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4IMR
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BU of 4imr by Molmil
Crystal structure of 3-oxoacyl (acyl-carrier-protein) reductase (target EFI-506442) from agrobacterium tumefaciens C58 with NADP bound
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, UNKNOWN LIGAND
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N.F, Stead, M, Love, J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-01-03
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal Structure of 3-Oxoacyl (Acyl-Carrier-Protein) Reductase Atu5465 from Agrobacterium Tumefaciens
To be Published
4K1L
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BU of 4k1l by Molmil
4,4-Dioxo-5,6-dihydro-[1,4,3]oxathiazines, a novel class of 11 beta-HSD1 inhibitors for the treatment of diabetes
Descriptor: (4aS,8aR)-N-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Loenze, P, Schimanski-Breves, S, Von der Heyden, C, Engel, C.K.
Deposit date:2013-04-05
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:1,1-Dioxo-5,6-dihydro-[4,1,2]oxathiazines, a novel class of 11-HSD1 inhibitors for the treatment of diabetes.
Bioorg.Med.Chem.Lett., 23, 2013
3RJ9
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BU of 3rj9 by Molmil
Structure of alcohol dehydrogenase from Drosophila lebanonesis T114V mutant complexed with NAD+
Descriptor: Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Morgunova, E, Wuxiuer, Y, Cols, N, Popov, A, Sylte, I, Karshikoff, A, Gonzales-Duarte, R, Ladenstein, R, Winberg, J.O.
Deposit date:2011-04-15
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:An intact eight-membered water chain in drosophilid alcohol dehydrogenases is essential for optimal enzyme activity.
Febs J., 279, 2012
3WXB
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BU of 3wxb by Molmil
Crystal structure of NADPH bound carbonyl reductase from chicken fatty liver
Descriptor: 1,2-ETHANEDIOL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Uncharacterized protein
Authors:Yoneda, K, Sakuraba, H, Fukuda, Y, Sone, T, Araki, T, Ohshima, T.
Deposit date:2014-07-29
Release date:2015-07-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A novel NAD(P)H-dependent carbonyl reductase specifically expressed in the thyroidectomized chicken fatty liver: catalytic properties and crystal structure.
Febs J., 282, 2015
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
1BDB
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BU of 1bdb by Molmil
CIS-BIPHENYL-2,3-DIHYDRODIOL-2,3-DEHYDROGENASE FROM PSEUDOMONAS SP. LB400
Descriptor: CIS-BIPHENYL-2,3-DIHYDRODIOL-2,3-DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Huelsmeyer, M, Hecht, H.-J, Niefind, K, Hofer, B, Timmis, K.N, Schomburg, D.
Deposit date:1997-05-10
Release date:1997-11-12
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of cis-biphenyl-2,3-dihydrodiol-2,3-dehydrogenase from a PCB degrader at 2.0 A resolution.
Protein Sci., 7, 1998
3M1A
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BU of 3m1a by Molmil
The Crystal Structure of a Short-chain Dehydrogenase from Streptomyces avermitilis to 2A
Descriptor: ACETATE ION, Putative dehydrogenase, SODIUM ION
Authors:Stein, A.J, Evdokimova, E, Egorova, O, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-03-04
Release date:2010-03-23
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of a Short-chain Dehydrogenase from Streptomyces avermitilis to 2A
To be Published
7N09
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BU of 7n09 by Molmil
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
6DTP
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BU of 6dtp by Molmil
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
1U7T
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BU of 1u7t by Molmil
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
3HB5
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BU of 3hb5 by Molmil
Binary and ternary crystal structures of a novel inhibitor of 17 beta-HSD type 1: a lead compound for breast cancer therapy
Descriptor: 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide, Estradiol 17-beta-dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Mazumdar, M, Lin, S.-X.
Deposit date:2009-05-04
Release date:2009-12-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binary and ternary crystal structure analyses of a novel inhibitor with 17beta-HSD type 1: a lead compound for breast cancer therapy.
Biochem.J., 424, 2009
7BSX
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BU of 7bsx by Molmil
SDR protein NapW-NADP
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase
Authors:Wen, W.H, Tang, G.L.
Deposit date:2020-03-31
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reductive inactivation of the hemiaminal pharmacophore for resistance against tetrahydroisoquinoline antibiotics.
Nat Commun, 12, 2021
1E3W
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BU of 1e3w by Molmil
Rat brain 3-hydroxyacyl-CoA dehydrogenase binary complex with NADH and 3-keto butyrate
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETOACETIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Powell, A.J, Read, J.A, Brady, R.L.
Deposit date:2000-06-26
Release date:2001-05-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recognition of Structurally Diverse Substrates by Type II 3-Hydroxyacyl-Coa Dehydrogenase (Hadh II) Amyloid-Beta Binding Alcohol Dehydrogenase (Abad)
J.Mol.Biol., 303, 2000
1E3S
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BU of 1e3s by Molmil
Rat brain 3-hydroxyacyl-CoA dehydrogenase binary complex with NADH
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SHORT CHAIN 3-HYDROXYACYL-COA DEHYDROGENASE
Authors:Powell, A.J, Read, J.A, Banfield, M.J, Brady, R.L.
