3UG8
 
 | | AKR1C3 complex with indomethacin at pH 7.5 | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, INDOMETHACIN, ... | | Authors: | Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M, Squire, C.J. | | Deposit date: | 2011-11-02 | | Release date: | 2012-08-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | 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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3UGR
 | | AKR1C3 complex with indomethacin at pH 6.8 | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, DIMETHYL SULFOXIDE, ... | | Authors: | Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M, Squire, C.J. | | Deposit date: | 2011-11-02 | | Release date: | 2012-08-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | 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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1WNH
 | | Crystal structure of mouse Latexin (tissue carboxypeptidase inhibitor) | | Descriptor: | Latexin | | Authors: | Aagaard, A, Listwan, P, Cowieson, N, Huber, T, Ravasi, T, Wells, C.A, Flanagan, J.U, Hume, D.A, Kobe, B, Martin, J.L. | | Deposit date: | 2004-08-04 | | Release date: | 2005-02-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | An Inflammatory Role for the Mammalian Carboxypeptidase Inhibitor Latexin: Relationship to Cystatins and the Tumor Suppressor TIG1
Structure, 13, 2005
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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) | | Descriptor: | 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid, Aldo-keto reductase family 1 member C3, ... | | Authors: | 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. | | Deposit date: | 2012-05-22 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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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4FAL
 | | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-methylbenzamide (80) | | Descriptor: | 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamide, Aldo-keto reductase family 1 member C3, ... | | Authors: | 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. | | Deposit date: | 2012-05-22 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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) | | Descriptor: | (3R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | 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. | | Deposit date: | 2012-05-21 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 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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1TYF
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3LJR
 | | GLUTATHIONE TRANSFERASE (THETA CLASS) FROM HUMAN IN COMPLEX WITH THE GLUTATHIONE CONJUGATE OF 1-MENAPHTHYL SULFATE | | Descriptor: | 1-MENAPHTHYL GLUTATHIONE CONJUGATE, GLUTATHIONE S-TRANSFERASE, SULFATE ION | | Authors: | Rossjohn, J, Mckinstry, W.J, Oakley, A.J, Verger, D, Flanagan, J, Chelvanayagam, G, Tan, K.L, Board, P.G, Parker, M.W. | | Deposit date: | 1998-03-08 | | Release date: | 1999-03-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Human theta class glutathione transferase: the crystal structure reveals a sulfate-binding pocket within a buried active site.
Structure, 6, 1998
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4WRG
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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 | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide, 5-methyl-4H-1,2,4-triazole-3-thiol, ... | | Authors: | Squire, C.J, Flanagan, J.U, Yosaatmadja, Y. | | Deposit date: | 2014-10-24 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 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
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2LJR
 | | GLUTATHIONE TRANSFERASE APO-FORM FROM HUMAN | | Descriptor: | GLUTATHIONE S-TRANSFERASE | | Authors: | Rossjohn, J, Mckinstry, W.J, Oakley, A.J, Verger, D, Flanagan, J, Chelvanayagam, G, Tan, K.L, Board, P.G, Parker, M.W. | | Deposit date: | 1998-03-08 | | Release date: | 1999-03-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Human theta class glutathione transferase: the crystal structure reveals a sulfate-binding pocket within a buried active site.
Structure, 6, 1998
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1BQZ
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1BQ0
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1YG6
 | | ClpP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit | | Authors: | Bewley, M.C, Graziano, V, Griffin, K, Flanagan, J.M. | | Deposit date: | 2005-01-04 | | Release date: | 2006-04-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The asymmetry in the mature amino-terminus of ClpP facilitates a local symmetry match in ClpAP and ClpXP complexes.
J.Struct.Biol., 153, 2006
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1P69
 | | STRUCTURAL BASIS FOR VARIATION IN ADENOVIRUS AFFINITY FOR THE CELLULAR RECEPTOR CAR (P417S MUTANT) | | Descriptor: | Coxsackievirus and adenovirus receptor, Fiber protein | | Authors: | Howitt, J, Bewley, M.C, Graziano, V, Flanagan, J.M, Freimuth, P. | | Deposit date: | 2003-04-29 | | Release date: | 2004-05-11 | | Last modified: | 2018-08-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis for variation in adenovirus affinity for the cellular coxsackievirus and adenovirus receptor.
J.Biol.Chem., 278, 2003
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1YG8
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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) | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | 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. | | Deposit date: | 2012-10-18 | | Release date: | 2013-11-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 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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4DZ5
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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 | | Descriptor: | 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 | | Authors: | 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. | | Deposit date: | 2012-09-20 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | 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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1P6A
 | | STRUCTURAL BASIS FOR VARIATION IN ADENOVIRUS AFFINITY FOR THE CELLULAR RECEPTOR CAR (S489Y MUTANT) | | Descriptor: | Coxsackievirus and adenovirus receptor, Fiber protein | | Authors: | Howitt, J, Bewley, M.C, Graziano, V, Flanagan, J.M, Freimuth, P. | | Deposit date: | 2003-04-29 | | Release date: | 2004-05-11 | | Last modified: | 2018-08-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for variation in adenovirus affinity for the cellular coxsackievirus and adenovirus receptor.
J.Biol.Chem., 278, 2003
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4ZAU
 | | AZD9291 complex with wild type EGFR | | Descriptor: | Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide | | Authors: | Squire, C.J, Yosaatmadja, Y, Flanagan, J.U, McKeage, M. | | Deposit date: | 2015-04-14 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Binding mode of the breakthrough inhibitor AZD9291 to epidermal growth factor receptor revealed.
J.Struct.Biol., 192, 2015
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1LJR
 | | GLUTATHIONE TRANSFERASE (HGST T2-2) FROM HUMAN | | Descriptor: | GLUTATHIONE, GLUTATHIONE S-TRANSFERASE | | Authors: | Rossjohn, J, Mckinstry, W.J, Oakley, A.J, Verger, D, Flanagan, J, Chelvanayagam, G, Tan, K.L, Board, P.G, Parker, M.W. | | Deposit date: | 1998-03-08 | | Release date: | 1999-03-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Human theta class glutathione transferase: the crystal structure reveals a sulfate-binding pocket within a buried active site.
Structure, 6, 1998
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3G7C
 | | Structure of the Phosphorylation Mimetic of Occludin C-term Tail | | Descriptor: | Occludin | | Authors: | Tash, B.R, Sundstrom, J.M, Murakami, T, Flanagan, J.M, Bewley, M.C, Antonetii, D.A. | | Deposit date: | 2009-02-09 | | Release date: | 2009-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification and analysis of occludin phosphosites: a combined mass spectrometry and bioinformatics approach.
J.PROTEOME RES., 8, 2009
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3UWE
 | | AKR1C3 complexed with 3-phenoxybenzoic acid | | Descriptor: | 1,2-ETHANEDIOL, 3-phenoxybenzoic acid, Aldo-keto reductase family 1 member C3, ... | | Authors: | Jackson, V.J, Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | | Deposit date: | 2011-12-01 | | Release date: | 2012-04-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structure of AKR1C3 with 3-phenoxybenzoic acid bound
Acta Crystallogr.,Sect.F, 68, 2012
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3UFY
 | | AKR1C3 complex with R-naproxen | | Descriptor: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ... | | Authors: | Squire, C.J, Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M. | | Deposit date: | 2011-11-01 | | Release date: | 2012-08-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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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