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3Q65
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Human Aldose Reductase in Complex with NADP+ in Space Group P212121
分子名称: Aldose reductase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Sawaya, M.R, Cascio, D, Balendiran, G.K.
登録日2010-12-30
公開日2011-01-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The role of Cys-298 in aldose reductase function.
J.Biol.Chem., 286, 2011
3Q67
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BU of 3q67 by Molmil
Human Aldose Reductase C298S mutant in Complex with NADP+ in Space Group P212121
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
著者Sawaya, M.R, Cascio, D, Balendiran, G.K.
登録日2010-12-30
公開日2011-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The role of Cys-298 in aldose reductase function.
J.Biol.Chem., 286, 2011
3LQG
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Human aldose reductase mutant T113A complexed with IDD388
分子名称: (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, Aldose reductase, BROMIDE ION, ...
著者Koch, C, Heine, A, Klebe, G.
登録日2010-02-09
公開日2010-12-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors
J.Mol.Biol., 406, 2011
3LBO
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BU of 3lbo by Molmil
Human aldose reductase mutant T113C complexed with IDD594
分子名称: Aldose reductase, BROMIDE ION, CITRIC ACID, ...
著者Koch, C, Heine, A, Klebe, G.
登録日2010-01-08
公開日2010-12-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors
J.Mol.Biol., 406, 2011
3LEP
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BU of 3lep by Molmil
Human Aldose Reductase mutant T113C in complex with IDD388
分子名称: (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, Aldose reductase, BROMIDE ION, ...
著者Koch, C, Heine, A, Klebe, G.
登録日2010-01-15
公開日2010-12-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors
J.Mol.Biol., 406, 2011
3LQL
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Human Aldose Reductase mutant T113A complexed with IDD 594
分子名称: Aldose reductase, BROMIDE ION, CITRIC ACID, ...
著者Koch, C, Heine, A, Klebe, G.
登録日2010-02-09
公開日2010-12-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors
J.Mol.Biol., 406, 2011
3LZ3
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BU of 3lz3 by Molmil
Human aldose reductase mutant T113S complexed with IDD388
分子名称: (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, Aldose reductase, BROMIDE ION, ...
著者Koch, C, Heine, A, Klebe, G.
登録日2010-03-01
公開日2010-12-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors
J.Mol.Biol., 406, 2011
3LD5
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BU of 3ld5 by Molmil
Human aldose reductase mutant T113S complexed with IDD594
分子名称: Aldose reductase, BROMIDE ION, CITRIC ACID, ...
著者Koch, C, Heine, A, Klebe, G.
登録日2010-01-12
公開日2010-12-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors
J.Mol.Biol., 406, 2011
3M4H
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BU of 3m4h by Molmil
Human Aldose Reductase mutant T113V complexed with IDD388
分子名称: (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, Aldose reductase, BROMIDE ION, ...
著者Koch, C, Heine, A, Klebe, G.
登録日2010-03-11
公開日2010-12-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors
J.Mol.Biol., 406, 2011
3LZ5
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BU of 3lz5 by Molmil
Human aldose reductase mutant T113V complexed with IDD594
分子名称: Aldose Reductase, CITRIC ACID, IDD594, ...
著者Koch, C, Heine, A, Klebe, G.
登録日2010-03-01
公開日2010-12-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors
J.Mol.Biol., 406, 2011
3O0K
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BU of 3o0k by Molmil
Crystal structure of ALDO/KETO reductase from brucella melitensis
分子名称: 1,2-ETHANEDIOL, Aldo/keto reductase, GLYCEROL
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-07-19
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of ALDO/KETO reductase from brucella melitensis
TO BE PUBLISHED
3N2T
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BU of 3n2t by Molmil
Structure of the glycerol dehydrogenase AKR11B4 from Gluconobacter oxydans
分子名称: Putative oxidoreductase
著者Richter, N, Breicha, K, Hummel, W, Niefind, K.
登録日2010-05-19
公開日2010-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Three-Dimensional Structure of AKR11B4, a Glycerol Dehydrogenase from Gluconobacter oxydans, Reveals a Tryptophan Residue as an Accelerator of Reaction Turnover.
J.Mol.Biol., 404, 2010
3LUT
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BU of 3lut by Molmil
A Structural Model for the Full-length Shaker Potassium Channel Kv1.2
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, Potassium voltage-gated channel subfamily A member 2, ...
著者Chen, X, Ni, F, Wang, Q, Ma, J.
登録日2010-02-18
公開日2010-06-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of the full-length Shaker potassium channel Kv1.2 by normal-mode-based X-ray crystallographic refinement.
Proc.Natl.Acad.Sci.USA, 107, 2010
3LNM
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F233W mutant of the Kv2.1 paddle-Kv1.2 chimera channel
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, F233W mutant of the Kv2.1 paddle-Kv1.2 chimera, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Tao, X, Lee, A, Limapichat, W, Dougherty, D.A, MacKinnon, R.
登録日2010-02-02
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A gating charge transfer center in voltage sensors.
