3VZS
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![BU of 3vzs by Molmil](/molmil-images/mine/3vzs) | Crystal structure of PhaB from Ralstonia eutropha in complex with Acetoacetyl-CoA and NADP | Descriptor: | ACETOACETYL-COENZYME A, Acetoacetyl-CoA reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Ikeda, K, Tanaka, Y, Tanaka, I, Yao, M. | Deposit date: | 2012-10-15 | Release date: | 2013-08-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Directed evolution and structural analysis of NADPH-dependent Acetoacetyl Coenzyme A (Acetoacetyl-CoA) reductase from Ralstonia eutropha reveals two mutations responsible for enhanced kinetics Appl.Environ.Microbiol., 79, 2013
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4HFR
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![BU of 4hfr by Molmil](/molmil-images/mine/4hfr) | Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with an orally bioavailable acidic inhibitor AZD4017. | Descriptor: | Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {(3S)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid | Authors: | Ogg, D.J, Gerhardt, S, Hargreaves, D. | Deposit date: | 2012-10-05 | Release date: | 2012-10-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Discovery of a Potent, Selective, and Orally Bioavailable Acidic 11 -Hydroxysteroid Dehydrogenase Type 1 (11 -HSD1) Inhibitor: Discovery of 2-[(3S)-1-[5-(Cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic Acid (AZD4017) J.Med.Chem., 55, 2012
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4HBG
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![BU of 4hbg by Molmil](/molmil-images/mine/4hbg) | |
4BB5
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![BU of 4bb5 by Molmil](/molmil-images/mine/4bb5) | Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors | Descriptor: | 4-cyclopentyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Goldberg, F.W, Leach, A.G, Scott, J.S, Snelson, W.L, Groombridge, S.D, Donald, C.S, Bennett, S.N.L, Bodin, C, Morentin Gutierrez, P, Gyte, A.C. | Deposit date: | 2012-09-20 | Release date: | 2012-11-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Free-Wilson and Structural Approaches to Co-Optimising Human and Rodent Isoform Potency for 11Beta-Hydroxysteroid Dehydrogenase Type 1 (11Beta-Hsd1) Inhibitors J.Med.Chem., 55, 2012
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4BB6
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![BU of 4bb6 by Molmil](/molmil-images/mine/4bb6) | Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors | Descriptor: | 6-(4-methylpiperazin-1-yl)-N-[(1R,3S)-5-oxidanyl-2-adamantyl]-2-propylsulfanyl-pyridine-3-carboxamide, CHLORIDE ION, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, ... | Authors: | Goldberg, F.W, Leach, A.G, Scott, J.S, Snelson, W.L, Groombridge, S.D, Donald, C.S, Bennett, S.N.L, Bodin, C, Morentin Gutierrez, P, Gyte, A.C. | Deposit date: | 2012-09-20 | Release date: | 2012-11-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Free-Wilson and Structural Approaches to Co- Optimising Human and Rodent Isoform Potency for 11Beta-Hydroxysteroid Dehydrogenase Type 1 (11Beta-Hsd1) Inhibitors J.Med.Chem., 55, 2012
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4FDA
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![BU of 4fda by Molmil](/molmil-images/mine/4fda) | |
4FD3
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![BU of 4fd3 by Molmil](/molmil-images/mine/4fd3) | |
4DYV
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![BU of 4dyv by Molmil](/molmil-images/mine/4dyv) | Crystal structure of a short-chain dehydrogenase/reductase SDR from Xanthobacter autotrophicus Py2 | Descriptor: | CHLORIDE ION, Short-chain dehydrogenase/reductase SDR | Authors: | Agarwal, R, Chamala, S, Evans, B, Foti, R, Hillerich, B, Kar, A, Lafleur, J, Siedel, R, Villigas, G, Zencheck, W, Gizzi, A, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-02-29 | Release date: | 2012-03-14 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a short-chain dehydrogenase/reductase SDR from Xanthobacter autotrophicus Py2 To be Published
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4DRY
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![BU of 4dry by Molmil](/molmil-images/mine/4dry) | The crystal structure of 3-oxoacyl-[acyl-carrier-protein] reductase from Rhizobium meliloti | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] reductase, SULFATE ION | Authors: | Zhang, Z, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-02-17 | Release date: | 2012-02-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of 3-oxoacyl-[acyl-carrier-protein] reductase from Rhizobium meliloti To be Published
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4DC1
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![BU of 4dc1 by Molmil](/molmil-images/mine/4dc1) | |
4DC0
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![BU of 4dc0 by Molmil](/molmil-images/mine/4dc0) | |
4DBZ
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![BU of 4dbz by Molmil](/molmil-images/mine/4dbz) | |
3VDQ
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![BU of 3vdq by Molmil](/molmil-images/mine/3vdq) | Crystal structure of alcaligenes faecalis D-3-hydroxybutyrate dehydrogenase in complex with NAD(+) and acetate | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Hoque, M.M, Shimizu, S, Hossain, M.T, Yamamoto, T, Suzuki, K, Takenaka, A. | Deposit date: | 2012-01-06 | Release date: | 2012-02-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structures of Alcaligenes faecalis D-3-hydroxybutyrate dehydrogenase before and after NAD+ and acetate binding suggest a dynamical reaction mechanism as a member of the SDR family. Acta Crystallogr.,Sect.D, 64, 2008
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3VDR
