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3IOY
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BU of 3ioy by Molmil
Structure of putative short-chain dehydrogenase (Saro_0793) from Novosphingobium aromaticivorans
Descriptor: Short-chain dehydrogenase/reductase SDR
Authors:Ramagopal, U.A, Morano, C, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-08-15
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of putative short-chain dehydrogenase (Saro_0793) from Novosphingobium aromaticivorans
To be published
3IAH
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BU of 3iah by Molmil
Crystal Structure of Short Chain Dehydrogenase (yciK) from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 in Complex with NADP and Acetate.
Descriptor: ACETATE ION, CHLORIDE ION, ETHANOL, ...
Authors:Minasov, G, Halavaty, A, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-07-14
Release date:2009-07-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal Structure of Short Chain Dehydrogenase (yciK) from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 in Complex with NADP and Acetate.
TO BE PUBLISHED
3KM0
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BU of 3km0 by Molmil
17betaHSD1 in complex with 3beta-diol
Descriptor: 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL, Estradiol 17-beta-dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Mazumdar, M, Lin, S.-X.
Deposit date:2009-11-09
Release date:2010-11-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis of sex-steroid translation
To be Published
3KLM
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BU of 3klm by Molmil
17beta-HSD1 in complex with DHT
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Estradiol 17-beta-dehydrogenase 1, GLYCEROL
Authors:Mazumdar, M.
Deposit date:2009-11-08
Release date:2010-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:17beta-hydroxysteroid dehydrogenase type 1 stimulates breast cancer by dihydrotestosterone inactivation in addition to estradiol production.
Mol.Endocrinol., 24, 2010
3KLP
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BU of 3klp by Molmil
17beta-HSD1 in complex with A-diol
Descriptor: (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol, Estradiol 17-beta-dehydrogenase 1
Authors:Mazumdar, M, Lin, S.-X.
Deposit date:2009-11-08
Release date:2010-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis of sex-steroids: their translational activity
To be Published
3KVO
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BU of 3kvo by Molmil
Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2)
Descriptor: Hydroxysteroid dehydrogenase-like protein 2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Ugochukwu, E, Bhatia, C, Huang, J, Pilka, E, Muniz, J.R.C, Pike, A.C.W, Krojer, T, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Verdin, E.M, Oppermann, U, Kavanagh, K.L, Structural Genomics Consortium (SGC)
Deposit date:2009-11-30
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2)
To be Published
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
3L77
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BU of 3l77 by Molmil
X-ray structure alcohol dehydrogenase from archaeon Thermococcus sibiricus complexed with 5-hydroxy-NADP
Descriptor: 1,2-ETHANEDIOL, 5-hydroxy-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, GLYCEROL, ...
Authors:Lyashenko, A.V, Lashkov, A.A, Gabdoulkhakov, A.G, Mikhailov, A.M.
Deposit date:2009-12-28
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X-ray structure alcohol dehydrogenase from archaeon Thermococcus sibiricus complexed with 5-hydroxy-NADP
To be Published
2YUT
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BU of 2yut by Molmil
Crystal Structure of Putative Short-Chain Oxidoreductase TTHB094 from Thermus thermophilus HB8
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative short-chain oxidoreductase
Authors:Agari, Y, Shinkai, A, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-06
Release date:2007-10-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Putative Short-Chain Oxidoreductase TTHB094 from Thermus thermophilus HB8
To be Published
4WEO
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BU of 4weo by Molmil
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
6I6F
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BU of 6i6f by Molmil
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 1
Descriptor: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Sepiapterin reductase, ...
Authors:Alen, J, Schade, M, Wagener, M, Blaesse, M.
Deposit date:2018-11-15
Release date:2019-07-10
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.
J.Med.Chem., 62, 2019
6I6V
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BU of 6i6v by Molmil
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 6
Descriptor: 1,2-ETHANEDIOL, 2-[[(3~{R})-oxan-3-yl]methylsulfonyl]-2-azaspiro[4.5]decane, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Alen, J, Schade, M, Wagener, M, Blaesse, M.
Deposit date:2018-11-15
Release date:2019-07-10
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.
J.Med.Chem., 62, 2019
2YZ7
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BU of 2yz7 by Molmil
X-ray analyses of 3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis
Descriptor: CALCIUM ION, CHLORIDE ION, D-3-hydroxybutyrate dehydrogenase
Authors:Hoque, M.M, Juan, E.C.M, Shimizu, S, Hossain, M.T, Takenaka, A.
Deposit date:2007-05-04
Release date:2008-04-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The structures of Alcaligenes faecalisD-3-hydroxybutyrate dehydrogenase before and after NAD(+) and acetate binding suggest a dynamical reaction mechanism as a member of the SDR family.
