4K26
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![BU of 4k26 by Molmil](/molmil-images/mine/4k26) | 4,4-Dioxo-5,6-dihydro-[1,4,3]oxathiazines, a novel class of 11 -HSD1 inhibitors for the treatment of diabetes | Descriptor: | (4aS,8aR)-N-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Loenze, P, Schimanski-Breves, S, Vonderheyden, C, Engel, C.K. | Deposit date: | 2013-04-08 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | 1,1-Dioxo-5,6-dihydro-[4,1,2]oxathiazines, a novel class of 11-HSD1 inhibitors for the treatment of diabetes. Bioorg.Med.Chem.Lett., 23, 2013
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3HB4
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![BU of 3hb4 by Molmil](/molmil-images/mine/3hb4) | 17beta-hydroxysteroid dehydrogenase type1 complexed with E2B | Descriptor: | 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide, Estradiol 17-beta-dehydrogenase 1 | Authors: | Mazumdar, M, Fournier, D, Zhu, D.-W, Cadot, C, Poirier, D, Lin, S.-X. | Deposit date: | 2009-05-04 | Release date: | 2009-12-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Binary and ternary crystal structure analyses of a novel inhibitor with 17beta-HSD type 1: a lead compound for breast cancer therapy. Biochem.J., 424, 2009
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2Y93
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![BU of 2y93 by Molmil](/molmil-images/mine/2y93) | Crystal Structure of cis-Biphenyl-2,3-dihydrodiol-2,3-dehydrogenase (BphB)from Pandoraea pnomenusa strain B-356. | Descriptor: | CIS-2,3-DIHYDROBIPHENYL-2,3-DIOL DEHYDROGENASE | Authors: | Dhindwal, S, Patil, D.N, Kumar, P. | Deposit date: | 2011-02-11 | Release date: | 2011-08-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Biochemical Studies and Ligand-Bound Structures of Biphenyl Dehydrogenase from Pandoraea Pnomenusa Strain B-356 Reveal a Basis for Broad Specificity of the Enzyme. J.Biol.Chem., 286, 2011
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2ET6
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![BU of 2et6 by Molmil](/molmil-images/mine/2et6) | |
8G89
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![BU of 8g89 by Molmil](/molmil-images/mine/8g89) | HSD17B13 in complex with cofactor and inhibitor | Descriptor: | 3-fluoro-N-({(1r,4r)-4-[(2-fluorophenoxy)methyl]-1-hydroxycyclohexyl}methyl)-4-hydroxybenzamide, Hydroxysteroid 17-beta dehydrogenase 13, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Liu, S. | Deposit date: | 2023-02-17 | Release date: | 2023-08-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.222 Å) | Cite: | Structural basis of lipid-droplet localization of 17-beta-hydroxysteroid dehydrogenase 13. Nat Commun, 14, 2023
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5L53
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![BU of 5l53 by Molmil](/molmil-images/mine/5l53) | Menthone neomenthol reductase from Mentha piperita in complex with NADP | Descriptor: | (-)-menthone:(+)-neomenthol reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. | Deposit date: | 2016-05-27 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Pinpointing a Mechanistic Switch Between Ketoreduction and "Ene" Reduction in Short-Chain Dehydrogenases/Reductases. Angew.Chem.Int.Ed.Engl., 55, 2016
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1DHT
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![BU of 1dht by Molmil](/molmil-images/mine/1dht) | ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE COMPLEXED DIHYDROTESTOSTERONE | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE | Authors: | Han, Q, Campbell, R.L, Gangloff, A, Lin, S.X. | Deposit date: | 1998-03-25 | Release date: | 1999-09-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Dehydroepiandrosterone and dihydrotestosterone recognition by human estrogenic 17beta-hydroxysteroid dehydrogenase. C-18/c-19 steroid discrimination and enzyme-induced strain. J.Biol.Chem., 275, 2000
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3BZU
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![BU of 3bzu by Molmil](/molmil-images/mine/3bzu) | Crystal structure of human 11-beta-hydroxysteroid dehydrogenase(HSD1) in complex with NADP and thiazolone inhibitor | Descriptor: | (5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Min, X, Sudom, A, Xu, H, Wang, Z, Walker, N.P. | Deposit date: | 2008-01-18 | Release date: | 2008-06-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural characterization and pharmacodynamic effects of an orally active 11beta-hydroxysteroid dehydrogenase type 1 inhibitor. Chem.Biol.Drug Des., 71, 2008
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3KVO
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![BU of 3kvo by Molmil](/molmil-images/mine/3kvo) | Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2) | Descriptor: | Hydroxysteroid dehydrogenase-like protein 2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Ugochukwu, E, Bhatia, C, Huang, J, Pilka, E, Muniz, J.R.C, Pike, A.C.W, Krojer, T, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Verdin, E.M, Oppermann, U, Kavanagh, K.L, Structural Genomics Consortium (SGC) | Deposit date: | 2009-11-30 | Release date: | 2010-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2) To be Published
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3EZL
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![BU of 3ezl by Molmil](/molmil-images/mine/3ezl) | |
7X3Z
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![BU of 7x3z by Molmil](/molmil-images/mine/7x3z) | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 1 complexed with estrone and NAD | Descriptor: | (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, 17-beta-hydroxysteroid dehydrogenase type 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Li, T, Lin, S.X, Yin, H. | Deposit date: | 2022-03-01 | Release date: | 2023-01-25 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | New insights into the substrate inhibition of human 17 beta-hydroxysteroid dehydrogenase type 1. J.Steroid Biochem.Mol.Biol., 228, 2023
