PDB: 367 件ウェブページステータス検索Chemie searchBIRD

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4N5N	Crystal structure of (R)-3-hydroxybutyryl-CoA dehydrogenase from Ralstonia eutropha in complexed with NADP 分子名称: Acetoacetyl-CoA reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Kim, J.-E, Kim, S, Kim, K.-J. 登録日 2013-10-10 公開日 2013-12-11 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of (R)-3-hydroxybutyryl-CoA dehydrogenase PhaB from Ralstonia eutropha Biochem.Biophys.Res.Commun., 443, 2014
4C7J	11b-Hydroxysteroid Dehydrogenase Type I in complex with inhibitor 分子名称: 4-cyclopropyl-2-(2-hydroxyethyloxy)-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-1,3-thiazole-5-carboxamide, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Goldberg, F.W, Dossetter, A.G, Scott, J.S, Robb, G.R, Boyd, S, Groombridge, S.D, Kemmitt, P.D, Sjogren, T, Morentin Gutierrez, P, de Schoolmeester, J, Swales, J.G, Turnbull, A.V, Wild, M.J. 登録日 2013-09-23 公開日 2014-09-03 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 Optimization of Brain Penetrant 11Beta-Hydroxysteroid Dehydrogenase Type I Inhibitors and in Vivo Testing in Diet- Induced Obese Mice. J.Med.Chem., 57, 2014
4C7K	11b-Hydroxysteroid Dehydrogenase Type I in complex with inhibitor 分子名称: 2-ethyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-4-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Goldberg, F.W, Dossetter, A.G, Scott, J.S, Robb, G.R, Boyd, S, Groombridge, S.D, Kemmitt, P.D, Sjogren, T, Morentin Gutierrez, P, de Schoolmeester, J, Swales, J.G, Turnbull, A.V, Wild, M.J. 登録日 2013-09-23 公開日 2014-03-05 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Optimization of Brain Penetrant 11Beta-Hydroxysteroid Dehydrogenase Type I Inhibitors and in Vivo Testing in Diet- Induced Obese Mice. J.Med.Chem., 57, 2014
4KZP	Crystal Structure of a Putative Short Chain Dehydrogenase from Mycobacterium smegmatis 分子名称: 1,2-ETHANEDIOL, GLYCEROL, Oxidoreductase, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2013-05-30 公開日 2013-07-24 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Crystal Structure of a Putative Short Chain Dehydrogenase from Mycobacterium smegmatis To be Published
4BMV	Short-chain dehydrogenase from Sphingobium yanoikuyae in complex with NADPH 分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SHORT-CHAIN DEHYDROGENASE 著者 Man, H, Kedziora, K, Lavandera-Garcia, I, Gotor-Fernandez, V, Grogan, G. 登録日 2013-05-10 公開日 2014-03-19 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structures of Alcohol Dehydrogenases from Ralstonia and Sphingobium Spp. Reveal the Molecular Basis for Their Recognition of 'Bulky-Bulky' Ketones Top.Catal., 57, 2014
4K6C	X-ray crystal structure of a putative Acetoacyl-CoA reductase from Burkholderia cenocepacia 分子名称: 1,2-ETHANEDIOL, Acetoacetyl-CoA reductase, CHLORIDE ION 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2013-04-15 公開日 2013-05-22 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 X-ray crystal structure of a putative Acetoacyl-CoA reductase from Burkholderia cenocepacia TO BE PUBLISHED
4K6F	X-ray crystal structure of a putative Acetoacetyl-CoA reductase from Burkholderia cenocepacia bound to the co-factor NADP 分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative Acetoacetyl-CoA reductase 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2013-04-15 公開日 2013-05-15 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 X-ray crystal structure of a putative Acetoacetyl-CoA reductase from Burkholderia cenocepacia bound to the co-factor NADP TO BE PUBLISHED
4K26	4,4-Dioxo-5,6-dihydro-[1,4,3]oxathiazines, a novel class of 11 -HSD1 inhibitors for the treatment of diabetes 分子名称: (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, ... 著者 Loenze, P, Schimanski-Breves, S, Vonderheyden, C, Engel, C.K. 登録日 2013-04-08 公開日 2014-04-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 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
4K1L	4,4-Dioxo-5,6-dihydro-[1,4,3]oxathiazines, a novel class of 11 beta-HSD1 inhibitors for the treatment of diabetes 分子名称: (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 著者 Loenze, P, Schimanski-Breves, S, Von der Heyden, C, Engel, C.K. 登録日 2013-04-05 公開日 2014-04-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 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
3W8D	Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and an inhibitor methylmalonate 分子名称: CHLORIDE ION, D-3-hydroxybutyrate dehydrogenase, METHYLMALONIC ACID, ... 著者 Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A. 登録日 2013-03-12 公開日 2014-03-12 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 X-ray diffraction of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and methylmalonate To be Published
3W8F	Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and an inhibitor malonate 分子名称: CHLORIDE ION, D-3-hydroxybutyrate dehydrogenase, MALONIC ACID, ... 著者 Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A. 登録日 2013-03-12 公開日 2014-03-12 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 X-ray diffraction of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and malonate To be Published
