Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
6MNE
DownloadVisualize
BU of 6mne by Molmil
CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 COMPLEXED WITH ESTRONE AND NADP+
分子名称: (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, Estradiol 17-beta-dehydrogenase 1, GLYCEROL, ...
著者Li, T, Lin, S.X.
登録日2018-10-01
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structures of human 17 beta-hydroxysteroid dehydrogenase type 1 complexed with estrone and NADP+reveal the mechanism of substrate inhibition.
Febs J., 286, 2019
6MNC
DownloadVisualize
BU of 6mnc by Molmil
CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 COMPLEXED WITH ESTRONE
分子名称: (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, DI(HYDROXYETHYL)ETHER, Estradiol 17-beta-dehydrogenase 1
著者Li, T, Stephen, P, Zhu, D.W, Lin, S.X.
登録日2018-10-01
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of human 17 beta-hydroxysteroid dehydrogenase type 1 complexed with estrone and NADP+reveal the mechanism of substrate inhibition.
Febs J., 286, 2019
5QII
DownloadVisualize
BU of 5qii by Molmil
CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-(3-(1-(4-CHLOROPHENYL)CYCLOPROPYL) -[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8-YL)PROPAN-2-OL
分子名称: 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sheriff, S.
登録日2018-07-03
公開日2018-12-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 9, 2018
5QIJ
DownloadVisualize
BU of 5qij by Molmil
CRYSTAL STRUCTURE OF MURINE 11B- HYDROXYSTEROIDDEHYDROGENASE COMPLEXED WITH 2-(3-(1-(4- CHLOROPHENYL)CYCLOPROPYL)-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8- YL)PROPAN-2-OL
分子名称: 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Sheriff, S.
登録日2018-07-03
公開日2018-12-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 9, 2018
6DTP
DownloadVisualize
BU of 6dtp by Molmil
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
6D9Y
DownloadVisualize
BU of 6d9y by Molmil
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
6CGE
DownloadVisualize
BU of 6cge by Molmil
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
6CGC
DownloadVisualize
BU of 6cgc by Molmil
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
5Z2L
DownloadVisualize
BU of 5z2l by Molmil
Crystal structure of BdcA in complex with NADPH
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Cyclic-di-GMP-binding biofilm dispersal mediator protein, ...
著者Yang, W.S, Hou, Y.J, Li, D.F, Wang, D.C.
登録日2018-01-03
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A potential substrate binding pocket of BdcA plays a critical role in NADPH recognition and biofilm dispersal
Biochem. Biophys. Res. Commun., 497, 2018
5YSS
DownloadVisualize
BU of 5yss by Molmil
Crystal structure of aminocaproic acid cyclase in complex with NAD (+)
分子名称: 3-hydroxybutyrate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Fu, Y, Yeom, S.J, Lee, S.G.
登録日2017-11-15
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.276 Å)
主引用文献A synthetic microbial biosensor for high-throughput screening of lactam biocatalysts
Nat Commun, 9, 2018
5O98
DownloadVisualize
BU of 5o98 by Molmil
Binary complex of Catharanthus roseus Vitrosamine Synthase with NADP+
分子名称: Alcohol dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Stavrinides, A.K, Tatsis, E.C, Dang, T.T, Caputi, L, Stevenson, C.E.M, Lawson, D.M, Schneider, B, O'Connor, S.E.
登録日2017-06-16
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of a Short-Chain Dehydrogenase from Catharanthus roseus that Produces a New Monoterpene Indole Alkaloid.
Chembiochem, 19, 2018
5O3Z
DownloadVisualize
BU of 5o3z by Molmil
Crystal structure of Sorbitol-6-Phosphate 2-dehydrogenase SrlD from Erwinia amylovora
分子名称: CHLORIDE ION, Sorbitol-6-phosphate dehydrogenase
著者Salomone-Stagni, M, Bartho, J.D, Bellini, D, Walsh, M.A, Benini, S.
登録日2017-05-25
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural and functional analysis of Erwinia amylovora SrlD. The first crystal structure of a sorbitol-6-phosphate 2-dehydrogenase.
J.Struct.Biol., 203, 2018
5VML
DownloadVisualize
BU of 5vml by Molmil
