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1IOL
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BU of 1iol by Molmil
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
3HFG
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Crystal Structure of Human 11-beta-hydroxysteroid-dehydrogenase Bound to an Sulfonyl-piperazine Inhibitor
分子名称: (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
著者Bard, J, Svenson, K.
登録日2009-05-11
公開日2009-09-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Efficacious 11beta-hydroxysteroid dehydrogenase type I inhibitors in the diet-induced obesity mouse model.
J.Med.Chem., 52, 2009
2ILT
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BU of 2ilt by Molmil
Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Sulfone Inhibitor
分子名称: 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, ...
著者Longenecker, K.L, Sorensen, B, Judge, R, Qin, W, Link, J.T.
登録日2006-10-03
公開日2007-04-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Adamantane sulfone and sulfonamide 11-beta-HSD1 Inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2NWQ
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BU of 2nwq by Molmil
Short chain dehydrogenase from Pseudomonas aeruginosa
分子名称: Probable short-chain dehydrogenase, SULFATE ION
著者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.
登録日2006-11-16
公開日2006-11-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Short chain dehydrogenase from Pseudomonas aeruginosa
To be Published
8HI5
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BU of 8hi5 by Molmil
Crystal structure of the NADP+ and MSA bound C 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 (2.3 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
1DHR
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BU of 1dhr by Molmil
CRYSTAL STRUCTURE OF RAT LIVER DIHYDROPTERIDINE REDUCTASE
分子名称: DIHYDROPTERIDINE REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Varughese, K.I, Skinner, M.M, Whiteley, J.M, Matthews, D.A, Xuong, N.H.
登録日1992-03-30
公開日1993-07-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of rat liver dihydropteridine reductase.
Proc.Natl.Acad.Sci.USA, 89, 1992
3FRJ
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BU of 3frj by Molmil
Crystal Structure of 11b-Hydroxysteroid Dehydrogenase-1 (11b-HSD1) in Complex with Piperidyl Benzamide Inhibitor
分子名称: Corticosteroid 11-beta-Dehydrogenase, Isozyme 1, N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, ...
著者Wang, Z, Sudom, A, Walker, N.P.
登録日2009-01-08
公開日2009-06-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and optimization of piperidyl benzamide derivatives as a novel class of 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
1Y5M
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BU of 1y5m by Molmil
The crystal structure of murine 11b-hydroxysteroid dehydrogenase: an important therapeutic target for diabetes
分子名称: Corticosteroid 11-beta-dehydrogenase, isozyme 1, N-OCTANE, ...
著者Zhang, J, Osslund, T.D, Plant, M.H, Clogston, C.L, Nybo, R.E, Xiong, F, Delaney, J.M, Jordan, S.R.
登録日2004-12-02
公開日2005-05-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Murine 11-Hydroxysteroid Dehydrogenase 1: An Important Therapeutic Target for Diabetes
Biochemistry, 44, 2005
1SO8
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BU of 1so8 by Molmil
Abeta-bound human ABAD structure [also known as 3-hydroxyacyl-CoA dehydrogenase type II (Type II HADH), Endoplasmic reticulum-associated amyloid beta-peptide binding protein (ERAB)]
分子名称: 3-hydroxyacyl-CoA dehydrogenase type II, CHLORIDE ION, SODIUM ION
著者Lustbader, J.W, Cirilli, M, Wu, H.
登録日2004-03-13
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献ABAD directly links Abeta to mitochondrial toxicity in Alzheimer's disease.
Science, 304, 2004
3KM0
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BU of 3km0 by Molmil
17betaHSD1 in complex with 3beta-diol
分子名称: 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL, Estradiol 17-beta-dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Mazumdar, M, Lin, S.-X.
登録日2009-11-09
公開日2010-11-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis of sex-steroid translation
To be Published
1EDO
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BU of 1edo by Molmil
THE X-RAY STRUCTURE OF BETA-KETO ACYL CARRIER PROTEIN REDUCTASE FROM BRASSICA NAPUS COMPLEXED WITH NADP+
分子名称: BETA-KETO ACYL CARRIER PROTEIN REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Fisher, M, Kroon, J.T, Martindale, W, Stuitje, A.R, Slabas, A.R, Rafferty, J.B.
