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5MLN
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BU of 5mln by Molmil
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
6RNW
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BU of 6rnw by Molmil
The crystal structure of Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR) in complex with NADP.
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-protochlorophyllide oxidoreductase
Authors:Levy, C.W.
Deposit date:2019-05-09
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis.
Nature, 574, 2019
6RNV
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The crystal structure of Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR)
Descriptor: CHLORIDE ION, Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR)
Authors:Levy, C.W.
Deposit date:2019-05-09
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis.
Nature, 574, 2019
6ZE0
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BU of 6ze0 by Molmil
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
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BU of 6zdz by Molmil
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
6ZZO
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BU of 6zzo by Molmil
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
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BU of 6zzp by Molmil
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:2021-01-20
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
5O3Z
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BU of 5o3z by Molmil
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
5O98
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Binary complex of Catharanthus roseus Vitrosamine Synthase with NADP+
Descriptor: Alcohol dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Stavrinides, A.K, Tatsis, E.C, Dang, T.T, Caputi, L, Stevenson, C.E.M, Lawson, D.M, Schneider, B, O'Connor, S.E.
Deposit date:2017-06-16
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of a Short-Chain Dehydrogenase from Catharanthus roseus that Produces a New Monoterpene Indole Alkaloid.
Chembiochem, 19, 2018
6UHX
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BU of 6uhx by Molmil
Crystal structure of YIR035C short chain dehydrogenases/reductase from Saccharomyces cerevisiae
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Uncharacterized oxidoreductase YIR035C
Authors:Stogios, P.J, Skarina, T, Chen, C, Kagan, O, Iakounine, A, Savchenko, A.
Deposit date:2019-09-29
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of YIR035C short chain dehydrogenases/reductase from Saccharomyces cerevisiae
To Be Published
5YSS
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BU of 5yss by Molmil
Crystal structure of aminocaproic acid cyclase in complex with NAD (+)
Descriptor: 3-hydroxybutyrate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Fu, Y, Yeom, S.J, Lee, S.G.
Deposit date:2017-11-15
Release date:2018-10-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.276 Å)
Cite:A synthetic microbial biosensor for high-throughput screening of lactam biocatalysts
Nat Commun, 9, 2018
5Z2L
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BU of 5z2l by Molmil
Crystal structure of BdcA in complex with NADPH
Descriptor: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Cyclic-di-GMP-binding biofilm dispersal mediator protein, ...
Authors:Yang, W.S, Hou, Y.J, Li, D.F, Wang, D.C.
Deposit date:2018-01-03
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A potential substrate binding pocket of BdcA plays a critical role in NADPH recognition and biofilm dispersal
Biochem. Biophys. Res. Commun., 497, 2018
1JTV
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BU of 1jtv by Molmil
Crystal structure of 17beta-Hydroxysteroid Dehydrogenase Type 1 complexed with Testosterone
Descriptor: 17 beta-hydroxysteroid dehydrogenase type 1, GLYCEROL, TESTOSTERONE
Authors:Shi, R, Nahoum, V, Lin, S.X.
Deposit date:2001-08-22
Release date:2003-06-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Pseudo-symmetry of C19 steroids, alternative binding orientations, and multispecificity in human estrogenic 17beta-hydroxysteroid dehydrogenase.
FASEB J., 17, 2003
4N5M
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BU of 4n5m by Molmil
Crystal structure of (R)-3-hydroxybutyryl-CoA dehydrogenase from Ralstonia eutropha in complexed with acetoacetyl-CoA
Descriptor: ACETOACETYL-COENZYME A, Acetoacetyl-CoA reductase, GLYCEROL
Authors:Kim, J.-E, Kim, S, Kim, K.-J.
Deposit date:2013-10-10
Release date:2013-12-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Crystal structure of (R)-3-hydroxybutyryl-CoA dehydrogenase PhaB from Ralstonia eutropha
Biochem.Biophys.Res.Commun., 443, 2014
4N5L
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BU of 4n5l by Molmil
Crystal structure of (R)-3-hydroxybutyryl-CoA dehydrogenase from Ralstonia eutropha
Descriptor: Acetoacetyl-CoA reductase
Authors:Kim, J.-E, Kim, S, Kim, K.-J.
Deposit date:2013-10-10
Release date:2013-12-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of (R)-3-hydroxybutyryl-CoA dehydrogenase PhaB from Ralstonia eutropha
Biochem.Biophys.Res.Commun., 443, 2014
4N5N
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BU of 4n5n by Molmil
Crystal structure of (R)-3-hydroxybutyryl-CoA dehydrogenase from Ralstonia eutropha in complexed with NADP
Descriptor: Acetoacetyl-CoA reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Kim, J.-E, Kim, S, Kim, K.-J.
Deposit date:2013-10-10
Release date:2013-12-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of (R)-3-hydroxybutyryl-CoA dehydrogenase PhaB from Ralstonia eutropha
Biochem.Biophys.Res.Commun., 443, 2014
4NMH
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BU of 4nmh by Molmil
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
4O5O
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BU of 4o5o by Molmil
X-ray Crystal Structure of a 3-hydroxyacyl-CoA dehydrogenase from Brucella suis
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyacyl-CoA dehydrogenase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-12-19
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray Crystal Structure of a 3-hydroxyacyl-CoA dehydrogenase from Brucella suis
TO BE PUBLISHED
1MG5
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BU of 1mg5 by Molmil
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
6CGC
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BU of 6cgc by Molmil
Crystal structure of human 17beta-HSD type 1 in ternary complex with 2-MeO-CC-156 and NADP+
Descriptor: 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxy-2-methoxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide, Estradiol 17-beta-dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, T, Lin, S.X.
Deposit date:2018-02-19
Release date:2019-01-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Combined Biophysical Chemistry Reveals a New Covalent Inhibitor with a Low-Reactivity Alkyl Halide.
J Phys Chem Lett, 9, 2018
1N5D
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BU of 1n5d by Molmil
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
6CGE
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BU of 6cge by Molmil
Crystal structure of human 17beta-HSD type 1 in ternary complex with PBRM and NADP+
Descriptor: 3-{[(14beta,16alpha,17alpha)-3-(2-bromoethyl)-17-hydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide, Estradiol 17-beta-dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, T, Lin, S.X.
Deposit date:2018-02-20
Release date:2019-01-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Combined Biophysical Chemistry Reveals a New Covalent Inhibitor with a Low-Reactivity Alkyl Halide.
J Phys Chem Lett, 9, 2018
4P38
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BU of 4p38 by Molmil
Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with AZD8329
Descriptor: 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid, CHLORIDE ION, Corticosteroid 11-beta-dehydrogenase isozyme 1, ...
Authors:Ogg, D, Hargreaves, D, Gerhardt, S.
Deposit date:2014-03-06
Release date:2014-04-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Novel acidic 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) inhibitor with reduced acyl glucuronide liability: the discovery of 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid (AZD8329).
J.Med.Chem., 55, 2012
1NAS
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BU of 1nas by Molmil
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
6D9Y
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BU of 6d9y by Molmil
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

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