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![BU of 3vdr by Molmil](/molmil-images/mine/3vdr) | Crystal structure of D-3-hydroxybutyrate dehydrogenase, prepared in the presence of the substrate D-3-hydroxybutyrate and NAD(+) | Descriptor: | (3R)-3-hydroxybutanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ACETOACETIC ACID, ... | Authors: | Hoque, M.M, Shimizu, S, Juan, E.C.M, Sato, Y, Hossain, M.T, Yamamoto, T, Imamura, S, Amano, H, Suzuki, K, Sekiguchi, T, Tsunoda, M, Takenaka, A. | Deposit date: | 2012-01-06 | Release date: | 2012-02-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of D-3-hydroxybutyrate dehydrogenase prepared in the presence of the substrate D-3-hydroxybutyrate and NAD+. Acta Crystallogr.,Sect.F, 65, 2009
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3V8B
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![BU of 3v8b by Molmil](/molmil-images/mine/3v8b) | Crystal Structure of a 3-ketoacyl-ACP reductase from Sinorhizobium meliloti 1021 | Descriptor: | Putative dehydrogenase, possibly 3-oxoacyl-[acyl-carrier protein] reductase | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-12-22 | Release date: | 2012-01-11 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of a 3-ketoacyl-ACP reductase from Sinorhizobium meliloti 1021 To be Published
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3V2H
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![BU of 3v2h by Molmil](/molmil-images/mine/3v2h) | The crystal structure of D-beta-hydroxybutyrate dehydrogenase from Sinorhizobium meliloti | Descriptor: | D-beta-hydroxybutyrate dehydrogenase | Authors: | Zhang, Z, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-12-12 | Release date: | 2011-12-28 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The crystal structure of D-beta-hydroxybutyrate dehydrogenase from Sinorhizobium meliloti To be Published
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3UVE
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![BU of 3uve by Molmil](/molmil-images/mine/3uve) | |
3U9L
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![BU of 3u9l by Molmil](/molmil-images/mine/3u9l) | The crystal structure of 3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) from Sinorhizobium meliloti | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] reductase | Authors: | Zhang, Z, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-10-19 | Release date: | 2011-11-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of 3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) from Sinorhizobium meliloti TO BE PUBLISHED
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3TPC
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![BU of 3tpc by Molmil](/molmil-images/mine/3tpc) | Crystal structure of a hypothtical protein SMa1452 from Sinorhizobium meliloti 1021 | Descriptor: | Short chain alcohol dehydrogenase-related dehydrogenase | Authors: | Agarwal, R, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-09-07 | Release date: | 2011-09-28 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Crystal structure of a hypothtical protein SMa1452 from Sinorhizobium meliloti 1021 To be Published
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3TN7
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![BU of 3tn7 by Molmil](/molmil-images/mine/3tn7) | Crystal structure of short-chain alcohol dehydrogenase from hyperthermophilic archaeon Thermococcus sibiricus complexed with 5-hydroxy-NADP | Descriptor: | 5-hydroxy-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, GLYCEROL, Short-chain alcohol dehydrogenase | Authors: | Boyko, K.M, Polyakov, K.M, Bezsudnova, E.Y, Stekhanova, T.N, Gumerov, V.M, Mardanov, A.V, Ravin, N.V, Skryabin, K.G, Kovalchuk, M.V, Popov, V.O. | Deposit date: | 2011-09-01 | Release date: | 2012-08-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural insight into the molecular basis of polyextremophilicity of short-chain alcohol dehydrogenase from the hyperthermophilic archaeon Thermococcus sibiricus. Biochimie, 94, 2012
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3TL3
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![BU of 3tl3 by Molmil](/molmil-images/mine/3tl3) | |
3TJR
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![BU of 3tjr by Molmil](/molmil-images/mine/3tjr) | |
3TFQ
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![BU of 3tfq by Molmil](/molmil-images/mine/3tfq) | Crystal structure of 11b-hsd1 double mutant (l262r, f278e) complexed with 8-{[(2-CYANOPYRIDIN-3-YL)METHYL]SULFANYL}-6-HYDROXY-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE | Descriptor: | 8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, Corticosteroid 11-beta-dehydrogenase isozyme 1, GLYCEROL, ... | Authors: | Sheriff, S. | Deposit date: | 2011-08-16 | Release date: | 2011-11-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of 3-hydroxy-4-cyano-isoquinolines as novel, potent, and selective inhibitors of human 11beta-hydroxydehydrogenase 1 (11beta-HSD1) Bioorg.Med.Chem.Lett., 21, 2011
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3TFO
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![BU of 3tfo by Molmil](/molmil-images/mine/3tfo) | Crystal structure of a putative 3-oxoacyl-(acyl-carrier-protein) reductase from Sinorhizobium meliloti | Descriptor: | HEXANE-1,6-DIOL, SULFATE ION, putative 3-oxoacyl-(acyl-carrier-protein) reductase | Authors: | Agarwal, R, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-08-16 | Release date: | 2011-08-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Crystal structure of a putative 3-oxoacyl-(acyl-carrier-protein) reductase from Sinorhizobium meliloti To be Published
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3T4X
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![BU of 3t4x by Molmil](/molmil-images/mine/3t4x) | Short chain dehydrogenase/reductase family oxidoreductase from Bacillus anthracis str. Ames Ancestor | Descriptor: | Oxidoreductase, short chain dehydrogenase/reductase family | Authors: | Filippova, E.V, Wawrzak, Z, Skarina, T, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-07-26 | Release date: | 2011-08-17 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Short chain dehydrogenase/reductase family oxidoreductase from Bacillus anthracis str. 'Ames Ancestor' To be Published
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