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

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8HI6	Crystal structure of the NADP+ and MSA bound N terminal domain of bi-functional malonyl-CoA reductase from Roseiflexus castenholzii 分子名称: 3-oxidanylidenepropanoic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR 著者 Zhang, X, Wu, W.P, Xu, X. 登録日 2022-11-18 公開日 2023-05-31 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural basis of a bi-functional malonyl-CoA reductase (MCR) from the photosynthetic green non-sulfur bacterium Roseiflexus castenholzii. Mbio, 14, 2023
5B4V	Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and an inhibitor methylmalonate 分子名称: 3-hydroxybutyrate dehydrogenase, CHLORIDE ION, METHYLMALONIC ACID, ... 著者 Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A. 登録日 2016-04-19 公開日 2016-08-17 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural insights into the catalytic reaction trigger and inhibition of D-3-hydroxybutyrate dehydrogenase Acta Crystallogr.,Sect.F, 72, 2016
5PGU	CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone 分子名称: 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Sheriff, S. 登録日 2017-02-06 公開日 2017-11-01 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 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
5PGX	CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-(2-BENZYL-6-HYDROXYADAMANTAN-2-YL)-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE 分子名称: 2-(2-BENZYL-6-HYDROXYADAMANTAN-2-YL)-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Sheriff, S. 登録日 2017-02-06 公開日 2017-11-01 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 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
5B4T	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, 3-hydroxybutyrate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A. 登録日 2016-04-19 公開日 2016-08-17 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.19 Å) 主引用文献 Structural insights into the catalytic reaction trigger and inhibition of D-3-hydroxybutyrate dehydrogenase Acta Crystallogr.,Sect.F, 72, 2016
5PGY	CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE (BMS-816336) 分子名称: 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Sheriff, S. 登録日 2017-02-06 公開日 2017-11-01 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 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
5BT9	Crystal Structure of FolM Alternative dihydrofolate reductase 1 from Brucella canis complexed with NADP 分子名称: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2015-06-02 公開日 2015-07-29 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystal structures of FolM alternative dihydrofolate reductase 1 from Brucella suis and Brucella canis. Acta Crystallogr.,Sect.F, 78, 2022
5B4U	Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and an inhibitor malonate 分子名称: 3-hydroxybutyrate dehydrogenase, CHLORIDE ION, MALONIC ACID, ... 著者 Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A. 登録日 2016-04-19 公開日 2016-08-17 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Structural insights into the catalytic reaction trigger and inhibition of D-3-hydroxybutyrate dehydrogenase Acta Crystallogr.,Sect.F, 72, 2016
5PGZ	CRYSTAL STRUCTURE OF MURINE 11BETA- HYDROXYSTEROIDDEHYDROGENASE COMPLEXED WITH 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE (BMS-816336) 分子名称: 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Sheriff, S. 登録日 2017-02-06 公開日 2017-11-01 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 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
1IOL	ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE COMPLEXED 17-BETA-ESTRADIOL 分子名称: ESTRADIOL, ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE 著者 Azzi, A, Rehse, P.H, Zhu, D.-W, Campbell, R.L, Labrie, F, Lin, S.-X. 登録日 1996-06-20 公開日 1997-07-07 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structure of human estrogenic 17 beta-hydroxysteroid dehydrogenase complexed with 17 beta-estradiol. Nat.Struct.Biol., 3, 1996
6D9Y	Crystal structure of a short chain dehydrogenase/reductase SDR from Burkholderia phymatum with partially occupied NAD 分子名称: 1,2-ETHANEDIOL, FORMIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2018-04-30 公開日 2018-06-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Crystal structure of a short chain dehydrogenase/reductase SDR from Burkholderia phymatum with partially occupied NAD To be Published
6DTP	CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 COMPLEXED WITH EM139 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Estradiol 17-beta-dehydrogenase 1, ... 著者 Li, T, Lin, S.X. 登録日 2018-06-18 公開日 2018-09-12 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 COMPLEXED WITH Dual-Site Inhibitor EM-139 Health, 2018
