6NJ7
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![BU of 6nj7 by Molmil](/molmil-images/mine/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
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4WEO
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6YC8
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![BU of 6yc8 by Molmil](/molmil-images/mine/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
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7N09
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7ULH
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5LDG
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![BU of 5ldg by Molmil](/molmil-images/mine/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
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6ZE0
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5LCX
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![BU of 5lcx by Molmil](/molmil-images/mine/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
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6ZDZ
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6D9Y
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2IRW
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![BU of 2irw by Molmil](/molmil-images/mine/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
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8I70
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8I6Z
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6DTP
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2ILT
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![BU of 2ilt by Molmil](/molmil-images/mine/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
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6ZZP
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![BU of 6zzp by Molmil](/molmil-images/mine/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
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4DBZ
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4DC0
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5MLN
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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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7X5J
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![BU of 7x5j by Molmil](/molmil-images/mine/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
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4RZH
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![BU of 4rzh by Molmil](/molmil-images/mine/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
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4TRR
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6ZZO
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![BU of 6zzo by Molmil](/molmil-images/mine/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
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5O3Z
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![BU of 5o3z by Molmil](/molmil-images/mine/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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