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1J96
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Human 3alpha-HSD type 3 in Ternary Complex with NADP and Testosterone
分子名称: 3alpha-hydroxysteroid dehydrogenase type 3, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Nahoum, V, Labrie, F, Lin, S.-X.
登録日2001-05-23
公開日2002-05-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structure of the human 3alpha-hydroxysteroid dehydrogenase type 3 in complex with testosterone and NADP at 1.25-A resolution.
J.Biol.Chem., 276, 2001
6F84
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AKR1B1 at 2.55 MGy radiation dose.
分子名称: Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Castellvi, A, Juanhuix, J.
登録日2017-12-12
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
6F8O
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AKR1B1 at 3.45 MGy radiation dose.
分子名称: Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Castellvi, A, Juanhuix, J.
登録日2017-12-13
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
6F81
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AKR1B1 at 0.75 MGy radiation dose.
分子名称: Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Castellvi, A, Juanhuix, J.
登録日2017-12-12
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
6F78
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Potent and selective Aldo-Keto Reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: Application of a Bioisosteric Scaffold Hopping Approach to Flufenamic acid
分子名称: 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one, Aldo-keto reductase family 1 member C3, CHLORIDE ION, ...
著者Goyal, P, Wahlgren, W.Y, Friemann, R.
登録日2017-12-07
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid.
Eur J Med Chem, 150, 2018
6T3P
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BU of 6t3p by Molmil
Human Aldose Reductase Mutant L300A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
分子名称: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Hubert, L.-S, Ley, M, Heine, A, Klebe, G.
登録日2019-10-11
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Human Aldose Reductase Mutant L300A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
To Be Published
6F2U
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BU of 6f2u by Molmil
Potent and selective Aldo-Keto Reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a Bioisosteric Scaffold Hopping Approach to Flufenamic acid
分子名称: 3-[(4-methoxyphenyl)methyl]-5-oxidanyl-~{N}-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Goyal, P, Wahlgren, W.Y, Friemann, R.
登録日2017-11-27
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid.
Eur J Med Chem, 150, 2018
6F82
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AKR1B1 at 1.65 MGy radiation dose.
分子名称: Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Castellvi, A, Juanhuix, J.
登録日2017-12-12
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
6F7R
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BU of 6f7r by Molmil
AKR1B1 at 0.03 MGy radiation dose.
分子名称: Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Castellvi, A, Juanhuix, J.
登録日2017-12-11
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.92 Å)
主引用文献Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
6T27
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BU of 6t27 by Molmil
Structure of Human Aldose Reductase Mutant L301A with a Citrate Molecule Bound in the Anion Binding Pocket
分子名称: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hubert, L.-S, Ley, M, Heine, A, Klebe, G.
登録日2019-10-08
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Structure of Human Aldose Reductase Mutant L301A with a Citrate Molecule Bound in the Anion Binding Pocket
To Be Published
1HW6
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BU of 1hw6 by Molmil
CRYSTAL STRUCTURE OF APO-2,5-DIKETO-D-GLUCONATE REDUCTASE
分子名称: 2,5-DIKETO-D-GLUCONIC ACID REDUCTASE, CHLORIDE ION, MAGNESIUM ION
著者Sanli, G, Blaber, M.
登録日2001-01-09
公開日2001-06-20
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural assembly of the active site in an aldo-keto reductase by NADPH cofactor.
J.Mol.Biol., 309, 2001
1JEZ
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THE STRUCTURE OF XYLOSE REDUCTASE, A DIMERIC ALDO-KETO REDUCTASE FROM CANDIDA TENUIS
分子名称: XYLOSE REDUCTASE
著者Kavanagh, K.L, Klimacek, M, Nidetzky, B, Wilson, D.K.
登録日2001-06-19
公開日2002-07-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structure of apo and holo forms of xylose reductase, a dimeric aldo-keto reductase from Candida tenuis.
Biochemistry, 41, 2002
6T5G
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BU of 6t5g by Molmil
Structure of Human Aldose Reductase Mutant L300A with a Citrate Molecule Bound in the Anion Binding Pocket
分子名称: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hubert, L.-S, Ley, M, Heine, A, Klebe, G.
登録日2019-10-16
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Structure of Human Aldose Reductase Mutant L300A with a Citrate Molecule Bound in the Anion Binding Pocket
To Be Published
1K8C
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BU of 1k8c by Molmil
Crystal structure of dimeric xylose reductase in complex with NADP(H)
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, xylose reductase
著者Kavanagh, K.L, Klimacek, M, Nidetzky, B, Wilson, D.K.