Science, 328, 2010
3LN3
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BU of 3ln3 by Molmil
Crystal structure of Putative reductase (NP_038806.2) from MUS MUSCULUS at 1.18 A resolution
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Dihydrodiol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2010-02-01
公開日2010-02-16
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Crystal structure of Putative reductase (NP_038806.2) from MUS MUSCULUS at 1.18 A resolution
To be published
2WZM
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BU of 2wzm by Molmil
Crystal structure of a mycobacterium aldo-keto reductase in its apo and liganded form
分子名称: ALDO-KETO REDUCTASE, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
著者Scoble, J, McAlister, A.D, Fulton, Z, Troy, S, Byres, E, Vivian, J.P, Brammananth, R, Wilce, M.C.J, Le Nours, J, Zaker-Tabrizi, L, Coppel, R.L, Crellin, P.K, Rossjohn, J, Beddoe, T.
登録日2009-11-30
公開日2010-02-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal Structure and Comparative Functional Analyses of a Mycobacterium Aldo-Keto Reductase.
J.Mol.Biol., 398, 2010
2WZT
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BU of 2wzt by Molmil
Crystal structure of a mycobacterium aldo-keto reductase in its apo and liganded form
分子名称: ALDO-KETO REDUCTASE
著者Scoble, J, McAlister, A.D, Fulton, Z, Troy, S, Byres, E, Vivian, J.P, Brammananth, R, Wilce, M.C.J, Le Nours, J, Zaker-Tabrizi, L, Coppel, R.L, Crellin, P.K, Rossjohn, J, Beddoe, T.
登録日2009-12-03
公開日2010-02-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure and Comparative Functional Analyses of a Mycobacterium Aldo-Keto Reductase.
J.Mol.Biol., 398, 2010
3GUG
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BU of 3gug by Molmil
Crystal structure of AKR1C1 L308V mutant in complex with NADP and 3,5-dichlorosalicylic acid
分子名称: 3,5-dichloro-2-hydroxybenzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Dhagat, U, El-Kabbani, O.
登録日2009-03-30
公開日2010-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of AKR1C1 L308V mutant in complex with NADP and 3,5-dichlorosalicylic acid
To be Published
3FX4
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BU of 3fx4 by Molmil
Porcine aldehyde reductase in ternary complex with inhibitor
分子名称: Alcohol dehydrogenase [NADP+], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
著者Carbone, V, El-Kabbani, O.
登録日2009-01-20
公開日2009-12-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure of aldehyde reductase in ternary complex with a 5-arylidene-2,4-thiazolidinedione aldose reductase inhibitor.
Eur.J.Med.Chem., 45, 2010
3KRB
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BU of 3krb by Molmil
Structure of Aldose Reductase from Giardia Lamblia at 1.75A Resolution
分子名称: 1,2-ETHANEDIOL, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-11-18
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of aldose reductase from Giardia lamblia.
Acta Crystallogr.,Sect.F, 67, 2011
3FJN
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BU of 3fjn by Molmil
The crystal structure of 17-alpha hydroxysteroid dehydrogenase Y224D mutant.
分子名称: ACETATE ION, Aldo-keto reductase family 1 member C21
著者Dhagat, U, El-Kabbani, O.
登録日2008-12-14
公開日2009-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Studies on a Tyr residue critical for the binding of coenzyme and substrate in mouse 3(17)alpha-hydroxysteroid dehydrogenase (AKR1C21): structure of the Y224D mutant enzyme
Acta Crystallogr.,Sect.D, 66, 2010
3H7U
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BU of 3h7u by Molmil
Crystal structure of the plant stress-response enzyme AKR4C9
分子名称: ACETATE ION, Aldo-keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者White, S.A, Simpson, P.J, Ride, J.P.
登録日2009-04-28
公開日2009-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Characterization of two novel aldo-keto reductases from Arabidopsis: expression patterns, broad substrate specificity, and an open active-site structure suggest a role in toxicant metabolism following stress.
J.Mol.Biol., 392, 2009
3H7R
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BU of 3h7r by Molmil
Crystal structure of the plant stress-response enzyme AKR4C8
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase, ...
著者White, S.A, Simpson, P.J, Ride, J.P.
登録日2009-04-28
公開日2009-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Characterization of two novel aldo-keto reductases from Arabidopsis: expression patterns, broad substrate specificity, and an open active-site structure suggest a role in toxicant metabolism following stress.
J.Mol.Biol., 392, 2009
3G1R
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BU of 3g1r by Molmil
Crystal structure of human liver 5beta-reductase (AKR1D1) in complex with NADP and Finasteride. Resolution 1.70 A
分子名称: (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide, 3-oxo-5-beta-steroid 4-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Di Costanzo, L, Drury, J.E, Penning, T.M, Christianson, D.W.
登録日2009-01-30
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Inhibition of human steroid 5beta-reductase (AKR1D1) by finasteride and structure of the enzyme-inhibitor complex.
J.Biol.Chem., 284, 2009
3H4G
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BU of 3h4g by Molmil
Structure of aldehyde reductase holoenzyme in complex with potent aldose reductase inhibitor Fidarestat: Implications for inhibitor binding and selectivity
分子名称: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Alcohol dehydrogenase [NADP+], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Carbone, V, El-Kabbani, O.
登録日2009-04-20
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of aldehyde reductase holoenzyme in complex with the potent aldose reductase inhibitor fidarestat: implications for inhibitor binding and selectivity
J.Med.Chem., 48, 2005

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