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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
9JDQ
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BU of 9jdq by Molmil
Crystal structure of reductase EA
Descriptor: Oxidoreductase
Authors:Tang, J, Liuqing, C.
Deposit date:2024-09-01
Release date:2024-09-18
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:crystal structure of reductase LSADH
To Be Published
5O98
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BU of 5o98 by Molmil
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
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
2RHR
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BU of 2rhr by Molmil
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
2C07
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BU of 2c07 by Molmil
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
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
6NJ7
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BU of 6nj7 by Molmil
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
7ULH
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BU of 7ulh by Molmil
Crystal Structure of a Short chain dehydrogenase from Mycobacterium avium 104
Descriptor: Short chain dehydrogenase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-04-04
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Crystal Structure of a Short chain dehydrogenase from Mycobacterium avium 104
to be published
7JK9
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BU of 7jk9 by Molmil
Helical filaments of plant light-dependent protochlorophyllide oxidoreductase (LPOR) bound to NADPH, Pchlide, and membrane
Descriptor: 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Protochlorophyllide, ...
Authors:Nguyen, H.C, Gabruk, M, Frost, A.
Deposit date:2020-07-28
Release date:2021-03-17
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Photocatalytic LPOR forms helical lattices that shape membranes for chlorophyll synthesis.
Nat.Plants, 7, 2021
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
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
5WQO
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BU of 5wqo by Molmil
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition I)
Descriptor: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 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 (1.78 Å)
Cite:Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
5WQP
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BU of 5wqp by Molmil
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition II)
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NICOTINAMIDE, PHOSPHATE ION, ...
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 (1.7 Å)
Cite:Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
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
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
5WQM
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BU of 5wqm by Molmil
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 (condition I)
Descriptor: Probable dehydrogenase, SODIUM ION
Authors:Li, S, Wang, Y, Bartlam, M.
Deposit date:2016-11-27
Release date:2018-07-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
3V8B
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BU of 3v8b by Molmil
Crystal Structure of a 3-ketoacyl-ACP reductase from Sinorhizobium meliloti 1021
Descriptor: Putative dehydrogenase, possibly 3-oxoacyl-[acyl-carrier protein] reductase
Authors:Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-12-22
Release date:2012-01-11
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of a 3-ketoacyl-ACP reductase from Sinorhizobium meliloti 1021
To be Published
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
3LZ6
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BU of 3lz6 by Molmil
Guinea Pig 11beta hydroxysteroid dehydrogenase with PF-877423
Descriptor: Corticosteroid 11-beta-dehydrogenase isozyme 1, N-adamantan-2-yl-1-ethyl-D-prolinamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Pauly, T.A.
Deposit date:2010-03-01
Release date:2011-05-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The development and SAR of pyrrolidine carboxamide 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3VZR
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BU of 3vzr by Molmil
Crystal structure of T173S 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 (2.901 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
1OAA
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BU of 1oaa by Molmil
MOUSE SEPIAPTERIN REDUCTASE COMPLEXED WITH NADP AND OXALOACETATE
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXALOACETATE ION, SEPIAPTERIN REDUCTASE, ...
Authors:Auerbach, G, Herrmann, A, Bacher, A, Huber, R.
Deposit date:1997-08-25
Release date:1999-02-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The 1.25 A crystal structure of sepiapterin reductase reveals its binding mode to pterins and brain neurotransmitters.
EMBO J., 16, 1997
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
5ILO
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BU of 5ilo by Molmil
Crystal structure of photoreceptor dehydrogenase from Drosophila melanogaster
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Photoreceptor dehydrogenase, isoform C
Authors:Hofmann, L, Tsybovsky, Y, Banerjee, S.
Deposit date:2016-03-04
Release date:2016-11-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural Insights into the Drosophila melanogaster Retinol Dehydrogenase, a Member of the Short-Chain Dehydrogenase/Reductase Family.
Biochemistry, 55, 2016
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

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