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2RHR
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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
2RHC
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Actinorhodin ketordeuctase, actKR, with NADP+ and Inhibitor Emodin
Descriptor: 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, Actinorhodin Polyketide Ketoreductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Korman, T.P, Tsai, S.-C.
Deposit date:2007-10-08
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition kinetics and emodin cocrystal structure of a type II polyketide ketoreductase
Biochemistry, 47, 2008
2RH4
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Actinorhodin ketoreductase, actKR, 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:2007-10-05
Release date:2008-08-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Inhibition kinetics and emodin cocrystal structure of a type II polyketide ketoreductase
Biochemistry, 47, 2008
2RBE
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The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors
Descriptor: (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, J, Jordan, S.R, Li, V.
Deposit date:2007-09-18
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2QQ5
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Crystal structure of human SDR family member 1
Descriptor: Dehydrogenase/reductase SDR family member 1
Authors:Pilka, E.S, Hozjan, V, Ugochukwu, E, von Delft, F, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2007-07-26
Release date:2007-08-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human SDR family member 1.
TO BE PUBLISHED
2Q2V
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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 (1.9 Å)
Cite:Cosubstrate-induced dynamics of D-3-hydroxybutyrate dehydrogenase from Pseudomonas putida.
Febs J., 274, 2007
2Q2Q
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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
2Q2W
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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
2YZ7
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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
2YUT
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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
2PFG
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BU of 2pfg by Molmil
Crystal structure of human CBR1 in complex with BiGF2.
Descriptor: (5R,10S)-5-{[(CARBOXYMETHYL)AMINO]CARBONYL}-7-OXO-3-THIA-1,6-DIAZABICYCLO[4.4.1]UNDECANE-10-CARBOXYLIC ACID, CHLORIDE ION, Carbonyl reductase [NADPH] 1, ...
Authors:Rauh, D, Bateman, R.L, Shokat, K.M.
Deposit date:2007-04-04
Release date:2007-09-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Glutathione traps formaldehyde by formation of a bicyclo[4.4.1]undecane adduct.
Org.Biomol.Chem., 5, 2007
2EHD
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BU of 2ehd by Molmil
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
2JAP
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BU of 2jap by Molmil
Clavulanic Acid Dehydrogenase: Structural and Biochemical Analysis of the Final Step in the Biosynthesis of the beta-Lactamase Inhibitor Clavulanic acid
Descriptor: (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, CLAVALDEHYDE DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:MacKenzie, A.K, Kershaw, N.J, Hernandez, H, Robinson, C.V, Schofield, C.J, Andersson, I.
Deposit date:2006-11-29
Release date:2007-02-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Clavulanic Acid Dehydrogenase: Structural and Biochemical Analysis of the Final Step in the Biosynthesis of the Beta-Lactamase Inhibitor Clavulanic Acid
Biochemistry, 46, 2007
2O23
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The structure of wild-type human HADH2 (17beta-hydroxysteroid dehydrogenase type 10) bound to NAD+ at 1.2 A
Descriptor: GLYCEROL, HADH2 protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kavanagh, K.L, Shafqat, N, Scholer, K, Debreczeni, J, Zschocke, J, von Delft, F, Weigelt, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2006-11-29
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The structure of wild-type human HADH2 (17beta-hydroxysteroid dehydrogenase type 10) bound to NAD+ at 1.2 A
To be Published
2JAH
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Biochemical and structural analysis of the Clavulanic acid dehydeogenase (CAD) from Streptomyces clavuligerus
Descriptor: CLAVULANIC ACID DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:MacKenzie, A.K, Kershaw, N.J, Hernandez, H, Robinson, C.V, Schofield, C.J, Andersson, I.
