PDB: 220 件ウェブページステータス検索Chemie searchBIRD

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7C7G	Crystal structures of AKR1C3 ternary complex with NADP+ and the chromene derivative 2j 分子名称: 2-azanylidene-N-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Irie, K, Toyooka, N, Endo, S. 登録日 2020-05-25 公開日 2020-09-23 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 Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer. J.Med.Chem., 63, 2020
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
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
4WDT	17beta-HSD5 in complex with 2-nitro-5-(phenylsulfonyl)phenol 分子名称: 2-nitro-5-(phenylsulfonyl)phenol, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Amano, Y, Yamaguchi, T. 登録日 2014-09-09 公開日 2015-04-15 最終更新日 2022-12-14 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding. Acta Crystallogr.,Sect.D, 71, 2015
7L7J	Cryo-EM structure of Hsp90:p23 closed-state complex 分子名称: Heat shock protein HSP 90-alpha, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Prostaglandin E synthase 3 著者 Lee, K, Thwin, A.C, Tse, E, Gates, S.N, Southworth, D.R. 登録日 2020-12-28 公開日 2021-08-25 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (3.1 Å) 主引用文献 The structure of an Hsp90-immunophilin complex reveals cochaperone recognition of the client maturation state. Mol.Cell, 81, 2021
7L7I	Cryo-EM structure of Hsp90:FKBP51:p23 closed-state complex 分子名称: Heat shock protein HSP 90-alpha, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Peptidyl-prolyl cis-trans isomerase FKBP5, ... 著者 Lee, K, Thwin, A.C, Tse, E, Gates, S.N, Southworth, D.R. 登録日 2020-12-28 公開日 2021-08-25 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 The structure of an Hsp90-immunophilin complex reveals cochaperone recognition of the client maturation state. Mol.Cell, 81, 2021
7KRJ	The GR-Maturation Complex: Glucocorticoid Receptor in complex with Hsp90 and co-chaperone p23 分子名称: ADENOSINE-5'-TRIPHOSPHATE, DEXAMETHASONE, Glucocorticoid receptor, ... 著者 Noddings, C.M, Wang, Y.-R, Agard, D.A. 登録日 2020-11-20 公開日 2022-01-12 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (2.56 Å) 主引用文献 Structure of Hsp90-p23-GR reveals the Hsp90 client-remodelling mechanism. Nature, 601, 2021
5WY9	Apo form crystal structure of human Lipocalin PGDS . 分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Prostaglandin-H2 D-isomerase 著者 Saif, M, Pervushin, K. 登録日 2017-01-11 公開日 2017-01-25 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 To be published To Be Published
2OVM	Progesterone Receptor with Bound Asoprisnil and a Peptide from the Co-Repressor NCoR 分子名称: 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME, NCoR, Progesterone receptor 著者 Madauss, K.P, Deng, S.-J, Short, S.A, Stewart, E.L, Williams, S.P. 登録日 2007-02-14 公開日 2007-03-20 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 A structural and in vitro characterization of asoprisnil: a selective progesterone receptor modulator. Mol.Endocrinol., 21, 2007
2PFG	Crystal structure of human CBR1 in complex with BiGF2. 分子名称: (5R,10S)-5-{[(CARBOXYMETHYL)AMINO]CARBONYL}-7-OXO-3-THIA-1,6-DIAZABICYCLO[4.4.1]UNDECANE-10-CARBOXYLIC ACID, CHLORIDE ION, Carbonyl reductase [NADPH] 1, ... 著者 Rauh, D, Bateman, R.L, Shokat, K.M. 登録日 2007-04-04 公開日 2007-09-25 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Glutathione traps formaldehyde by formation of a bicyclo[4.4.1]undecane adduct. Org.Biomol.Chem., 5, 2007
2OVH	Progesterone Receptor with Bound Asoprisnil and a Peptide from the Co-Repressor SMRT 分子名称: 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME, Progesterone receptor, SMRT peptide 著者 Madauss, K.P, Deng, S.-J, Short, S.A, Stewart, E.L, Williams, S.P. 登録日 2007-02-13 公開日 2007-03-20 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 A structural and in vitro characterization of asoprisnil: a selective progesterone receptor modulator. Mol.Endocrinol., 21, 2007
3IPB	Human Transthyretin (TTR) complexed with a palindromic bivalent amyloid inhibitor (11 carbon linker). 分子名称: 2,2'-{undecane-1,11-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid, Transthyretin 著者 Kolstoe, S.E, Wood, S.P, Pepys, M.B. 登録日 2009-08-17 公開日 2010-11-17 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Trapping of palindromic ligands within native transthyretin prevents amyloid formation. Proc.Natl.Acad.Sci.USA, 107, 2010
3IPE	Human Transthyretin (TTR) complexed with a palindromic bivalent amyloid inhibitor (7 carbon linker). 分子名称: 2,2'-{heptane-1,7-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid, Transthyretin 著者 Kolstoe, S.E, Wood, S.P, Pepys, M.B. 登録日 2009-08-17 公開日 2010-11-17 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Trapping of palindromic ligands within native transthyretin prevents amyloid formation. Proc.Natl.Acad.Sci.USA, 107, 2010
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
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
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
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
5HNT	Crystal Structure of AKR1C3 complexed with CAPE 分子名称: 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Li, C, Zhao, Y, Zhang, H, Hu, X. 登録日 2016-01-18 公開日 2017-03-15 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structure of AKR1C3 complexed with octyl gallate To Be Published
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
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
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
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
5HNU	Crystal Structure of AKR1C3 complexed with octyl gallate 分子名称: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, octyl 3,4,5-trihydroxybenzoate 著者 Li, C, Zhao, Y, Zhang, H, Hu, X. 登録日 2016-01-18 公開日 2017-01-25 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structure of AKR1C3 complexed with octyl gallte To Be Published
4IMO	Crystal structure of wild type human Lipocalin PGDS in complex with substrate analog U44069 分子名称: (5E)-7-{(1R,4S,5S,6R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}hept-5-enoic acid, Lipocalin-type prostaglandin-D synthase, THIOCYANATE ION 著者 Lim, S.M, Chen, D, Teo, H, Roos, A, Nyman, T, Tresaugues, L, Pervushin, K, Nordlund, P. 登録日 2013-01-03 公開日 2013-03-20 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Structural and dynamic insights into substrate binding and catalysis of human lipocalin prostaglandin D synthase. J.Lipid Res., 54, 2013

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