IDD594.
分子名称: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ...
著者Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A.
登録日2007-04-03
公開日2007-04-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
5LIU
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BU of 5liu by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor IDD388
分子名称: (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, ...
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A.
登録日2016-07-15
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
2R24
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BU of 2r24 by Molmil
Human Aldose Reductase structure
分子名称: Aldose reductase, IDD594, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Blakeley, M.P, Ruiz, F, Cachau, R, Hazemann, I, Meilleur, F, Mitschler, A, Ginell, S, Afonine, P, Ventura, O.N, Cousido-Siah, A, Haertlein, M, Joachimiak, A, Myles, D, Podjarny, A.
登録日2007-08-24
公開日2008-12-23
最終更新日2024-02-21
実験手法NEUTRON DIFFRACTION (1.752 Å), X-RAY DIFFRACTION
主引用文献Quantum model of catalysis based on mobile proton revealed by subatomic X-Ray and neutron diffraction studies of h-Aldose Reductase
Proc.Natl.Acad.Sci.USA, 105, 2008
2PF8
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BU of 2pf8 by Molmil
Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is equal to concentration of IDD594.
分子名称: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ...
著者Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A.
登録日2007-04-04
公開日2007-04-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
1HTT
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BU of 1htt by Molmil
HISTIDYL-TRNA SYNTHETASE
分子名称: ADENOSINE MONOPHOSPHATE, HISTIDINE, HISTIDYL-TRNA SYNTHETASE
著者Arnez, J.G, Harris, D.C, Mitschler, A, Rees, B, Francklyn, C.S, Moras, D.
登録日1996-03-09
公開日1997-01-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of histidyl-tRNA synthetase from Escherichia coli complexed with histidyl-adenylate.
EMBO J., 14, 1995
2PZN
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BU of 2pzn by Molmil
The crystallographic structure of Aldose Reductase IDD393 complex confirms Leu300 as a specificity determinant
分子名称: (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Ruiz, F, Hazemann, I, Darmanin, C, Mitschler, A, Van Zandt, M, Joachimiak, A, El-Kabbani, O, Podjarny, A.
登録日2007-05-18
公開日2008-05-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献The Crystallographic Structure of Alr2-Idd393 Complex Confirms Leu300 as a Specificity Determinant
To be Published
1PWM
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BU of 1pwm by Molmil
Crystal structure of human Aldose Reductase complexed with NADP and Fidarestat
分子名称: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者El-Kabbani, O, Darmanin, C, Schneider, T.R, Hazemann, I, Ruiz, F, Oka, M, Joachimiak, A, Schulze-Briese, C, Tomizaki, T, Mitschler, A, Podjarny, A.
登録日2003-07-02
公開日2004-02-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (0.92 Å)
主引用文献Ultrahigh resolution drug design. II. Atomic resolution structures of human aldose reductase holoenzyme complexed with Fidarestat and Minalrestat: implications for the binding of cyclic imide inhibitors
PROTEINS, 55, 2004
6SLM
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BU of 6slm by Molmil
Crystal structure of full-length HPV31 E6 oncoprotein in complex with LXXLL peptide of ubiquitin ligase E6AP
分子名称: GLYCEROL, Maltose/maltodextrin-binding periplasmic protein,Protein E6,Ubiquitin-protein ligase E3A, ZINC ION, ...
著者Conrady, M, Gogl, G, Cousido-Siah, A, Mitschler, A, Trave, G, Simon, C.
登録日2019-08-20
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of High-Risk Papillomavirus 31 E6 Oncogenic Protein and Characterization of E6/E6AP/p53 Complex Formation.
J.Virol., 95, 2020
1PWL
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BU of 1pwl by Molmil
Crystal structure of human Aldose Reductase complexed with NADP and Minalrestat
分子名称: 2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase
著者El-Kabbani, O, Darmanin, C, Schneider, T.R, Hazemann, I, Ruiz, F, Oka, M, Joachimiak, A, Schulze-Briese, C, Tomizaki, T, Mitschler, A, Podjarny, A.
登録日2003-07-02
公開日2004-02-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Ultrahigh resolution drug design. II. Atomic resolution structures of human aldose reductase holoenzyme complexed with Fidarestat and Minalrestat: implications for the binding of cyclic imide inhibitors
PROTEINS, 55, 2004
1T40
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BU of 1t40 by Molmil
Crystal structure of human aldose reductase complexed with NADP and IDD552 at ph 5
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID
著者Ruiz, F, Hazemann, I, Mitschler, A, Chevrier, B, Schneider, T, Joachimiak, A, Karplus, M, Podjarny, A.
登録日2004-04-28
公開日2004-08-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystallographic structure of the aldose reductase-IDD552 complex shows direct proton donation from tyrosine 48.
Acta Crystallogr.,Sect.D, 60, 2004
1T41
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BU of 1t41 by Molmil
Crystal structure of human aldose reductase complexed with NADP and IDD552
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID
著者Ruiz, F, Hazemann, I, Mitschler, A, Chevrier, B, Schneider, T, Joachimiak, A, Karplus, M, Podjarny, A.
登録日2004-04-28
公開日2004-08-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献The crystallographic structure of the aldose reductase-IDD552 complex shows direct proton donation from tyrosine 48.
Acta Crystallogr.,Sect.D, 60, 2004
4XR8
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BU of 4xr8 by Molmil
Crystal structure of the HPV16 E6/E6AP/p53 ternary complex at 2.25 A resolution
分子名称: 1,2-ETHANEDIOL, Cellular tumor antigen p53, DI(HYDROXYETHYL)ETHER, ...
著者Martinez-Zapien, D, Ruiz, F.X, Mitschler, A, Podjarny, A, Trave, G, Zanier, K.
登録日2015-01-20
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of the E6/E6AP/p53 complex required for HPV-mediated degradation of p53.
Nature, 529, 2016
5NRA
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BU of 5nra by Molmil
Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7g
分子名称: 1-(5-azanyl-4~{H}-1,2,4-triazol-3-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-(2-methylpropyl)piperidin-4-amine, Chitotriosidase-1, GLYCEROL
著者Mazur, M, Olczak, J, Olejniczak, S, Koralewski, R, Czestkowski, W, Jedrzejczak, A, Golab, J, Dzwonek, K, Dymek, B, Sklepkiewicz, P, Zagozdzon, A, Noonan, T, Mahboubi, K, Conway, B, Sheeler, R, Beckett, P, Hungerford, W.M, Podjarny, A, Mitschler, A, Cousido-Siah, A, Fadel, F, Golebiowski, A.
登録日2017-04-22
公開日2018-03-28
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.267 Å)
主引用文献Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma.
J. Med. Chem., 61, 2018
6SQC
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BU of 6sqc by Molmil
Crystal structure of complex between nuclear coactivator binding domain of CBP and [1040-1086]ACTR containing alpha-methylated Leu1055 and Leu1076
分子名称: 1,2-ETHANEDIOL, Maltose/maltodextrin-binding periplasmic protein,CREB-binding protein, Nuclear receptor coactivator 3, ...
著者Bauer, V, Schmidtgall, B, Gogl, G, Dolenc, j, Osz, J, Kostmann, C, Mitschler, A, Cousido-Siah, A, Rochel, N, Trave, G, Kieffer, B, Torbeev, V.
登録日2019-09-03
公開日2020-09-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Conformational editing of intrinsically disordered protein by alpha-methylation.
Chem Sci, 12, 2020

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