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6NJ7	11-BETA DEHYDROGENASE ISOZYME 1 IN COMPLEX WITH COLLETOIC ACID Descriptor: (1S,4S,5S,9S)-9-hydroxy-8-methyl-4-(propan-2-yl)spiro[4.5]dec-7-ene-1-carboxylic acid, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Miller, D.J, Rivas, F. Deposit date: 2019-01-02 Release date: 2019-07-24 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Mechanistic Insight on the Mode of Action of Colletoic Acid. J.Med.Chem., 62, 2019
4WEO	Crystal Structure of a Putative acetoin(Diacetyl) Reductase Burkholderia cenocepacia Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2014-09-10 Release date: 2014-09-24 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Crystal Structure of a Putative acetoin(Diacetyl) Reductase Burkholderia cenocepacia to be published
6YC8	Crystal structure of KRED1-Pglu enzyme Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... Authors: Di Pisa, F. Deposit date: 2020-03-18 Release date: 2021-02-10 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Structural insights into the desymmetrization of bulky 1,2-dicarbonyls through enzymatic monoreduction. Bioorg.Chem., 108, 2021
7N09	Structural basis for branched substrate selectivity in a ketoreductase from Ascaris suum Descriptor: 3-hydroxyacyl-CoA dehydrogenase type-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Dong, H, Chang, M.C.Y. Deposit date: 2021-05-25 Release date: 2021-08-11 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural Basis for Branched Substrate Selectivity in a Ketoreductase from Ascaris suum Acs Catalysis, 11, 2021
7ULH	Crystal Structure of a Short chain dehydrogenase from Mycobacterium avium 104 Descriptor: Short chain dehydrogenase Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2022-04-04 Release date: 2022-04-13 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Crystal Structure of Crystal Structure of a Short chain dehydrogenase from Mycobacterium avium 104 to be published
5LDG	Isopiperitenone reductase from Mentha piperita in complex with Isopiperitenone and NADP Descriptor: (-)-Isopiperitenone, (-)-isopiperitenone reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. Deposit date: 2016-06-26 Release date: 2016-08-31 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Pinpointing a Mechanistic Switch Between Ketoreduction and "Ene" Reduction in Short-Chain Dehydrogenases/Reductases. Angew.Chem.Int.Ed.Engl., 55, 2016
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
5LCX	Isopiperitenone reductase from Mentha piperita in complex with NADP Descriptor: (-)-isopiperitenone reductase, (4S)-2-METHYL-2,4-PENTANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. Deposit date: 2016-06-22 Release date: 2016-08-31 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.709 Å) Cite: Pinpointing a Mechanistic Switch Between Ketoreduction and "Ene" Reduction in Short-Chain Dehydrogenases/Reductases. Angew.Chem.Int.Ed.Engl., 55, 2016
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
6D9Y	Crystal structure of a short chain dehydrogenase/reductase SDR from Burkholderia phymatum with partially occupied NAD Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2018-04-30 Release date: 2018-06-06 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Crystal structure of a short chain dehydrogenase/reductase SDR from Burkholderia phymatum with partially occupied NAD To be Published
2IRW	Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Ether Inhibitor Descriptor: (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Longenecker, K.L, Patel, J.R, Russell, J, Qin, W. Deposit date: 2006-10-16 Release date: 2007-01-23 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Discovery of adamantane ethers as inhibitors of 11beta-HSD-1: Synthesis and biological evaluation. Bioorg.Med.Chem.Lett., 17, 2007
8I70	Crystal structure of NADP-binding form of malonyl-CoA reductase C-domain from Chloroflexus aurantiacus Descriptor: GLYCEROL, L(+)-TARTARIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Kim, S, Kim, K.-J. Deposit date: 2023-01-30 Release date: 2023-06-14 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Cryo-EM structure of bifunctional malonyl-CoA reductase from Chloroflexus aurantiacus reveals a dynamic domain movement for high enzymatic activity. Int.J.Biol.Macromol., 242, 2023