1HDC	MECHANISM OF INHIBITION OF 3ALPHA,20BETA-HYDROXYSTEROID DEHYDROGENASE BY A LICORICE-DERIVED STEROIDAL INHIBITOR 分子名称: 3-ALPHA, 20 BETA-HYDROXYSTEROID DEHYDROGENASE, CARBENOXOLONE 著者 Ghosh, D. 登録日 1994-10-21 公開日 1995-02-07 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Mechanism of inhibition of 3 alpha, 20 beta-hydroxysteroid dehydrogenase by a licorice-derived steroidal inhibitor. Structure, 2, 1994
1JTV	Crystal structure of 17beta-Hydroxysteroid Dehydrogenase Type 1 complexed with Testosterone 分子名称: 17 beta-hydroxysteroid dehydrogenase type 1, GLYCEROL, TESTOSTERONE 著者 Shi, R, Nahoum, V, Lin, S.X. 登録日 2001-08-22 公開日 2003-06-24 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Pseudo-symmetry of C19 steroids, alternative binding orientations, and multispecificity in human estrogenic 17beta-hydroxysteroid dehydrogenase. FASEB J., 17, 2003
6R48	Crystal structure of LPOR (Synechocystis) complexed with NADPH at 1.87A resolution. 分子名称: CHLORIDE ION, Light-dependent protochlorophyllide reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Zhou, A, Feng, L. 登録日 2019-03-22 公開日 2019-10-30 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis. Nature, 574, 2019
6CGC	Crystal structure of human 17beta-HSD type 1 in ternary complex with 2-MeO-CC-156 and NADP+ 分子名称: 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxy-2-methoxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide, Estradiol 17-beta-dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Li, T, Lin, S.X. 登録日 2018-02-19 公開日 2019-01-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Combined Biophysical Chemistry Reveals a New Covalent Inhibitor with a Low-Reactivity Alkyl Halide. J Phys Chem Lett, 9, 2018
6RNW	The crystal structure of Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR) in complex with NADP. 分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-protochlorophyllide oxidoreductase 著者 Levy, C.W. 登録日 2019-05-09 公開日 2019-10-30 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis. Nature, 574, 2019
1I5R	TYPE 1 17-BETA HYDROXYSTEROID DEHYDROGENASE EM1745 COMPLEX 分子名称: GLYCEROL, O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE, TYPE 1 17 BETA-HYDROXYSTEROID DEHYDROGENASE 著者 Qiu, W, Campbell, R.L, Boivin, P, Poirier, D, Lin, S.-X. 登録日 2001-02-28 公開日 2003-03-11 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 A concerted, rational design of type 1 17beta-hydroxysteroid dehydrogenase inhibitors: estradiol-adenosine hybrids with high affinity FASEB J., 16, 2002
6CGE	Crystal structure of human 17beta-HSD type 1 in ternary complex with PBRM and NADP+ 分子名称: 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 著者 Li, T, Lin, S.X. 登録日 2018-02-20 公開日 2019-01-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Combined Biophysical Chemistry Reveals a New Covalent Inhibitor with a Low-Reactivity Alkyl Halide. J Phys Chem Lett, 9, 2018
6R46	Crystal structure of LPOR (Thermosynechococcus elongatus) complexed with NADP+ at 2.5A resolution 分子名称: CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-protochlorophyllide oxidoreductase, ... 著者 Zhou, A, Feng, L. 登録日 2019-03-22 公開日 2019-10-30 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis. Nature, 574, 2019
6I6F	SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 1 分子名称: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Sepiapterin reductase, ... 著者 Alen, J, Schade, M, Wagener, M, Blaesse, M. 登録日 2018-11-15 公開日 2019-07-10 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors. J.Med.Chem., 62, 2019
6I6V	SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 6 分子名称: 1,2-ETHANEDIOL, 2-[[(3~{R})-oxan-3-yl]methylsulfonyl]-2-azaspiro[4.5]decane, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Alen, J, Schade, M, Wagener, M, Blaesse, M. 登録日 2018-11-15 公開日 2019-07-10 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors. J.Med.Chem., 62, 2019
6RNV	The crystal structure of Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR) 分子名称: CHLORIDE ION, Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR) 著者 Levy, C.W. 登録日 2019-05-09 公開日 2019-10-30 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.27 Å) 主引用文献 Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis. Nature, 574, 2019
6I6P	SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 3 分子名称: 1,2-ETHANEDIOL, 6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Alen, J, Schade, M, Wagener, M, Blaesse, M. 登録日 2018-11-15 公開日 2019-07-10 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors. J.Med.Chem., 62, 2019
6I6C	SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 2 分子名称: (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, ... 著者 Alen, J, Schade, M, Wagener, M, Blaesse, M. 登録日 2018-11-15 公開日 2019-07-10 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors. J.Med.Chem., 62, 2019

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