PDB: 480 件ウェブページステータス検索Chemie searchBIRD

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3S3G	Crystal Structure of Human Aldose Reductase Complexed with Tolmetin 分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Tolmetin 著者 Zheng, X, Chen, J, Luo, H, Hu, X. 登録日 2011-05-18 公開日 2012-04-04 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase. Febs Lett., 586, 2012
3R6I	AKR1C3 complex with meclofenamic acid 分子名称: 1,2-ETHANEDIOL, 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C3, ... 著者 Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. 登録日 2011-03-21 公開日 2012-05-02 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
3T42	Human aldose reductase in complex with a nitrile-containing IDD inhibitor 分子名称: Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Xu, L, Cohen, A.E, Boxer, S.G. 登録日 2011-07-25 公開日 2011-10-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.28 Å) 主引用文献 Electrostatic Fields near the Active Site of Human Aldose Reductase: 2. New Inhibitors and Complications Caused by Hydrogen Bonds. Biochemistry, 50, 2011
3R8G	AKR1C3 complex with ibuprofen 分子名称: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ... 著者 Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. 登録日 2011-03-24 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.799 Å) 主引用文献 Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
3R7M	AKR1C3 complex with sulindac 分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. 登録日 2011-03-22 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
3R8H	AKR1C3 complex with zomepirac 分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. 登録日 2011-03-24 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
3U2C	Aldose reductase in complex with NSAID-type inhibitor at 1.0 A resolution 分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Aldose reductase, CITRIC ACID, ... 著者 Steuber, H. 登録日 2011-10-03 公開日 2011-11-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 An old NSAID revisited: crystal structure of aldose reductase in complex with sulindac at 1.0 A supports a novel mechanism for its anticancer and antiproliferative effects. Chemmedchem, 6, 2011
3Q65	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
3V0S	Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding 分子名称: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Perakine reductase 著者 Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J. 登録日 2011-12-08 公開日 2012-02-22 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.773 Å) 主引用文献 Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding. J.Biol.Chem., 287, 2012
3UYI	Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding 分子名称: Perakine reductase 著者 Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J. 登録日 2011-12-06 公開日 2012-02-22 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.313 Å) 主引用文献 Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding. J.Biol.Chem., 287, 2012
3UZX	Crystal structure of 5beta-reductase (AKR1D1) E120H mutant in complex with NADP+ and epiandrosterone 分子名称: (3Beta,5alpha)-3-Hydroxyandrostan-17-one, 3-oxo-5-beta-steroid 4-dehydrogenase, 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL, ... 著者 Chen, M, Christianson, D.W, Penning, T.M. 登録日 2011-12-07 公開日 2012-03-21 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.637 Å) 主引用文献 Conversion of Human Steroid 5beta-Reductase (AKR1D1) into 3β-Hydroxysteroid Dehydrogenase by Single Point Mutation E120H: EXAMPLE OF PERFECT ENZYME ENGINEERING. J.Biol.Chem., 287, 2012
3UWE	AKR1C3 complexed with 3-phenoxybenzoic acid 分子名称: 1,2-ETHANEDIOL, 3-phenoxybenzoic acid, Aldo-keto reductase family 1 member C3, ... 著者 Jackson, V.J, Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. 登録日 2011-12-01 公開日 2012-04-04 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Structure of AKR1C3 with 3-phenoxybenzoic acid bound Acta Crystallogr.,Sect.F, 68, 2012
3UZZ	Crystal structure of 5beta-reductase (AKR1D1) E120H mutant in complex with NADP+ and delta4-androstenedione 分子名称: 3-oxo-5-beta-steroid 4-dehydrogenase, 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, ... 著者 Chen, M, Christianson, D.W, Penning, T.M. 登録日 2011-12-07 公開日 2012-03-21 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Conversion of Human Steroid 5beta-Reductase (AKR1D1) into 3β-Hydroxysteroid Dehydrogenase by Single Point Mutation E120H: EXAMPLE OF PERFECT ENZYME ENGINEERING. J.Biol.Chem., 287, 2012
3V0T	Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding 分子名称: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Perakine Reductase 著者 Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J. 登録日 2011-12-08 公開日 2012-02-22 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.333 Å) 主引用文献 Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding. J.Biol.Chem., 287, 2012