Acta Crystallogr.,Sect.D, 64, 2008
6I6P
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BU of 6i6p by Molmil
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 3
Descriptor: 1,2-ETHANEDIOL, 6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Alen, J, Schade, M, Wagener, M, Blaesse, M.
Deposit date:2018-11-15
Release date:2019-07-10
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.
J.Med.Chem., 62, 2019
6I6C
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BU of 6i6c by Molmil
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 2
Descriptor: (1~{R},2~{S},4~{S})-~{N}-(3-chloranyl-4-cyano-phenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide, 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Alen, J, Schade, M, Wagener, M, Blaesse, M.
Deposit date:2018-11-15
Release date:2019-07-10
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.
J.Med.Chem., 62, 2019
5PGU
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BU of 5pgu by Molmil
CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone
Descriptor: 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone, 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
5PGV
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BU of 5pgv by Molmil
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
7YPD
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BU of 7ypd by Molmil
Discovery and characterization of a new carbonyl reductase from Rhodotorula toluroides reducing fluoroketones, and X-ray analysis of the variant by rational engineering
Descriptor: Carbonyl reductase, MAGNESIUM ION
Authors:Watanabe, Y, Asano, Y, Hibi, M.
Deposit date:2022-08-03
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Discovery and characterization of a new carbonyl reductase from Rhodotorula toluroides reducing fluoroketones, and X-ray analysis of the variant by rational engineering
To Be Published
4XGN
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BU of 4xgn by Molmil
Crystal structure of 3-hydroxyacyl-CoA dehydrogenase in complex with NAD from Burkholderia thailandensis
Descriptor: 1,2-ETHANEDIOL, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-12-31
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of 3-hydroxyacyl-CoA dehydrogenase in complex with NAD from Burkholderia thailandensis
to be published
6IXJ
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BU of 6ixj by Molmil
The crystal structure of sulfoacetaldehyde reductase from Klebsiella oxytoca
Descriptor: 2-hydroxyethylsulfonic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Sulfoacetaldehyde reductase
Authors:Zhou, Y, Xu, T, Lin, L, Zhang, Y, Yuchi, Z.
Deposit date:2018-12-10
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Biochemical and structural investigation of sulfoacetaldehyde reductase fromKlebsiella oxytoca.
Biochem. J., 476, 2019
2Y93
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BU of 2y93 by Molmil
Crystal Structure of cis-Biphenyl-2,3-dihydrodiol-2,3-dehydrogenase (BphB)from Pandoraea pnomenusa strain B-356.
Descriptor: CIS-2,3-DIHYDROBIPHENYL-2,3-DIOL DEHYDROGENASE
Authors:Dhindwal, S, Patil, D.N, Kumar, P.
Deposit date:2011-02-11
Release date:2011-08-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Biochemical Studies and Ligand-Bound Structures of Biphenyl Dehydrogenase from Pandoraea Pnomenusa Strain B-356 Reveal a Basis for Broad Specificity of the Enzyme.
J.Biol.Chem., 286, 2011
8A7S
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BU of 8a7s by Molmil
Malonyl-CoA reductase from Chloroflexus aurantiacus - C-terminal NADP bound
Descriptor: MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR
Authors:Kabasakal, B.V, Murray, J.W.
Deposit date:2022-06-21
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.542 Å)
Cite:Dynamic lid domain of Chloroflexus aurantiacus Malonyl-CoA reductase controls the reaction.
Biochimie, 219, 2023
8A8T
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BU of 8a8t by Molmil
Malonyl-CoA reductase from Chloroflexus aurantiacus - C-terminal NADP and malonate bound
Descriptor: MALONATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR
Authors:Kabasakal, B.V, Murray, J.W.
Deposit date:2022-06-24
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Dynamic lid domain of Chloroflexus aurantiacus Malonyl-CoA reductase controls the reaction.
Biochimie, 219, 2023
8A30
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BU of 8a30 by Molmil
Malonyl-CoA reductase from Chloroflexus aurantiacus - C-terminal Apo
Descriptor: MAGNESIUM ION, Short-chain dehydrogenase/reductase SDR
Authors:Kabasakal, B.V, Murray, J.W.
Deposit date:2022-06-06
Release date:2023-04-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Dynamic lid domain of Chloroflexus aurantiacus Malonyl-CoA reductase controls the reaction.
Biochimie, 219, 2023
4XWY
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BU of 4xwy by Molmil
Crystal structure of human sepiapterin reductase in complex with an N-acetylserotinin analogue
Descriptor: N-[2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl]-2-methoxyacetamide, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
Authors:Johnsson, K, Hovius, R, Gorszka, K.I, Pojer, F.
Deposit date:2015-01-29
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Reduction of Neuropathic and Inflammatory Pain through Inhibition of the Tetrahydrobiopterin Pathway.
Neuron, 86, 2015

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PDB entries from 2024-07-10

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