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4HBG
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![BU of 4hbg by Molmil](/molmil-images/mine/4hbg) | |
3BHI
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![BU of 3bhi by Molmil](/molmil-images/mine/3bhi) | |
5YSS
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![BU of 5yss by Molmil](/molmil-images/mine/5yss) | |
3GMD
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![BU of 3gmd by Molmil](/molmil-images/mine/3gmd) | Structure-based design of 7-Azaindole-pyrrolidines as inhibitors of 11beta-Hydroxysteroid-Dehydrogenase type I | Descriptor: | 2-methyl-3-{(3S)-1-[(1-pyridin-2-ylcyclopropyl)carbonyl]pyrrolidin-3-yl}-1H-pyrrolo[2,3-b]pyridine, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Valeur, E, Lepifre, F, Roche, D, Christmann-Franck, S, Hillertz, P, Musil, D. | Deposit date: | 2009-03-13 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structure-based design of 7-azaindole-pyrrolidine amides as inhibitors of 11 beta-hydroxysteroid dehydrogenase type I. Bioorg.Med.Chem.Lett., 22, 2012
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3CSD
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![BU of 3csd by Molmil](/molmil-images/mine/3csd) | |
3RI3
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![BU of 3ri3 by Molmil](/molmil-images/mine/3ri3) | |
2RH4
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![BU of 2rh4 by Molmil](/molmil-images/mine/2rh4) | Actinorhodin ketoreductase, actKR, with NADPH and Inhibitor Emodin | Descriptor: | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, Actinorhodin Polyketide Ketoreductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Korman, T.P, Tsai, S.-C. | Deposit date: | 2007-10-05 | Release date: | 2008-08-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Inhibition kinetics and emodin cocrystal structure of a type II polyketide ketoreductase Biochemistry, 47, 2008
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3PDJ
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![BU of 3pdj by Molmil](/molmil-images/mine/3pdj) | Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with 4,4-Disubstituted Cyclohexylbenzamide Inhibitor | Descriptor: | Corticosteroid 11-beta-dehydrogenase isozyme 1, N-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Wang, Z, Sudom, A, Walker, N.P. | Deposit date: | 2010-10-22 | Release date: | 2011-10-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Synthesis and Optimization of Novel 4,4-Disubstituted Cyclohexylbenzamide Derivatives as Potent 11beta-HSD1 Inhibitors Bioorg.Med.Chem.Lett., 21, 2011
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3DHE
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![BU of 3dhe by Molmil](/molmil-images/mine/3dhe) | ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE COMPLEXED DEHYDROEPIANDROSTERONE | Descriptor: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE | Authors: | Han, Q, Campbell, R.L, Gangloff, A, Lin, S.X. | Deposit date: | 1998-03-25 | Release date: | 1999-09-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Dehydroepiandrosterone and dihydrotestosterone recognition by human estrogenic 17beta-hydroxysteroid dehydrogenase. C-18/c-19 steroid discrimination and enzyme-induced strain. J.Biol.Chem., 275, 2000
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3L6E
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![BU of 3l6e by Molmil](/molmil-images/mine/3l6e) | Crystal structure of putative short chain dehydrogenase/reductase family oxidoreductase from Aeromonas hydrophila subsp. hydrophila ATCC 7966 | Descriptor: | Oxidoreductase, short-chain dehydrogenase/reductase family, SULFATE ION | Authors: | Malashkevich, V.N, Patskovsky, Y, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-12-23 | Release date: | 2010-02-09 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of putative short chain dehydrogenase/reductase family oxidoreductase from Aeromonas
hydrophila subsp. hydrophila ATCC 7966 To be Published
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3LF2
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![BU of 3lf2 by Molmil](/molmil-images/mine/3lf2) | NADPH Bound Structure of the Short Chain Oxidoreductase Q9HYA2 from Pseudomonas aeruginosa PAO1 Containing an Atypical Catalytic Center | Descriptor: | CHLORIDE ION, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Huether, R, Umland, T.C, Duax, W.L. | Deposit date: | 2010-01-15 | Release date: | 2010-04-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The short-chain oxidoreductase Q9HYA2 from Pseudomonas aeruginosa PAO1 contains an atypical catalytic center. Protein Sci., 19, 2010
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1X7G
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![BU of 1x7g by Molmil](/molmil-images/mine/1x7g) | Actinorhodin Polyketide Ketoreductase, act KR, with NADP bound | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative ketoacyl reductase | Authors: | Korman, T.P, Hill, J.A, Vu, T.N. | Deposit date: | 2004-08-13 | Release date: | 2004-12-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural analysis of actinorhodin polyketide ketoreductase: cofactor binding and substrate specificity Biochemistry, 43, 2004
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1X7H
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![BU of 1x7h by Molmil](/molmil-images/mine/1x7h) | Actinorhodin Polyketide Ketoreductase, with NADPH bound | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative ketoacyl reductase | Authors: | Korman, T.P, Hill, J.A, Vu, T.N. | Deposit date: | 2004-08-13 | Release date: | 2004-12-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural analysis of actinorhodin polyketide ketoreductase: cofactor binding and substrate specificity Biochemistry, 43, 2004
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1N5D
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![BU of 1n5d by Molmil](/molmil-images/mine/1n5d) | |