Deposit date:2006-11-28
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Clavulanic Acid Dehydrogenase: Structural and Biochemical Analysis of the Final Step in the Biosynthesis of the Beta-Lactamase Inhibitor Clavulanic Acid
Biochemistry, 46, 2007
2NWQ
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Short chain dehydrogenase from Pseudomonas aeruginosa
Descriptor: Probable short-chain dehydrogenase, SULFATE ION
Authors:McGrath, T.E, Kimber, M.S, Beattie, B, Thambipillai, D, Dharamsi, A, Virag, C, Nethery-Brokx, K, Edwards, A.M, Pai, E.F, Chirgadze, N.Y.
Deposit date:2006-11-16
Release date:2006-11-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Short chain dehydrogenase from Pseudomonas aeruginosa
To be Published
2IRW
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BU of 2irw by Molmil
Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Ether Inhibitor
Descriptor: (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Longenecker, K.L, Patel, J.R, Russell, J, Qin, W.
Deposit date:2006-10-16
Release date:2007-01-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of adamantane ethers as inhibitors of 11beta-HSD-1: Synthesis and biological evaluation.
Bioorg.Med.Chem.Lett., 17, 2007
2ILT
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BU of 2ilt by Molmil
Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Sulfone Inhibitor
Descriptor: 2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Longenecker, K.L, Sorensen, B, Judge, R, Qin, W, Link, J.T.
Deposit date:2006-10-03
Release date:2007-04-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Adamantane sulfone and sulfonamide 11-beta-HSD1 Inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2HRB
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BU of 2hrb by Molmil
Crystal Structure of human Carbonyl Reductase 3, complexed with NADP+
Descriptor: Carbonyl reductase [NADPH] 3, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Pilka, E.S, Structural Genomics Consortium (SGC)
Deposit date:2006-07-20
Release date:2006-08-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of human Carbonyl Reductase 3, complexed with NADP+
To be Published
2DKN
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BU of 2dkn by Molmil
Crystal structure of the 3-alpha-hydroxysteroid dehydrogenase from Pseudomonas sp. B-0831 complexed with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-alpha-hydroxysteroid dehydrogenase
Authors:Nakamura, S.
Deposit date:2006-04-12
Release date:2006-08-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Apo- and Holo-structures of 3{alpha}-Hydroxysteroid Dehydrogenase from Pseudomonas sp. B-0831: LOOP-HELIX TRANSITION INDUCED BY COENZYME BINDING
J.Biol.Chem., 281, 2006
2GDZ
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BU of 2gdz by Molmil
Crystal structure of 15-hydroxyprostaglandin dehydrogenase type1, complexed with NAD+
Descriptor: NAD+-dependent 15-hydroxyprostaglandin dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Pilka, E.S, Guo, K, Kavanagh, K, Von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2006-03-17
Release date:2006-04-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:High-Affinity Inhibitors of Human NAD-Dependent 15-Hydroxyprostaglandin Dehydrogenase: Mechanisms of Inhibition and Structure-Activity Relationships.
Plos One, 5, 2010
2CDH
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ARCHITECTURE OF THE THERMOMYCES LANUGINOSUS FUNGAL FATTY ACID SYNTHASE AT 5 ANGSTROM RESOLUTION.
Descriptor: DEHYDRATASE, ENOYL REDUCTASE, KETOACYL REDUCTASE, ...
Authors:Jenni, S, Leibundgut, M, Maier, T, Ban, N.
Deposit date:2006-01-24
Release date:2006-03-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Architecture of a Fungal Fatty Acid Synthase at 5 A Resolution.
Science, 311, 2006
2ET6
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BU of 2et6 by Molmil
(3R)-Hydroxyacyl-CoA Dehydrogenase Domain of Candida tropicalis Peroxisomal Multifunctional Enzyme Type 2
Descriptor: (3R)-hydroxyacyl-CoA dehydrogenase
Authors:Ylianttila, M.S, Hiltunen, J.K, Glumoff, T.
Deposit date:2005-10-27
Release date:2006-05-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal Structure of Yeast Peroxisomal Multifunctional Enzyme: Structural Basis for Substrate Specificity of (3R)-hydroxyacyl-CoA Dehydrogenase Units.
J.Mol.Biol., 358, 2006
2BD0
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BU of 2bd0 by Molmil
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
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

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