6A7B
| AKR1C3 complexed with new inhibitor with novel scaffold | 分子名称: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C3, DIMETHYLFORMAMIDE, ... | 著者 | Zheng, X, Zhao, Y, Zhang, H, Chen, Y. | 登録日 | 2018-07-02 | 公開日 | 2019-07-03 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors. Bioorg.Med.Chem., 26, 2018
|
|
5SZW
| NMR solution structure of the RRM1 domain of the post-transcriptional regulator HuR | 分子名称: | ELAV-like protein 1 | 著者 | Lixa, C, Mujo, A, Jendiroba, K.A, Almeida, F.C.L, Lima, L.M.T.R, Pinheiro, A.S. | 登録日 | 2016-08-15 | 公開日 | 2017-09-06 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Oligomeric transition and dynamics of RNA binding by the HuR RRM1 domain in solution. J. Biomol. NMR, 72, 2018
|
|
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
|
|
4WDU
| 17beta-HSD5 in complex with 4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide | 分子名称: | 4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide, 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 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.7 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
|
|
4WDX
| |
6VCJ
| Crystal structure of hsDHFR in complex with NADP+, DAP, and R-naproxen | 分子名称: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, Dihydrofolate reductase, FOLIC ACID, ... | 著者 | Pedersen, L.C, London, R.E, Gabel, S.A, Krahn, J.M, DeRose, E.F. | 登録日 | 2019-12-21 | 公開日 | 2020-10-28 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | The Structural Basis for Nonsteroidal Anti-Inflammatory Drug Inhibition of Human Dihydrofolate Reductase. J.Med.Chem., 63, 2020
|
|
6F78
| Potent and selective Aldo-Keto Reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: Application of a Bioisosteric Scaffold Hopping Approach to Flufenamic acid | 分子名称: | 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one, Aldo-keto reductase family 1 member C3, CHLORIDE ION, ... | 著者 | Goyal, P, Wahlgren, W.Y, Friemann, R. | 登録日 | 2017-12-07 | 公開日 | 2018-04-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid. Eur J Med Chem, 150, 2018
|
|
6F2U
| Potent and selective Aldo-Keto Reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a Bioisosteric Scaffold Hopping Approach to Flufenamic acid | 分子名称: | 3-[(4-methoxyphenyl)methyl]-5-oxidanyl-~{N}-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Goyal, P, Wahlgren, W.Y, Friemann, R. | 登録日 | 2017-11-27 | 公開日 | 2018-04-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid. Eur J Med Chem, 150, 2018
|
|
1ZQ5
| Crystal structure of human androgenic 17beta-hydroxysteroid dehydrogenase type 5 in complexed with a potent inhibitor EM1404 | 分子名称: | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN, ACETATE ION, Aldo-keto reductase family 1 member C3, ... | 著者 | Qiu, W, Zhou, M, Ghanmi, D, Luu-The, V, Labrie, F, Lin, S.X. | 登録日 | 2005-05-18 | 公開日 | 2006-12-12 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structure-based inhibitor design for an enzyme that binds different steroids: a potent inhibitor for human type 5 17beta-hydroxysteroid dehydrogenase. J.Biol.Chem., 282, 2007
|
|
8HTA
| |
8BBS
| Structure of AKR1C3 in complex with a bile acid fused tetrazole inhibitor | 分子名称: | (4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Petri, E.T, Skerlova, J, Marinovic, M, Brynda, J, Kugler, M, Skoric, D, Bekic, S, Celic, A.S, Rezacova, P. | 登録日 | 2022-10-14 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | X-ray structure of human aldo-keto reductase 1C3 in complex with a bile acid fused tetrazole inhibitor: experimental validation, molecular docking and structural analysis. Rsc Med Chem, 14, 2023
|
|
2GDZ
| Crystal structure of 15-hydroxyprostaglandin dehydrogenase type1, complexed with NAD+ | 分子名称: | NAD+-dependent 15-hydroxyprostaglandin dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Pilka, E.S, Guo, K, Kavanagh, K, Von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | 登録日 | 2006-03-17 | 公開日 | 2006-04-04 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | High-Affinity Inhibitors of Human NAD-Dependent 15-Hydroxyprostaglandin Dehydrogenase: Mechanisms of Inhibition and Structure-Activity Relationships. Plos One, 5, 2010
|
|
1XF0
| Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) complexed with delta4-androstene-3,17-dione and NADP | 分子名称: | 4-ANDROSTENE-3-17-DIONE, ACETATE ION, Aldo-keto reductase family 1 member C3, ... | 著者 | Qiu, W, Zhou, M, Labrie, F, Lin, S.-X. | 登録日 | 2004-09-13 | 公開日 | 2004-10-26 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structures of the multispecific 17beta-hydroxysteroid dehydrogenase type 5: critical androgen regulation in human peripheral tissues Mol.Endocrinol., 18, 2004
|
|
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
|
|
2IAG
| Crystal structure of human prostacyclin synthase | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, Prostacyclin synthase, SODIUM ION | 著者 | Chiang, C.-W, Yeh, H.-C, Wang, L.-H, Chan, N.-L. | 登録日 | 2006-09-08 | 公開日 | 2006-10-10 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Crystal Structure of the Human Prostacyclin Synthase J.Mol.Biol., 364, 2006
|
|
4WDW
| 17beta-HSD5 in complex with 3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone | 分子名称: | 3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone, 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 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.94 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
|
|
7C7H
| |
4XTA
| |
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
|
|
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
|
|
4XVD
| 17beta-HSD5 in complex with 4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol | 分子名称: | 4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Amano, Y, Yamaguchi, T, Niimi, T, Sakashita, H. | 登録日 | 2015-01-27 | 公開日 | 2015-04-15 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.81 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
|
|
4XVE
| |
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
|
|
7C7F
| Crystal structures of AKR1C3 binary complex with NADP+ | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase family 1 member C3, ... | 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 (1.7 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
|
|