Deposit date:2000-06-22
Release date:2001-05-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recognition of Structurally Diverse Substrates by Type II 3-Hydroxyacyl-Coa Dehydrogenase (Hadh II) Amyloid-Beta Binding Alcohol Dehydrogenase (Abad)
J.Mol.Biol., 303, 2000
5IDW
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BU of 5idw by Molmil
Crystal structure of an oxidoreductase from Burkholderia vietnamiensis in complex with NADP
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-02-24
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of an oxidoreductase from Burkholderia vietnamiensis in complex with NADP
to be published
6K8U
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BU of 6k8u by Molmil
Crystal structure of C-domain with NADP of baterial malonyl-CoA reductase
Descriptor: GLYCEROL, NAD-dependent epimerase/dehydratase:Short-chain dehydrogenase/reductase SDR, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Kim, S, Kim, K.-J.
Deposit date:2019-06-13
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insight into bi-functional malonyl-CoA reductase.
Environ.Microbiol., 22, 2020
8HI6
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BU of 8hi6 by Molmil
Crystal structure of the NADP+ and MSA bound N terminal domain of bi-functional malonyl-CoA reductase from Roseiflexus castenholzii
Descriptor: 3-oxidanylidenepropanoic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR
Authors:Zhang, X, Wu, W.P, Xu, X.
Deposit date:2022-11-18
Release date:2023-05-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of a bi-functional malonyl-CoA reductase (MCR) from the photosynthetic green non-sulfur bacterium Roseiflexus castenholzii.
Mbio, 14, 2023
5WQN
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BU of 5wqn by Molmil
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 (condition II)
Descriptor: Probable dehydrogenase
Authors:Li, S, Wang, Y, Bartlam, M.
Deposit date:2016-11-27
Release date:2017-10-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
8AET
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BU of 8aet by Molmil
Malonyl-CoA reductase from Chloroflexus aurantiacus - C-terminal E779W variant
Descriptor: SULFATE ION, Short-chain dehydrogenase/reductase SDR
Authors:Kabasakal, B.V, Murray, J.W.
Deposit date:2022-07-13
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dynamic lid domain of Chloroflexus aurantiacus Malonyl-CoA reductase controls the reaction.
Biochimie, 219, 2023
4IS3
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BU of 4is3 by Molmil
Crystal structure of a 3alpha-hydroxysteroid dehydrogenase (BaiA2) associated with secondary bile acid synthesis from Clostridium scindens VPI12708 in complex with a putative NAD(+)-OH- adduct at 2.0 A resolution
Descriptor: ACETATE ION, Bile acid 3-alpha hydroxysteroid dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-01-16
Release date:2013-04-24
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a 3alpha-hydroxysteroid dehydrogenase (BaiA2) associated with secondary bile acid synthesis from Clostridium scindens VPI12708 in complex with a putative NAD(+)-OH- adduct at 2.0 A resolution
To be published
3VZQ
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BU of 3vzq by Molmil
Crystal structure of Q47L mutant of PhaB from Ralstonia eutropha
Descriptor: Acetoacetyl-CoA reductase
Authors:Ikeda, K, Tanaka, Y, Tanaka, I, Yao, M.
Deposit date:2012-10-15
Release date:2013-08-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Directed evolution and structural analysis of NADPH-dependent Acetoacetyl Coenzyme A (Acetoacetyl-CoA) reductase from Ralstonia eutropha reveals two mutations responsible for enhanced kinetics
Appl.Environ.Microbiol., 79, 2013
3KZV
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BU of 3kzv by Molmil
The crystal structure of a cytoplasmic protein with unknown function from Saccharomyces cerevisiae
Descriptor: GLYCEROL, Uncharacterized oxidoreductase YIR035C
Authors:Zhang, R, Xu, X, Cui, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-12-08
Release date:2010-03-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of a cytoplasmic protein with unknown function from Saccharomyces cerevisiae
To be Published
4Y9D
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BU of 4y9d by Molmil
Crystal structure of LigD in complex with NADH from Sphingobium sp. strain SYK-6
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C alpha-dehydrogenase
Authors:Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D.
Deposit date:2015-02-17
Release date:2016-03-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.012 Å)
Cite:Structural and Biochemical Characterization of the Early and Late Enzymes in the Lignin beta-Aryl Ether Cleavage Pathway from Sphingobium sp. SYK-6.
J.Biol.Chem., 291, 2016
2Q2Q
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BU of 2q2q by Molmil
Structure of D-3-Hydroxybutyrate Dehydrogenase from Pseudomonas putida
Descriptor: Beta-D-hydroxybutyrate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
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 (2.02 Å)
Cite:Cosubstrate-induced dynamics of D-3-hydroxybutyrate dehydrogenase from Pseudomonas putida.
Febs J., 274, 2007
7LG9
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BU of 7lg9 by Molmil
ChsB1
Descriptor: 3-ketoacyl-ACP reductase
Authors:Yuan, T, Werman, J.M, Yin, X, Yang, M, Garcia-Diaz, M, Sampson, N.S.
Deposit date:2021-01-19
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Enzymatic beta-Oxidation of the Cholesterol Side Chain in Mycobacterium tuberculosis Bifurcates Stereospecifically at Hydration of 3-Oxo-cholest-4,22-dien-24-oyl-CoA.
Acs Infect Dis., 7, 2021

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