Crystal Structure of Acetoacetyl-CoA Reductase from Burkholderia Pseudomallei 1710b with bound NADP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Acetoacetyl-CoA reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-04-27
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Acetoacetyl-CoA Reductase from Burkholderia Pseudomallei 1710b with bound NADP
to be published
5UZX
DownloadVisualize
BU of 5uzx by Molmil
Crystal Structure of Putative short-chain dehydrogenase/reductase from Burkholderia multivorans with bound NADP
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-02-27
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Putative short-chain dehydrogenase/reductase from Burkholderia multivorans with bound NADP
to be published
5PGU
DownloadVisualize
BU of 5pgu by Molmil
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
DownloadVisualize
BU of 5pgx by Molmil
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
5PGY
DownloadVisualize
BU of 5pgy by Molmil
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
5PGZ
DownloadVisualize
BU of 5pgz by Molmil
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
5PGW
DownloadVisualize
BU of 5pgw by Molmil
CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[(1R,3S,5R,7S)-2-[4-(4-FLUOROPHENYL)PHENYL]-6-HYDROXYADAMANTAN-2-YL]-1-(3- HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE
分子名称: 2-[(1R,3S,5R,7S)-2-[4-(4-FLUOROPHENYL)PHENYL]-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 (2.37 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
5PGV
DownloadVisualize
BU of 5pgv by Molmil
CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 1-(3-HYDROXYAZETIDIN-1-YL)-2-[(2S,5R)-2-(4-FLUOROPHENYL)-5-METHOXYADAMANTAN-2-YL]ETHAN-1-ONE
分子名称: 1-(3-HYDROXYAZETIDIN-1-YL)-2-[(2S,5R)-2-(4-FLUOROPHENYL)-5-METHOXYADAMANTAN-2-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 (2.35 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
5U9P
DownloadVisualize
BU of 5u9p by Molmil
Crystal structure of a gluconate 5-dehydrogenase from Burkholderia cenocepacia J2315 in complex with NADP and tartrate
分子名称: 1,2-ETHANEDIOL, Gluconate 5-dehydrogenase, L(+)-TARTARIC ACID, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-12-17
公開日2017-01-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of a gluconate 5-dehydrogenase from Burkholderia cenocepacia J2315 in complex with NADP and tartrate
TO BE PUBLISHED
5MLN
DownloadVisualize
BU of 5mln by Molmil
The crystal structure of alcohol dehydrogenase 10 from Candida magnoliae
分子名称: Alcohol dehydrogenase 3, DI(HYDROXYETHYL)ETHER, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Castellanos, J.R.G, Mattevi, A.
登録日2016-12-07
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献One-Pot Biocatalytic Double Oxidation of alpha-Isophorone for the Synthesis of Ketoisophorone
Chemcatchem, 2017
5U4S
DownloadVisualize
BU of 5u4s by Molmil
Crystal structure of a Short chain dehydrogenase from Burkholderia cenocepacia J2315 in complex with NADP.
分子名称: BENZOIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-12-06
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of a Short chain dehydrogenase from Burkholderia cenocepacia J2315 in complex with NADP
to be published
5U2W
DownloadVisualize
BU of 5u2w by Molmil
Crystal structure of a Short chain dehydrogenase from Burkholderia cenocepacia J2315 in complex with NADP
分子名称: 1,2-ETHANEDIOL, IMIDAZOLE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-12-01
公開日2017-01-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of a Short chain dehydrogenase from Burkholderia cenocepacia J2315 in complex with NADP
to be published
5U1P
DownloadVisualize
BU of 5u1p by Molmil
Crystal structure of NADP-dependent carbonyl reductase from Burkholderia multivorans in complex with NADP
分子名称: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-dependent carbonyl reductase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-11-28
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of NADP-dependent carbonyl reductase from Burkholderia multivorans in complex with NADP
TO BE PUBLISHED

221051

件を2024-06-12に公開中

PDB statisticsPDBj update infoContact PDBjnumon