PDB: 479 件ウェブページステータス検索Chemie searchBIRD

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4FAL	Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-methylbenzamide (80) 分子名称: 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamide, Aldo-keto reductase family 1 member C3, ... 著者 Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A. 登録日 2012-05-22 公開日 2012-10-10 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3 J.Med.Chem., 55, 2012
4FA3	Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with (R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid (86) 分子名称: (3R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, ACETATE ION, ... 著者 Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A. 登録日 2012-05-21 公開日 2012-10-10 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3 J.Med.Chem., 55, 2012
3V36	Aldose reductase complexed with glceraldehyde 分子名称: Aldose reductase, D-Glyceraldehyde, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 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 (2 Å) 主引用文献 Partial inhibition of aldose reductase by nitazoxanide and its molecular basis. Chemmedchem, 7, 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
4GIE	Crystal structure of prostaglandin F synthase from Trypanosoma cruzi bound to NADP 分子名称: ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin F synthase 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2012-08-08 公開日 2012-08-15 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Structures of prostaglandin F synthase from the protozoa Leishmania major and Trypanosoma cruzi with NADP. Acta Crystallogr F Struct Biol Commun, 71, 2015
3UG8	AKR1C3 complex with indomethacin at pH 7.5 分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, INDOMETHACIN, ... 著者 Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M, Squire, C.J. 登録日 2011-11-02 公開日 2012-08-15 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.73 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
3UGR	AKR1C3 complex with indomethacin at pH 6.8 分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, DIMETHYL SULFOXIDE, ... 著者 Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M, Squire, C.J. 登録日 2011-11-02 公開日 2012-08-15 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.65 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
3UFY	AKR1C3 complex with R-naproxen 分子名称: (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ... 著者 Squire, C.J, Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M. 登録日 2011-11-01 公開日 2012-08-15 最終更新日 2023-11-01 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
4G5D	X-ray crystal structure of Prostaglandin f synthase from Leishmania major Friedlin bound to NADPH 分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2012-07-17 公開日 2012-08-15 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structures of prostaglandin F synthase from the protozoa Leishmania major and Trypanosoma cruzi with NADP. Acta Crystallogr F Struct Biol Commun, 71, 2015
4FZI	Crystal structure of prostaglandin F synthase from Trypanosoma cruzi 分子名称: GLUTAMIC ACID, Prostaglandin F synthase, SULFATE ION 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2012-07-06 公開日 2012-07-18 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structures of prostaglandin F synthase from the protozoa Leishmania major and Trypanosoma cruzi with NADP. Acta Crystallogr F Struct Biol Commun, 71, 2015
4F40	X-ray crystal structure of Apo prostaglandin f synthase from Leishmania major Friedlin 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2012-05-09 公開日 2012-06-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structures of prostaglandin F synthase from the protozoa Leishmania major and Trypanosoma cruzi with NADP. Acta Crystallogr F Struct Biol Commun, 71, 2015
4AUB	the complex Structure of the bacterial aldo-keto reductase AKR14A1 with NADP and citrate 分子名称: ALDO-KETO REDUCTASE AKR14A1, CITRATE ANION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Zhu, X, Ellis, E.M, Lapthorn, A. 登録日 2012-05-16 公開日 2012-06-06 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 The Diversity of Microbial Aldo/Keto Reductases from Escherichia Coli K12. Chem.Biol.Interact, 202, 2013
4AST	The apo structure of a bacterial aldo-keto reductase AKR14A1 分子名称: ALDO-KETO REDUCTASE AKR14A1 著者 Zhu, X, Ellis, E.M, Lapthorn, A. 登録日 2012-05-03 公開日 2012-05-16 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.38 Å) 主引用文献 The Diversity of Microbial Aldo/Keto Reductases from Escherichia Coli K12. Chem.Biol.Interact, 202, 2013
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
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
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
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
3R94	AKR1C3 complex with flurbiprofen 分子名称: (2R)-2-(3-fluoro-4-phenyl-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 (2.013 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
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
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
4DBS	Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3'-[(4-nitronaphthalen-1-yl)amino]benzoic acid 分子名称: 3-[(4-nitronaphthalen-1-yl)amino]benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M. 登録日 2012-01-16 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.852 Å) 主引用文献 Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer. Bioorg.Med.Chem.Lett., 22, 2012
4DBU	Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3-((4 -(trifluoromethyl)phenyl)amino)benzoic acid 分子名称: 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M. 登録日 2012-01-16 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.528 Å) 主引用文献 Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer. Bioorg.Med.Chem.Lett., 22, 2012
3R58	AKR1C3 complex with naproxen 分子名称: (2S)-2-(6-methoxynaphthalen-2-yl)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 2011-03-18 公開日 2012-03-28 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.3 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
3R43	AKR1C3 complexed with mefenamic acid 分子名称: 1,2-ETHANEDIOL, 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, Aldo-keto reductase family 1 member C3, ... 著者 Squire, C.J, Teague, R.M, Yosaatmadja, L. 登録日 2011-03-17 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2 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
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

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