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2RBE	The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors Descriptor: (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Zhang, J, Jordan, S.R, Li, V. Deposit date: 2007-09-18 Release date: 2008-01-15 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.9 Å) Cite: The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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
2RHC	Actinorhodin ketordeuctase, actKR, with NADP+ and Inhibitor Emodin Descriptor: 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, Actinorhodin Polyketide Ketoreductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Korman, T.P, Tsai, S.-C. Deposit date: 2007-10-08 Release date: 2008-08-19 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Inhibition kinetics and emodin cocrystal structure of a type II polyketide ketoreductase Biochemistry, 47, 2008
6ZE0	Orthorhombic crystal structure of the bulky-bulky ketone specific alcohol dehydrogenase from Comamonas testosteroni Descriptor: alcohol dehydrogenase Authors: Toelzer, C, Niefind, K. Deposit date: 2020-06-15 Release date: 2020-11-11 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Expanding the Application Range of Microbial Oxidoreductases by an Alcohol Dehydrogenase from Comamonas testosteroni with a Broad Substrate Spectrum and pH Profile Catalysts, 2020
6ZDZ	Tetragonal crystal structure of the bulky-bulky ketone specific alcohol dehydrogenase from Comamonas testosteroni Descriptor: SULFATE ION, alcohol dehydrogenase Authors: Toelzer, C, Niefind, K. Deposit date: 2020-06-15 Release date: 2020-11-11 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.153 Å) Cite: Expanding the Application Range of Microbial Oxidoreductases by an Alcohol Dehydrogenase from Comamonas testosteroni with a Broad Substrate Spectrum and pH Profile Catalysts, 2020
2RHR	P94L actinorhodin ketordeuctase mutant, 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: 2007-10-09 Release date: 2008-08-19 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Inhibition kinetics and emodin cocrystal structure of a type II polyketide ketoreductase Biochemistry, 47, 2008
1N5D	CRYSTAL STRUCTURE OF PORCINE TESTICULAR CARBONYL REDUCTASE/ 20BETA-HYDROXYSTEROID DEHYDROGENASE Descriptor: CARBONYL REDUCTASE/20BETA-HYDROXYSTEROID DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION Authors: Ghosh, D. Deposit date: 2002-11-05 Release date: 2002-11-13 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Porcine Carbonyl Reductase: Structural Basis for a Functional Monomer in Short-Chain Dehydrogenases/Reductases J.Biol.Chem., 276, 2001
6ZZO	Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Psychrobacter arcticus complexed with NAD+ and acetoacetate Descriptor: ACETOACETIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative beta-hydroxybutyrate dehydrogenase Authors: Machado, T.F.G, da Silva, R.G, Gloster, T.M, McMahon, S.A, Oehler, V. Deposit date: 2020-08-04 Release date: 2020-10-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.28 Å) Cite: Dissecting the Mechanism of ( R )-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry. Acs Catalysis, 10, 2020
6ZZP	Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Psychrobacter arcticus complexed with NAD+ and 3-oxovalerate Descriptor: 3-oxidanylidenepentanoic acid, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative beta-hydroxybutyrate dehydrogenase Authors: Machado, T.F.G, da Silva, R.G, Gloster, T.M, McMahon, S.A, Oehler, V. Deposit date: 2020-08-04 Release date: 2020-10-07 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Dissecting the Mechanism of ( R )-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry. Acs Catalysis, 10, 2020
1MG5	Crystal structure of Drosophila melanogaster alcohol dehydrogenase complexed with NADH and acetate at 1.6 A Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ACETATE ION, alcohol dehydrogenase Authors: Benach, J, Atrian, S, Gonzalez-Duarte, R, Ladenstein, R. Deposit date: 2002-08-14 Release date: 2003-10-14 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Drosophila alcohol dehydrogenase: acetate-enzyme interactions and novel insights into the effects of electrostatics on catalysis J.Mol.Biol., 345, 2005
1OOE	Structural Genomics of Caenorhabditis elegans : Dihydropteridine reductase Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Dihydropteridine reductase Authors: Symersky, J, Li, S, Nagy, L, Qiu, S, Lin, G, Tsao, J, Luo, D, Carson, M, DeLucas, L, Luo, M, Southeast Collaboratory for Structural Genomics (SECSG) Deposit date: 2003-03-03 Release date: 2003-03-18 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Structural genomics of Caenorhabditis elegans: structure of dihydropteridine reductase. Proteins, 53, 2003
1NAS	SEPIAPTERIN REDUCTASE COMPLEXED WITH N-ACETYL SEROTONIN Descriptor: N-ACETYL SEROTONIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXALOACETATE ION, ... Authors: Auerbach, G, Herrmann, A, Bacher, A, Huber, R. Deposit date: 1998-03-26 Release date: 1999-03-30 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.1 Å) Cite: The 1.25 A crystal structure of sepiapterin reductase reveals its binding mode to pterins and brain neurotransmitters. EMBO J., 16, 1997
6I6F	SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 1 Descriptor: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Sepiapterin reductase, ... Authors: Alen, J, Schade, M, Wagener, M, Blaesse, M. Deposit date: 2018-11-15 Release date: 2019-07-10 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors. J.Med.Chem., 62, 2019
