2YD3
| Crystal structure of the N-terminal Ig1-2 module of Human Receptor Protein Tyrosine Phosphatase Sigma | 分子名称: | CHLORIDE ION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE S, SODIUM ION | 著者 | Coles, C.H, Shen, Y, Tenney, A.P, Siebold, C, Sutton, G.C, Lu, W, Gallagher, J.T, Jones, E.Y, Flanagan, J.G, Aricescu, A.R. | 登録日 | 2011-03-17 | 公開日 | 2011-04-13 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Proteoglycan-Specific Molecular Switch for Rptp Sigma Clustering and Neuronal Extension. Science, 332, 2011
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2YD6
| Crystal structure of the N-terminal Ig1-2 module of Human Receptor Protein Tyrosine Phosphatase Delta | 分子名称: | CHLORIDE ION, CITRATE ANION, PTPRD PROTEIN | 著者 | Coles, C.H, Shen, Y, Tenney, A.P, Siebold, C, Sutton, G.C, Lu, W, Gallagher, J.T, Jones, E.Y, Flanagan, J.G, Aricescu, A.R. | 登録日 | 2011-03-17 | 公開日 | 2011-04-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Proteoglycan-Specific Molecular Switch for Rptp Sigma Clustering and Neuronal Extension. Science, 332, 2011
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2YD2
| Crystal structure of the N-terminal Ig1-2 module of Human Receptor Protein Tyrosine Phosphatase Sigma | 分子名称: | CHLORIDE ION, IODIDE ION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE S | 著者 | Coles, C.H, Shen, Y, Tenney, A.P, Siebold, C, Sutton, G.C, Lu, W, Gallagher, J.T, Jones, E.Y, Flanagan, J.G, Aricescu, A.R. | 登録日 | 2011-03-17 | 公開日 | 2011-04-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.552 Å) | 主引用文献 | Proteoglycan-Specific Molecular Switch for Rptp Sigma Clustering and Neuronal Extension. Science, 332, 2011
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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
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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
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4FAM
| Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid (17) | 分子名称: | 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid, 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
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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
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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
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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
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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
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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
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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
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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
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4JQA
| AKR1C2 complex with mefenamic acid | 分子名称: | 1,2-ETHANEDIOL, 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, Aldo-keto reductase family 1 member C2, ... | 著者 | Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | 登録日 | 2013-03-20 | 公開日 | 2014-04-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structural basis of NSAID selectivity for the aldo-keto reductase 1C family To be Published
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4JTQ
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4JQ4
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4JQ2
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4JTR
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4JQ1
| AKR1C2 complex with naproxen | 分子名称: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, ... | 著者 | Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | 登録日 | 2013-03-19 | 公開日 | 2014-04-02 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural basis of NSAID selectivity for the aldo-keto reductase 1C family To be Published
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4JQ3
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2B58
| SSAT with coa_sp, spermine disordered, K26R mutant | 分子名称: | COENZYME A, Diamine acetyltransferase 1 | 著者 | Bewley, M.C, Graziano, V, Jiang, J.S, Matz, E, Studier, F.W, Pegg, A.P, Coleman, C.S, Flanagan, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2005-09-27 | 公開日 | 2006-01-24 | 最終更新日 | 2021-02-03 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structures of wild-type and mutant human spermidine/spermine N1-acetyltransferase, a potential therapeutic drug target Proc.Natl.Acad.Sci.Usa, 103, 2006
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2B4B
| SSAT+COA+BE-3-3-3, K26R mutant | 分子名称: | COENZYME A, Diamine acetyltransferase 1, N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-1,3-DIAMINE | 著者 | Bewley, M.C, Graziano, V, Jiang, J.S, Matz, E, Studier, F.W, Pegg, A.P, Coleman, C.S, Flanagan, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2005-09-23 | 公開日 | 2006-01-17 | 最終更新日 | 2023-05-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structures of wild-type and mutant human spermidine/spermine N1-acetyltransferase, a potential therapeutic drug target Proc.Natl.Acad.Sci.Usa, 103, 2006
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2B4D
| SSAT+COA+SP- SP disordered | 分子名称: | COENZYME A, Diamine acetyltransferase 1 | 著者 | Bewley, M.C, Graziano, V, Jiang, J.S, Matz, E, Studier, F.W, Pegg, A.P, Coleman, C.S, Flanagan, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2005-09-23 | 公開日 | 2006-01-17 | 最終更新日 | 2021-02-03 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structures of wild-type and mutant human spermidine/spermine N1-acetyltransferase, a potential therapeutic drug target Proc.Natl.Acad.Sci.Usa, 103, 2006
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4HMN
| Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with (4-(4-Chlorophenyl)piperazin-1-yl)(morpholino)methanone (24) | 分子名称: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Turnbull, A.P, Flanagan, J.U, Atwell, G.J, Heinrich, D.M, Jamieson, S.M.F, Brooke, D.G, Silva, S, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Denny, W.A. | 登録日 | 2012-10-18 | 公開日 | 2013-11-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Morpholylureas are a new class of potent and selective inhibitors of the type 5 17-beta-hydroxysteroid dehydrogenase (AKR1C3). Bioorg.Med.Chem., 22, 2014
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4H7C
| Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 1-{4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl}-2-pyrrolidinone | 分子名称: | 1-(4-{[(2R)-2-methylpiperidin-1-yl]sulfonyl}phenyl)-1,3-dihydro-2H-pyrrol-2-one, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Turnbull, A.P, Heinrich, D, Jamieson, S.M.F, Flanagan, J.U, Silva, S, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Denny, W.A. | 登録日 | 2012-09-20 | 公開日 | 2013-03-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Synthesis and structure-activity relationships for 1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-ones as novel non-carboxylate inhibitors of the aldo-keto reductase enzyme AKR1C3. Eur.J.Med.Chem., 62C, 2013
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