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3HB4
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17beta-hydroxysteroid dehydrogenase type1 complexed with E2B
Descriptor: 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide, Estradiol 17-beta-dehydrogenase 1
Authors:Mazumdar, M, Fournier, D, Zhu, D.-W, Cadot, C, Poirier, D, Lin, S.-X.
Deposit date:2009-05-04
Release date:2009-12-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.21 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
3HB5
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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
3GY0
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BU of 3gy0 by Molmil
Crystal structure of putatitve short chain dehydrogenase FROM SHIGELLA FLEXNERI 2A STR. 301 complexed with NADP
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, dehydrogenase
Authors:Malashkevich, V.N, Toro, R, Morano, C, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-04-03
Release date:2009-04-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of putatitve short chain dehydrogenase FROM SHIGELLA FLEXNERI 2A STR. 301 complexed with NADP
To be Published
5B4T
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BU of 5b4t by Molmil
Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and a substrate D-3-hydroxybutyrate
Descriptor: (3R)-3-hydroxybutanoic acid, 3-hydroxybutyrate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A.
Deposit date:2016-04-19
Release date:2016-08-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Structural insights into the catalytic reaction trigger and inhibition of D-3-hydroxybutyrate dehydrogenase
Acta Crystallogr.,Sect.F, 72, 2016
5BT9
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Crystal Structure of FolM Alternative dihydrofolate reductase 1 from Brucella canis complexed with NADP
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-06-02
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of FolM alternative dihydrofolate reductase 1 from Brucella suis and Brucella canis.
Acta Crystallogr.,Sect.F, 78, 2022
3HFG
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BU of 3hfg by Molmil
Crystal Structure of Human 11-beta-hydroxysteroid-dehydrogenase Bound to an Sulfonyl-piperazine Inhibitor
Descriptor: (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1H-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bard, J, Svenson, K.
Deposit date:2009-05-11
Release date:2009-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Efficacious 11beta-hydroxysteroid dehydrogenase type I inhibitors in the diet-induced obesity mouse model.
J.Med.Chem., 52, 2009
5B4U
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BU of 5b4u by Molmil
Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and an inhibitor malonate
Descriptor: 3-hydroxybutyrate dehydrogenase, CHLORIDE ION, MALONIC ACID, ...
Authors:Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A.
Deposit date:2016-04-19
Release date:2016-08-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural insights into the catalytic reaction trigger and inhibition of D-3-hydroxybutyrate dehydrogenase
Acta Crystallogr.,Sect.F, 72, 2016
3I1J
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BU of 3i1j by Molmil
Structure of a putative short chain dehydrogenase from Pseudomonas syringae
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Singer, A.U, Evdokimova, E, Kudritska, M, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-06-26
Release date:2009-07-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a putative short chain dehydrogenase from Pseudomonas syringae
To be Published
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
3NYW
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BU of 3nyw by Molmil
Crystal Structure of a betaketoacyl-[ACP] reductase (FabG) from Bacteroides thetaiotaomicron
Descriptor: Putative oxidoreductase
Authors:Satyanarayana, L, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-07-15
Release date:2010-09-15
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal Structure of a betaketoacyl-[ACP] reductase (FabG) from Bacteroides thetaiotaomicron
To be Published
3WTC
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BU of 3wtc by Molmil
Crystal structure of Gox2036
Descriptor: Putative oxidoreductase
Authors:Yuan, Y.A, Lin, J.P.
Deposit date:2014-04-09
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of Gox0525
To be Published
4HWK
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BU of 4hwk by Molmil
Crystal structure of human sepiapterin reductase in complex with sulfapyridine
Descriptor: 4-amino-N-(pyridin-2-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Groenlund Pedersen, M, Pojer, F, Johnsson, K.
Deposit date:2012-11-08
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Tetrahydrobiopterin biosynthesis as an off-target of sulfa drugs.
Science, 340, 2013
3P19
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BU of 3p19 by Molmil
Improved NADPH-dependent Blue Fluorescent Protein
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative blue fluorescent protein
Authors:Kao, T.H, Chen, Y, Pai, C.H, Wang, A.H.J.