6I6V	SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 6 Descriptor: 1,2-ETHANEDIOL, 2-[[(3~{R})-oxan-3-yl]methylsulfonyl]-2-azaspiro[4.5]decane, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Alen, J, Schade, M, Wagener, M, Blaesse, M. Deposit date: 2018-11-15 Release date: 2019-07-10 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (1.43 Å) Cite: Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors. J.Med.Chem., 62, 2019
8J29	Structures of the C-terminal subenzyme of the malonyl-CoA reductase from Chloroflexus aurantiacus Descriptor: GLYCEROL, L(+)-TARTARIC ACID, Short-chain dehydrogenase/reductase SDR Authors: Ma, Q, Liu, C. Deposit date: 2023-04-14 Release date: 2024-04-17 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Structures of the C-terminal subenzyme of the malonyl-CoA reductase from Chloroflexus aurantiacus To Be Published
8J2A	Structure of the C-terminal subenzyme of the malonyl-CoA reductase from Chloroflexus aurantiacus, in complex with NADP+ Descriptor: GLYCEROL, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Ma, Q, Liu, C. Deposit date: 2023-04-14 Release date: 2024-04-17 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structures of the C-terminal subenzyme of the malonyl-CoA reductase from Chloroflexus aurantiacus To Be Published
8J2D	Structure of the C-terminal subenzyme of the malonyl-CoA reductase from Chloroflexus aurantiacus, mutant N940V/K1106W/S1114R in complex with NADP+ Descriptor: GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR Authors: Ma, Q, Liu, C. Deposit date: 2023-04-14 Release date: 2024-04-17 Method: X-RAY DIFFRACTION (2.21 Å) Cite: Structures of the C-terminal subenzyme of the malonyl-CoA reductase from Chloroflexus aurantiacus To Be Published
8J2C	Structure of the C-terminal subenzyme of the malonyl-CoA reductase from Chloroflexus aurantiacus, mutant N940V/K1106W/S1114R Descriptor: GLYCEROL, L(+)-TARTARIC ACID, Short-chain dehydrogenase/reductase SDR Authors: Ma, Q, Liu, C. Deposit date: 2023-04-14 Release date: 2024-04-17 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structures of the C-terminal subenzyme of the malonyl-CoA reductase from Chloroflexus aurantiacus To Be Published
8J2E	Structure of the C-terminal subenzyme of the malonyl-CoA reductase from Chloroflexus aurantiacus, mutant N940V/K1106W/S1114R in complex with NADP+ and malonate Descriptor: MALONIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR Authors: Ma, Q, Liu, C. Deposit date: 2023-04-14 Release date: 2024-04-17 Method: X-RAY DIFFRACTION (2.12 Å) Cite: Structures of the C-terminal subenzyme of the malonyl-CoA reductase from Chloroflexus aurantiacus To Be Published
8J2B	Structure of the C-terminal subenzyme of the malonyl-CoA reductase from Chloroflexus aurantiacus, in complex with NADP+ and malonate Descriptor: MALONIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR Authors: Ma, Q, Liu, C. Deposit date: 2023-04-14 Release date: 2024-04-17 Method: X-RAY DIFFRACTION (2.13 Å) Cite: Structures of the C-terminal subenzyme of the malonyl-CoA reductase from Chloroflexus aurantiacus To Be Published
1SEP	MOUSE SEPIAPTERIN REDUCTASE COMPLEXED WITH NADP AND SEPIAPTERIN Descriptor: BIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SEPIAPTERIN REDUCTASE Authors: Auerbach, G, Herrmann, A, Guetlich, M, Fischer, M, Jacob, U, Bacher, A, Huber, R. Deposit date: 1997-05-23 Release date: 1999-01-13 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.95 Å) Cite: The 1.25 A crystal structure of sepiapterin reductase reveals its binding mode to pterins and brain neurotransmitters. EMBO J., 16, 1997
6I6P	SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 3 Descriptor: 1,2-ETHANEDIOL, 6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Alen, J, Schade, M, Wagener, M, Blaesse, M. Deposit date: 2018-11-15 Release date: 2019-07-10 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (1.62 Å) Cite: Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors. J.Med.Chem., 62, 2019
6I6C	SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 2 Descriptor: (1~{R},2~{S},4~{S})-~{N}-(3-chloranyl-4-cyano-phenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide, 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Alen, J, Schade, M, Wagener, M, Blaesse, M. Deposit date: 2018-11-15 Release date: 2019-07-10 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (1.72 Å) Cite: Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors. J.Med.Chem., 62, 2019
6I6T	SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 5 Descriptor: 1,2-ETHANEDIOL, 4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Alen, J, Schade, M, Wagener, M, Blaesse, M. Deposit date: 2018-11-15 Release date: 2019-07-10 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (1.79 Å) Cite: Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors. J.Med.Chem., 62, 2019
1U7T	Crystal Structure of ABAD/HSD10 with a Bound Inhibitor Descriptor: 1-AZEPAN-1-YL-2-PHENYL-2-(4-THIOXO-1,4-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-5-YL)ETHANONE ADDUCT, 3-hydroxyacyl-CoA dehydrogenase type II, NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Kissinger, C.R, Rejto, P.A, Pelletier, L.A, Showalter, R.E, Villafranca, J.E. Deposit date: 2004-08-04 Release date: 2004-10-05 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of human ABAD/HSD10 with a bound inhibitor: implications for design of Alzheimer's disease therapeutics J.Mol.Biol., 342, 2004

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