登録日2001-10-23
公開日2002-07-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of apo and holo forms of xylose reductase, a dimeric aldo-keto reductase from Candida tenuis.
Biochemistry, 41, 2002
6TD8
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BU of 6td8 by Molmil
Human Aldose Reductase Mutant L301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
分子名称: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Hubert, L.-S, Ley, M, Heine, A, Klebe, G.
登録日2019-11-08
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Human Aldose Reductase Mutant L301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
To Be Published
6SYW
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human Aldose Reductase in complex with SAR25
分子名称: 2-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Sandner, A, Heine, A, Klebe, G.
登録日2019-10-01
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献human Aldose Reductase in complex with SAR25
To Be Published
6T7Q
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Human Aldose Reductase Mutant L301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
分子名称: 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldo-keto reductase family 1 member B1, CITRIC ACID, ...
著者Hubert, L.-S, Ley, M, Heine, A, Klebe, G.
登録日2019-10-23
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Human Aldose Reductase Mutant L301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
To Be Published
6TUC
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BU of 6tuc by Molmil
Human Aldose Reductase in complex with ALR25
分子名称: 2-(2-((3-boronobenzyl)carbamoyl)-5-fluorophenoxy)acetic acid, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Sandner, A, Heine, A, Klebe, G.
登録日2020-01-06
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Human Aldose Reductase in complex with SAR25
To Be Published
1HQT
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BU of 1hqt by Molmil
THE CRYSTAL STRUCTURE OF AN ALDEHYDE REDUCTASE Y50F MUTANT-NADP COMPLEX AND ITS IMPLICATIONS FOR SUBSTRATE BINDING
分子名称: ALDEHYDE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Ye, Q, Hyndman, D, Green, N.C, Li, L, Korithoski, B, Jia, Z, Flynn, T.G.
登録日2000-12-19
公開日2001-05-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Crystal Structure of an Aldehyde Reductase Y50F Mutant-NADP Complex and its Implications for Substrate Binding
Chem.Biol.Interact., 132, 2001
6TUF
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BU of 6tuf by Molmil
Human Aldose Reductase in complex with ALR43
分子名称: 2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Sandner, A, Heine, A, Klebe, G.
登録日2020-01-07
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Human Aldose Reductase in complex with SAR25
To Be Published
6TXP
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BU of 6txp by Molmil
Human Aldose Reductase Mutant L300A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
分子名称: (2-carbamoyl-5-fluorophenoxy)acetic acid, 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldo-keto reductase family 1 member B1, ...
著者Hubert, L.-S, Ley, M, Heine, A, Klebe, G.
登録日2020-01-14
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Human Aldose Reductase Mutant L300A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
To Be Published
1LQA
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BU of 1lqa by Molmil
TAS PROTEIN FROM ESCHERICHIA COLI IN COMPLEX WITH NADPH
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Tas protein
著者Obmolova, G, Teplyakov, A, Khil, P.P, Howard, A.J, Camerini-Otero, R.D, Gilliland, G.L, Structure 2 Function Project (S2F)
登録日2002-05-09
公開日2003-07-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献Crystal structure of the Escherichia coli Tas protein, an NADP(H)-dependent aldo-keto reductase
PROTEINS: STRUCT.,FUNCT.,GENET., 53, 2003
1LWI
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BU of 1lwi by Molmil
3-ALPHA-HYDROXYSTEROID/DIHYDRODIOL DEHYDROGENASE FROM RATTUS NORVEGICUS
分子名称: 3-ALPHA-HYDROXYSTEROID/DIHYDRODIOL DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bennett, M.J, Schlegel, B.P, Jez, J.M, Penning, T.M, Lewis, M.
登録日1996-02-24
公開日1996-12-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of 3 alpha-hydroxysteroid/dihydrodiol dehydrogenase complexed with NADP+.
Biochemistry, 35, 1996
8FH5
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Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And AT-001
分子名称: (8-oxo-7-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-7,8-dihydropyrazino[2,3-d]pyridazin-5-yl)acetic acid, Aldo-keto reductase family 1 member B1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Arenas, R, Wilson, D.K.
登録日2022-12-13
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And AT-001
To Be Published
8FH6
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Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Two AT-001
分子名称: (8-oxo-7-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-7,8-dihydropyrazino[2,3-d]pyridazin-5-yl)acetic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B1, ...
著者Arenas, R, Wilson, D.K.
登録日2022-12-13
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Two AT-001
To Be Published

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件を2024-10-09に公開中

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