3V35	Aldose reductase complexed with a nitro compound 分子名称: 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate, Aldose reductase, DIMETHYLFORMAMIDE, ... 著者 Zheng, X, Zhang, L, Chen, Y, Luo, H, Hu, X. 登録日 2011-12-13 公開日 2012-08-29 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Partial inhibition of aldose reductase by nitazoxanide and its molecular basis. Chemmedchem, 7, 2012
4WEV	Crystal structure of human AKR1B10 complexed with NADP+ and sulindac 分子名称: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid 著者 Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Crespo, I, Porte, S, Pares, X, Farres, J, Podjarny, A. 登録日 2014-09-11 公開日 2015-01-14 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.453 Å) 主引用文献 Structural analysis of sulindac as an inhibitor of aldose reductase and AKR1B10. Chem.Biol.Interact., 234, 2015
3VXG	Crystal structure of conjugated polyketone reductase C2 from Candida Parapsilosis 分子名称: Conjugated polyketone reductase C2 著者 Qin, H.-M, Yamamura, A, Miyakawa, T, Maruoka, S, Ohtsuka, J, Nagata, K, Kataoka, M, Shimizu, S, Tanokura, M. 登録日 2012-09-13 公開日 2013-08-07 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure of conjugated polyketone reductase from Candida parapsilosis IFO 0708 reveals conformational changes for substrate recognition upon NADPH binding Appl.Microbiol.Biotechnol., 98, 2014
4WRH	AKR1C3 complexed with breakdown product of N-(tert-butyl)-2-(2-chloro-4-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-6-methoxyphenoxy)acetamide 分子名称: 1,2-ETHANEDIOL, 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide, 5-methyl-4H-1,2,4-triazole-3-thiol, ... 著者 Squire, C.J, Flanagan, J.U, Yosaatmadja, Y. 登録日 2014-10-24 公開日 2014-11-05 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Breakdown product of N-(tert-butyl)-2-(2-chloro-4-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-6-methoxyphenoxy)acetamide trapped in active site of AKR1C3 To Be Published
4XK2	Crystal structure of aldo-keto reductase from Polaromonas sp. JS666 分子名称: Aldo/keto reductase, CHLORIDE ION, SODIUM ION 著者 Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Sroka, P, Hillerich, B.S, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) 登録日 2015-01-09 公開日 2015-01-21 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of aldo-keto reductase from Polaromonas sp. JS666 to be published
4XAP	Crystal structure of aldo-keto reductase from Sinorhizobium meliloti 1021 分子名称: Aldo-keto reductase 著者 Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) 登録日 2014-12-15 公開日 2014-12-31 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Crystal structure of aldo-keto reductase from Sinorhizobium meliloti 1021 to be published
3WCZ	Crystal structure of Bombyx mori aldo-keto reductase (AKR2E4) in complex with NADP 分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase 2E, CITRIC ACID, ... 著者 Yamamoto, K, Wilson, D.K. 登録日 2013-06-05 公開日 2014-01-01 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Identification, characterization, and crystal structure of an aldo-keto reductase (AKR2E4) from the silkworm Bombyx mori. Arch.Biochem.Biophys., 538, 2013
4XO7	Crystal structure of human 3-alpha hydroxysteroid dehydrogenase type 3 in complex with NADP+, 5alpha-androstan-3,17-dione and (3beta, 5alpha)-3-hydroxyandrostan-17-one 分子名称: 4-ANDROSTENE-3-17-DIONE, Aldo-keto reductase family 1 member C2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Zhang, B, Hu, X.-J, Lin, S.-X. 登録日 2015-01-16 公開日 2016-02-17 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Human 3 alpha-hydroxysteroid dehydrogenase type 3: structural clues of 5 alpha-DHT reverse binding and enzyme down-regulation decreasing MCF7 cell growth. Biochem.J., 473, 2016
3WBX	Crystal structure of Gox0644 at apoform 分子名称: Putative 2,5-diketo-D-gluconic acid reductase, SULFATE ION 著者 Yuan, Y.A, Wang, C. 登録日 2013-05-22 公開日 2014-05-28 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structure of Gox0644 at apoform TO BE PUBLISHED
3WBY	Crystal structure of Gox0644 D53A mutant in complex with NADPH 分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative 2,5-diketo-D-gluconic acid reductase 著者 Yuan, Y.A, Wang, C. 登録日 2013-05-22 公開日 2014-05-28 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Crystal structure of Gox0644 D53A mutant in complex with NADPH To be Published
4XZH	Crystal structure of human Aldose Reductase complexed with NADP+ and JF0048 分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetic acid 著者 Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A. 登録日 2015-02-04 公開日 2015-11-18 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10. Chemmedchem, 10, 2015

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