Deposit date:2010-09-30
Release date:2011-07-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of a NADPH-dependent blue fluorescent protein revealed the unique role of Gly176 on the fluorescence enhancement.
J.Struct.Biol., 174, 2011
3W8F
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BU of 3w8f by Molmil
Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and an inhibitor malonate
Descriptor: CHLORIDE ION, D-3-hydroxybutyrate dehydrogenase, MALONIC ACID, ...
Authors:Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A.
Deposit date:2013-03-12
Release date:2014-03-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:X-ray diffraction of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and malonate
To be Published
4IS2
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BU of 4is2 by Molmil
Crystal structure of the apo form of a 3alpha-hydroxysteroid dehydrogenase (BaiA2) associated with secondary bile acid synthesis from Clostridium scindens VPI12708 at 1.90 A resolution
Descriptor: Bile acid 3-alpha hydroxysteroid dehydrogenase, CHLORIDE ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-01-16
Release date:2013-04-03
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the apo form of a 3alpha-hydroxysteroid dehydrogenase (BaiA2) associated with secondary bile acid synthesis from Clostridium scindens VPI12708 at 1.90 A resolution
To be published
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
3PDJ
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BU of 3pdj by Molmil
Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with 4,4-Disubstituted Cyclohexylbenzamide Inhibitor
Descriptor: Corticosteroid 11-beta-dehydrogenase isozyme 1, N-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wang, Z, Sudom, A, Walker, N.P.
Deposit date:2010-10-22
Release date:2011-10-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis and Optimization of Novel 4,4-Disubstituted Cyclohexylbenzamide Derivatives as Potent 11beta-HSD1 Inhibitors
Bioorg.Med.Chem.Lett., 21, 2011
4J7X
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BU of 4j7x by Molmil
Crystal structure of human sepiapterin reductase in complex with sulfasalazine
Descriptor: 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Groenlund Pedersen, M, Pojer, F, Johnsson, K.
Deposit date:2013-02-14
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of human sepiapterin reductase in complex with sulfasalazine
To be Published
4J7U
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BU of 4j7u by Molmil
Crystal structure of human sepiapterin reductase in complex with sulfathiazole
Descriptor: 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Groenlund Pedersen, M, Pojer, F, Johnsson, K.
Deposit date:2013-02-14
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Tetrahydrobiopterin biosynthesis as an off-target of sulfa drugs.
Science, 340, 2013
3OEC
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BU of 3oec by Molmil
Crystal structure of carveol dehydrogenase from Mycobacterium thermoresistibile
Descriptor: Carveol dehydrogenase (MythA.01326.c, A0R518 homolog), SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-08-12
Release date:2010-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
4K26
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BU of 4k26 by Molmil
4,4-Dioxo-5,6-dihydro-[1,4,3]oxathiazines, a novel class of 11 -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, Vonderheyden, C, Engel, C.K.
Deposit date:2013-04-08
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.21 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
4K6C
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BU of 4k6c by Molmil
X-ray crystal structure of a putative Acetoacyl-CoA reductase from Burkholderia cenocepacia
Descriptor: 1,2-ETHANEDIOL, Acetoacetyl-CoA reductase, CHLORIDE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-04-15
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:X-ray crystal structure of a putative Acetoacyl-CoA reductase from Burkholderia cenocepacia
TO BE PUBLISHED
4K1L
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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
3OQ1
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BU of 3oq1 by Molmil
Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase-1 (11b-HSD1) in Complex with Diarylsulfone Inhibitor
Descriptor: 3-(2-fluoroethyl)-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wang, Z, Sudom, A, Walker, N.P.
Deposit date:2010-09-02
Release date:2011-07-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The synthesis and SAR of novel diarylsulfone 11beta-HSD1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
4IJW
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Crystal structure of 11b-HSD1 double mutant (L262R, F278E) in complex with 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine
Descriptor: 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sheriff, S.
Deposit date:2012-12-23
Release date:2014-06-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Optimization of 1,2,4-Triazolopyridines as Inhibitors of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 5, 2014

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