2BD0
 
 | | Chlorobium tepidum Sepiapterin Reductase complexed with NADP and Sepiapterin | | Descriptor: | BIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, sepiapterin reductase | | Authors: | Supangat, S, Seo, K.H, Choi, Y.K, Park, Y.S, Lee, K.H. | | Deposit date: | 2005-10-19 | | Release date: | 2005-11-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of Chlorobium tepidum sepiapterin reductase complex reveals the novel substrate binding mode for stereospecific production of L-threo-tetrahydrobiopterin
J.Biol.Chem., 281, 2006
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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
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4N5M
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4N5L
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2C07
 | | Oxoacyl-ACP reductase of Plasmodium falciparum | | Descriptor: | 3-OXOACYL-(ACYL-CARRIER PROTEIN) REDUCTASE, SULFATE ION | | Authors: | Urch, J.E, Wickramasinghe, S.R, Inglis, K.A, Muller, S, Fairlamb, A.H, van Aalten, D.M.F. | | Deposit date: | 2005-08-26 | | Release date: | 2005-10-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Kinetic, Inhibition and Structural Studies on 3-Oxoacyl-Acp Reductase from Plasmodium Falciparum, a Key Enzyme in Fatty Acid Biosynthesis.
Biochem.J., 393, 2006
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4NMH
 | | 11-beta-HSD1 in complex with a 3,3-Di-methyl-azetidin-2-one | | Descriptor: | (4S)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | McCoull, W, Augustin, M, Blake, C, Ertan, A, Kilgour, E.K, Krapp, S, Moore, J.E, Newcombe, N.J, Packer, M.J, Rees, A, Revill, J, Scott, J.S, Selmi, N, Gerhardt, S, Ogg, D.J, Steinbacher, S, Whittamore, P.R.O. | | Deposit date: | 2013-11-15 | | Release date: | 2014-03-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Identification and optimisation of 3,3-dimethyl-azetidin-2-ones as potent and selective inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 (11-beta-HSD1)
TO BE PUBLISHED
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7DSF
 | | The Crystal Structure of human SPR from Biortus. | | Descriptor: | ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Sepiapterin reductase, ... | | Authors: | Wang, F, Lv, Z, Cheng, W, Lin, D, Meng, Q, Zhang, B, Huang, Y. | | Deposit date: | 2020-12-31 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Crystal Structure of human SPR from Biortus.
To Be Published
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5L4S
 | | Isopiperitenone reductase from Mentha piperita in complex with NADP and beta-Cyclocitral | | Descriptor: | (-)-isopiperitenone reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, beta-cyclocitral | | Authors: | Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. | | Deposit date: | 2016-05-26 | | Release date: | 2016-08-31 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.41 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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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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2BEL
 | | Structure of human 11-beta-hydroxysteroid dehydrogenase in complex with NADP and carbenoxolone | | Descriptor: | CARBENOXOLONE, CHLORIDE ION, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, ... | | Authors: | Kavanagh, K, Wu, X, Svensson, S, Elleby, B, von Delft, F, Debreczeni, J.E, Sharma, S, Bray, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Abrahmsen, L, Oppermann, U. | | Deposit date: | 2004-11-25 | | Release date: | 2004-12-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The High Resolution Structures of Human, Murine and Guinea Pig 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Reveal Critical Differences in Active Site Architecture
To be Published
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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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5JO9
 | | Structural characterization of the thermostable Bradyrhizobium japonicum d-sorbitol dehydrogenase | | Descriptor: | PHOSPHATE ION, Ribitol 2-dehydrogenase, sorbitol | | Authors: | Fredslund, F, Otten, H, Navarro Poulsen, J.-C, Lo Leggio, L. | | Deposit date: | 2016-05-02 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.894 Å) | | Cite: | Structural characterization of the thermostable Bradyrhizobium japonicumD-sorbitol dehydrogenase.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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7ENY
 | | Crystal structure of hydroxysteroid dehydrogenase from Escherichia coli | | Descriptor: | 7alpha-hydroxysteroid dehydrogenase | | Authors: | Kim, K.-H, Lee, C.W, Pardhe, D.P, Hwang, J, Do, H, Lee, Y.M, Lee, J.H, Oh, T.-J. | | Deposit date: | 2021-04-21 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Crystal structure of an apo 7 alpha-hydroxysteroid dehydrogenase reveals key structural changes induced by substrate and co-factor binding.
J.Steroid Biochem.Mol.Biol., 212, 2021
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4O5O
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7E24
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7E28
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7E3X
 | | Crystal structure of SDR family NAD(P)-dependent oxidoreductase from exiguobacterium | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase | | Authors: | Chen, L, Tang, J, Yuan, S, Zhang, F, Chen, S. | | Deposit date: | 2021-02-09 | | Release date: | 2021-09-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structure-guided evolution of a ketoreductase forefficient and stereoselective bioreduction of bulkyalpha-aminobeta-keto esters
Catalysis Science And Technology, 2021
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4N5N
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7E6O
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2Q2W
 | | Structure of D-3-Hydroxybutyrate Dehydrogenase from Pseudomonas putida | | Descriptor: | Beta-D-hydroxybutyrate dehydrogenase | | Authors: | Paithankar, K.S, Feller, C, Kuettner, E.B, Keim, A, Grunow, M, Strater, N. | | Deposit date: | 2007-05-29 | | Release date: | 2007-10-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Cosubstrate-induced dynamics of D-3-hydroxybutyrate dehydrogenase from Pseudomonas putida.
Febs J., 274, 2007
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2EHD
 | | Crystal Structure Analysis of Oxidoreductase | | Descriptor: | COBALT (II) ION, Oxidoreductase, short-chain dehydrogenase/reductase family | | Authors: | Kamiya, N, Hikima, T, Ebihara, A, Inoue, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-03-06 | | Release date: | 2008-03-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure analysis of putative oxidoreductase from Thermus thermophilus HB8
to be published
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5PGV
 | | CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 1-(3-HYDROXYAZETIDIN-1-YL)-2-[(2S,5R)-2-(4-FLUOROPHENYL)-5-METHOXYADAMANTAN-2-YL]ETHAN-1-ONE | | Descriptor: | 1-(3-HYDROXYAZETIDIN-1-YL)-2-[(2S,5R)-2-(4-FLUOROPHENYL)-5-METHOXYADAMANTAN-2-YL]ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Sheriff, S. | | Deposit date: | 2017-02-06 | | Release date: | 2017-11-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
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2HSD
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5QII
 | | CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-(3-(1-(4-CHLOROPHENYL)CYCLOPROPYL) -[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8-YL)PROPAN-2-OL | | Descriptor: | 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Sheriff, S. | | Deposit date: | 2018-07-03 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 9, 2018
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5QIJ
 | | CRYSTAL STRUCTURE OF MURINE 11B- HYDROXYSTEROIDDEHYDROGENASE COMPLEXED WITH 2-(3-(1-(4- CHLOROPHENYL)CYCLOPROPYL)-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8- YL)PROPAN-2-OL | | Descriptor: | 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Sheriff, S. | | Deposit date: | 2018-07-03 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 9, 2018
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