8FH8
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8HNQ
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![BU of 8hnq by Molmil](/molmil-images/mine/8hnq) | The structure of a alcohol dehydrogenase AKR13B2 with NADP | 分子名称: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Chen, M, Yang, H, Lu, F. | 登録日 | 2022-12-08 | 公開日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The structure of AKR13B2 To Be Published
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8BJL
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8BBS
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![BU of 8bbs by Molmil](/molmil-images/mine/8bbs) | Structure of AKR1C3 in complex with a bile acid fused tetrazole inhibitor | 分子名称: | (4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Petri, E.T, Skerlova, J, Marinovic, M, Brynda, J, Kugler, M, Skoric, D, Bekic, S, Celic, A.S, Rezacova, P. | 登録日 | 2022-10-14 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | X-ray structure of human aldo-keto reductase 1C3 in complex with a bile acid fused tetrazole inhibitor: experimental validation, molecular docking and structural analysis. Rsc Med Chem, 14, 2023
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8B66
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8B3N
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8B3R
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8B34
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8AUU
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8AQP
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8AQG
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8AE9
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![BU of 8ae9 by Molmil](/molmil-images/mine/8ae9) | Human Aldose Reductase in Complex with a Hydroxyphenyl-Thiophen-Acid Inhibitor (Schl32357) | 分子名称: | 5-(5-(3-hydroxyphenyl)thiophen-2-yl)pentanoic acid, Aldose reductase, DIMETHYL SULFOXIDE, ... | 著者 | Hubert, L.-S, Heine, A, Klebe, G, Reul, S. | 登録日 | 2022-07-12 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | 主引用文献 | Human Aldose Reductase in Complex with a Hydroxyphenyl-Thiophen-Acid Inhibitor (Schl32357) To Be Published
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8A4N
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7UTF
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![BU of 7utf by Molmil](/molmil-images/mine/7utf) | Structure-Function characterization of an aldo-keto reductase involved in detoxification of the mycotoxin, deoxynivalenol | 分子名称: | CITRATE ANION, Putative oxidoreductase, aryl-alcohol dehydrogenase like protein, ... | 著者 | Abraham, N, Schroeter, K.L, Kimber, M.S, Seah, S.Y.K. | 登録日 | 2022-04-26 | 公開日 | 2022-09-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure-function characterization of an aldo-keto reductase involved in detoxification of the mycotoxin, deoxynivalenol. Sci Rep, 12, 2022
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7X3O
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![BU of 7x3o by Molmil](/molmil-images/mine/7x3o) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07054 | 分子名称: | (2~{R})-2-(3-fluoranyl-4-pyrimidin-5-yl-phenyl)butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | 登録日 | 2022-03-01 | 公開日 | 2023-03-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07054 To Be Published
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7X3L
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![BU of 7x3l by Molmil](/molmil-images/mine/7x3l) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07044 | 分子名称: | (2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | 登録日 | 2022-03-01 | 公開日 | 2023-03-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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7X3M
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![BU of 7x3m by Molmil](/molmil-images/mine/7x3m) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045 | 分子名称: | (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | 登録日 | 2022-03-01 | 公開日 | 2023-03-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.694 Å) | 主引用文献 | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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7TWZ
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7WQS
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![BU of 7wqs by Molmil](/molmil-images/mine/7wqs) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 25 | 分子名称: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | 登録日 | 2022-01-26 | 公開日 | 2023-01-04 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer. Eur.J.Med.Chem., 247, 2022
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7WQR
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![BU of 7wqr by Molmil](/molmil-images/mine/7wqr) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 28 | 分子名称: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ~{N}-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide | 著者 | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | 登録日 | 2022-01-25 | 公開日 | 2023-01-04 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.124 Å) | 主引用文献 | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer. Eur.J.Med.Chem., 247, 2022
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7WQM
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![BU of 7wqm by Molmil](/molmil-images/mine/7wqm) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 24 | 分子名称: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(2-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | 登録日 | 2022-01-25 | 公開日 | 2023-01-04 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer. Eur.J.Med.Chem., 247, 2022
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7WF3
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![BU of 7wf3 by Molmil](/molmil-images/mine/7wf3) | Composite map of human Kv1.3 channel in apo state with beta subunits | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3, ... | 著者 | Tyagi, A, Ahmed, T, Jian, S, Bajaj, S, Ong, S.T, Goay, S.S.M, Zhao, Y, Vorobyov, I, Tian, C, Chandy, K.G, Bhushan, S. | 登録日 | 2021-12-25 | 公開日 | 2022-02-09 | 最終更新日 | 2022-05-25 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Rearrangement of a unique Kv1.3 selectivity filter conformation upon binding of a drug. Proc.Natl.Acad.Sci.USA, 119, 2022
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7WF4
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![BU of 7wf4 by Molmil](/molmil-images/mine/7wf4) | Composite map of human Kv1.3 channel in dalazatide-bound state with beta subunits | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3, ... | 著者 | Tyagi, A, Ahmed, T, Jian, S, Bajaj, S, Ong, S.T, Goay, S.S.M, Zhao, Y, Vorobyov, I, Tian, C, Chandy, K.G, Bhushan, S. | 登録日 | 2021-12-25 | 公開日 | 2022-02-09 | 最終更新日 | 2022-05-25 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Rearrangement of a unique Kv1.3 selectivity filter conformation upon binding of a drug. Proc.Natl.Acad.Sci.USA, 119, 2022
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7W1W
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![BU of 7w1w by Molmil](/molmil-images/mine/7w1w) | NADPH-bound AKR4C17 mutant F291D | 分子名称: | AKR4-2, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Li, H, Yang, Y, Hu, Y, Chen, C.-C, Huang, J.-W, Min, J, Dai, L, Guo, R.-T. | 登録日 | 2021-11-21 | 公開日 | 2022-07-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Structural analysis and engineering of aldo-keto reductase from glyphosate-resistant Echinochloa colona J Hazard Mater, 436, 2022
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7W1X
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![BU of 7w1x by Molmil](/molmil-images/mine/7w1x) | Crystal structure of AKR4C16 bound with NADPH | 分子名称: | AKR4-1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Li, H, Yang, Y, Hu, Y, Chen, C.-C, Huang, J.-W, Min, J, Dai, L, Guo, R.-T. | 登録日 | 2021-11-21 | 公開日 | 2022-07-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural analysis and engineering of aldo-keto reductase from glyphosate-resistant Echinochloa colona J Hazard Mater, 436, 2022
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