3W8E	Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and a substrate D-3-hydroxybutyrate 分子名称: (3R)-3-hydroxybutanoic acid, D-3-hydroxybutyrate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A. 登録日 2013-03-12 公開日 2014-03-12 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 High resolution X-ray diffraction of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and D-3-hydroxybutyrate To be Published
4J7U	Crystal structure of human sepiapterin reductase in complex with sulfathiazole 分子名称: 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Groenlund Pedersen, M, Pojer, F, Johnsson, K. 登録日 2013-02-14 公開日 2013-06-05 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.44 Å) 主引用文献 Tetrahydrobiopterin biosynthesis as an off-target of sulfa drugs. Science, 340, 2013
4J7X	Crystal structure of human sepiapterin reductase in complex with sulfasalazine 分子名称: 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Groenlund Pedersen, M, Pojer, F, Johnsson, K. 登録日 2013-02-14 公開日 2014-02-19 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Crystal structure of human sepiapterin reductase in complex with sulfasalazine To be Published
4IS2	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 分子名称: Bile acid 3-alpha hydroxysteroid dehydrogenase, CHLORIDE ION 著者 Joint Center for Structural Genomics (JCSG) 登録日 2013-01-16 公開日 2013-04-03 最終更新日 2023-02-01 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 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	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 分子名称: ACETATE ION, Bile acid 3-alpha hydroxysteroid dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Joint Center for Structural Genomics (JCSG) 登録日 2013-01-16 公開日 2013-04-24 最終更新日 2023-02-01 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 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
4IMR	Crystal structure of 3-oxoacyl (acyl-carrier-protein) reductase (target EFI-506442) from agrobacterium tumefaciens C58 with NADP bound 分子名称: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, UNKNOWN LIGAND 著者 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) 登録日 2013-01-03 公開日 2013-01-16 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Crystal Structure of 3-Oxoacyl (Acyl-Carrier-Protein) Reductase Atu5465 from Agrobacterium Tumefaciens To be Published
4IJV	Crystal structure of 11b-HSD1 double mutant (L262R, F278E) in complex with 3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine 分子名称: 3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Sheriff, S. 登録日 2012-12-23 公開日 2014-06-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 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
4IJW	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 分子名称: 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 著者 Sheriff, S. 登録日 2012-12-23 公開日 2014-06-11 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 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
4IJU	Crystal structure of 11b-HSD1 double mutant (L262R, F278E) in complex with (1S,4S)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol 分子名称: (1s,4s)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol, CHLORIDE ION, Corticosteroid 11-beta-dehydrogenase isozyme 1, ... 著者 Sheriff, S. 登録日 2012-12-23 公開日 2014-06-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 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
4HX5	Crystal structure of 11 beta-HSD1 in complex with SAR184841 分子名称: 4-[5-(4-tert-butylpiperazin-1-yl)pyridin-2-yl]-N-[(1R,2S,3S,5S,7s)-5-carbamoyltricyclo[3.3.1.1~3,7~]dec-2-yl]-3,4-dihydroquinoxaline-1(2H)-carboxamide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Loenze, P, Schimanski-Breves, S, Engel, C.K. 登録日 2012-11-09 公開日 2013-05-08 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Discovery of SAR184841, a potent and long-lasting inhibitor of 11beta-hydroxysteroid dehydrogenase type 1, active in a physiopathological animal model of T2D Bioorg.Med.Chem.Lett., 23, 2013
4HWK	Crystal structure of human sepiapterin reductase in complex with sulfapyridine 分子名称: 4-amino-N-(pyridin-2-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Groenlund Pedersen, M, Pojer, F, Johnsson, K. 登録日 2012-11-08 公開日 2013-06-05 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Tetrahydrobiopterin biosynthesis as an off-target of sulfa drugs. Science, 340, 2013
3VZR	Crystal structure of T173S mutant of PhaB from Ralstonia eutropha 分子名称: Acetoacetyl-CoA reductase 著者 Ikeda, K, Tanaka, Y, Tanaka, I, Yao, M. 登録日 2012-10-15 公開日 2013-08-28 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.901 Å) 主引用文献 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
3VZQ	Crystal structure of Q47L mutant of PhaB from Ralstonia eutropha 分子名称: Acetoacetyl-CoA reductase 著者 Ikeda, K, Tanaka, Y, Tanaka, I, Yao, M. 登録日 2012-10-15 公開日 2013-08-28 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 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
3VZP	Crystal structure of PhaB from Ralstonia eutropha 分子名称: 1,4-DIETHYLENE DIOXIDE, Acetoacetyl-CoA reductase, GLYCEROL, ... 著者 Ikeda, K, Tanaka, Y, Tanaka, I, Yao, M. 登録日 2012-10-15 公開日 2013-08-28 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.792 Å) 主引用文献 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

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