8I6Z	Crystal structure of apo-form of malonyl-CoA reductase C-domain from Chloroflexus aurantiacus Descriptor: GLYCEROL, L(+)-TARTARIC ACID, Short-chain dehydrogenase/reductase SDR Authors: Kim, S, Kim, K.-J. Deposit date: 2023-01-30 Release date: 2023-06-14 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Cryo-EM structure of bifunctional malonyl-CoA reductase from Chloroflexus aurantiacus reveals a dynamic domain movement for high enzymatic activity. Int.J.Biol.Macromol., 242, 2023
6DTP	CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 COMPLEXED WITH EM139 Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Estradiol 17-beta-dehydrogenase 1, ... Authors: Li, T, Lin, S.X. Deposit date: 2018-06-18 Release date: 2018-09-12 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2 Å) Cite: CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 COMPLEXED WITH Dual-Site Inhibitor EM-139 Health, 2018
2ILT	Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Sulfone Inhibitor Descriptor: 2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Longenecker, K.L, Sorensen, B, Judge, R, Qin, W, Link, J.T. Deposit date: 2006-10-03 Release date: 2007-04-03 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Adamantane sulfone and sulfonamide 11-beta-HSD1 Inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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
4DBZ	Crystal Structure of V151L Actinorhodin Polyketide Ketoreductase with NADPH Descriptor: Ketoacyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Javidpour, P, Tsai, S.-C. Deposit date: 2012-01-16 Release date: 2013-01-16 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.643 Å) Cite: The Determinants of Activity and Specificity in Actinorhodin Type II Polyketide Ketoreductase. Chem.Biol., 20, 2013
4DC0	Crystal Structure of F189W Actinorhodin Polyketide Ketoreductase with NADPH Descriptor: Ketoacyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Javidpour, P, Tsai, S.-C. Deposit date: 2012-01-16 Release date: 2013-01-16 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.813 Å) Cite: The Determinants of Activity and Specificity in Actinorhodin Type II Polyketide Ketoreductase. Chem.Biol., 20, 2013
5MLN	The crystal structure of alcohol dehydrogenase 10 from Candida magnoliae Descriptor: Alcohol dehydrogenase 3, DI(HYDROXYETHYL)ETHER, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Castellanos, J.R.G, Mattevi, A. Deposit date: 2016-12-07 Release date: 2017-12-20 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.6 Å) Cite: One-Pot Biocatalytic Double Oxidation of alpha-Isophorone for the Synthesis of Ketoisophorone Chemcatchem, 2017
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
7X5J	ACP-dependent oxoacyl reductase Descriptor: 3-oxoacyl-ACP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHENYLALANINE Authors: Wang, S, Bai, L. Deposit date: 2022-03-04 Release date: 2023-03-08 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.1 Å) Cite: ACP-dependent oxoacyl reductase To Be Published
4RZH	Crystal structure of FabG from Synechocystis sp. PCC 6803 Descriptor: 3-oxoacyl-[acyl-carrier protein] reductase Authors: Liu, Y, Xue, S. Deposit date: 2014-12-22 Release date: 2015-09-16 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structure-directed construction of a high-performance version of the enzyme FabG from the photosynthetic microorganism Synechocystis sp. PCC 6803. Febs Lett., 589, 2015
4TRR	Crystal structure of a putative Putative D-beta-hydroxybutyrate dehydrogenase from Burkholderia cenocepacia J2315 Descriptor: 1,2-ETHANEDIOL, Putative D-beta-hydroxybutyrate dehydrogenase, SULFATE ION Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2014-06-17 Release date: 2014-08-06 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure of a putative Putative D-beta-hydroxybutyrate dehydrogenase from Burkholderia cenocepacia J2315 to be published
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
5O3Z	Crystal structure of Sorbitol-6-Phosphate 2-dehydrogenase SrlD from Erwinia amylovora Descriptor: CHLORIDE ION, Sorbitol-6-phosphate dehydrogenase Authors: Salomone-Stagni, M, Bartho, J.D, Bellini, D, Walsh, M.A, Benini, S. Deposit date: 2017-05-25 Release date: 2018-06-13 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Structural and functional analysis of Erwinia amylovora SrlD. The first crystal structure of a sorbitol-6-phosphate 2-dehydrogenase. J.Struct.Biol., 203, 2018

 

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