登録日2000-01-28
公開日2001-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The X-ray structure of Brassica napus beta-keto acyl carrier protein reductase and its implications for substrate binding and catalysis.
Structure Fold.Des., 8, 2000
1AHI
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BU of 1ahi by Molmil
7 ALPHA-HYDROXYSTEROID DEHYDROGENASE COMPLEXED WITH NADH AND 7-OXO GLYCOCHENODEOXYCHOLIC ACID
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 7 ALPHA-HYDROXYSTEROID DEHYDROGENASE, GLYCOCHENODEOXYCHOLIC ACID
著者Tanaka, N, Nonaka, T, Mitsui, Y.
登録日1995-08-25
公開日1996-10-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of the binary and ternary complexes of 7 alpha-hydroxysteroid dehydrogenase from Escherichia coli.
Biochemistry, 35, 1996
1AHH
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BU of 1ahh by Molmil
7 ALPHA-HYDROXYSTEROID DEHYDROGENASE COMPLEXED WITH NAD+
分子名称: 7 ALPHA-HYDROXYSTEROID DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Tanaka, N, Nonaka, T, Mitsui, Y.
登録日1995-08-25
公開日1996-10-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of the binary and ternary complexes of 7 alpha-hydroxysteroid dehydrogenase from Escherichia coli.
Biochemistry, 35, 1996
3LF1
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BU of 3lf1 by Molmil
Apo structure of The Short Chain Oxidoreductase Q9HYA2 from Pseudomonas aeruginosa PAO1 Containing an Atypical Catalytic Center
分子名称: CHLORIDE ION, MANGANESE (II) ION, Short Chain Oxidoreductase Q9HYA2
著者Huether, R, Umland, T.C, Duax, W.L.
登録日2010-01-15
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.315 Å)
主引用文献The short-chain oxidoreductase Q9HYA2 from Pseudomonas aeruginosa PAO1 contains an atypical catalytic center.
Protein Sci., 19, 2010
3TPC
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BU of 3tpc by Molmil
Crystal structure of a hypothtical protein SMa1452 from Sinorhizobium meliloti 1021
分子名称: Short chain alcohol dehydrogenase-related dehydrogenase
著者Agarwal, R, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
登録日2011-09-07
公開日2011-09-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Crystal structure of a hypothtical protein SMa1452 from Sinorhizobium meliloti 1021
To be Published
4XWY
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BU of 4xwy by Molmil
Crystal structure of human sepiapterin reductase in complex with an N-acetylserotinin analogue
分子名称: N-[2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl]-2-methoxyacetamide, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
著者Johnsson, K, Hovius, R, Gorszka, K.I, Pojer, F.
登録日2015-01-29
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Reduction of Neuropathic and Inflammatory Pain through Inhibition of the Tetrahydrobiopterin Pathway.
Neuron, 86, 2015
4Z3K
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BU of 4z3k by Molmil
Human sepiapterin reductase in complex with the cofactor NADP+ and the trypthophan metabolite xanthurenic acid
分子名称: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
著者Johnsson, K.
登録日2015-03-31
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Tetrahydrobiopterin Biosynthesis as a Potential Target of the Kynurenine Pathway Metabolite Xanthurenic Acid.
J.Biol.Chem., 291, 2016
5PGU
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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
3CH6
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Crystal Structure of 11beta-HSD1 Double Mutant (L262R, F278E) Complexed with (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
分子名称: (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sheriff, S.
登録日2008-03-07
公開日2008-06-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Pyridine amides as potent and selective inhibitors of 11beta-hydroxysteroid dehydrogenase type 1
Bioorg.Med.Chem.Lett., 18, 2008
3CZR
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Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Arylsulfonylpiperazine Inhibitor
分子名称: (2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Corticosteroid 11-beta-dehydrogenase isozyme 1, ...
著者Wang, Z, Sudom, A, Walker, N.P.
登録日2008-04-29
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery and Initial SAR of Arylsulfonylpiperazine Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1)
Bioorg.Med.Chem.Lett., 18, 2008
4IJV
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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
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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
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
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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
5PGV
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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
5PGW
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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

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