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1OAA
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BU of 1oaa by Molmil
MOUSE SEPIAPTERIN REDUCTASE COMPLEXED WITH NADP AND OXALOACETATE
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXALOACETATE ION, SEPIAPTERIN REDUCTASE, ...
Authors:Auerbach, G, Herrmann, A, Bacher, A, Huber, R.
Deposit date:1997-08-25
Release date:1999-02-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The 1.25 A crystal structure of sepiapterin reductase reveals its binding mode to pterins and brain neurotransmitters.
EMBO J., 16, 1997
6DTP
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BU of 6dtp by Molmil
CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 COMPLEXED WITH EM139
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Estradiol 17-beta-dehydrogenase 1, ...
Authors:Li, T, Lin, S.X.
Deposit date:2018-06-18
Release date:2018-09-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 COMPLEXED WITH Dual-Site Inhibitor EM-139
Health, 2018
1OOE
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BU of 1ooe by Molmil
Structural Genomics of Caenorhabditis elegans : Dihydropteridine reductase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Dihydropteridine reductase
Authors:Symersky, J, Li, S, Nagy, L, Qiu, S, Lin, G, Tsao, J, Luo, D, Carson, M, DeLucas, L, Luo, M, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2003-03-03
Release date:2003-03-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural genomics of Caenorhabditis elegans: structure of dihydropteridine reductase.
Proteins, 53, 2003
2HRB
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BU of 2hrb by Molmil
Crystal Structure of human Carbonyl Reductase 3, complexed with NADP+
Descriptor: Carbonyl reductase [NADPH] 3, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Pilka, E.S, Structural Genomics Consortium (SGC)
Deposit date:2006-07-20
Release date:2006-08-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of human Carbonyl Reductase 3, complexed with NADP+
To be Published
2HSD
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BU of 2hsd by Molmil
THE REFINED THREE-DIMENSIONAL STRUCTURE OF 3ALPHA,20BETA-HYDROXYSTEROID DEHYDROGENASE AND POSSIBLE ROLES OF THE RESIDUES CONSERVED IN SHORT-CHAIN DEHYDROGENASES
Descriptor: 3-ALPHA, 20 BETA-HYDROXYSTEROID DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Ghosh, D, Duax, W.L.
Deposit date:1994-03-28
Release date:1994-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:The refined three-dimensional structure of 3 alpha,20 beta-hydroxysteroid dehydrogenase and possible roles of the residues conserved in short-chain dehydrogenases.
Structure, 2, 1994
2BD0
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BU of 2bd0 by Molmil
Chlorobium tepidum Sepiapterin Reductase complexed with NADP and Sepiapterin
Descriptor: BIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, sepiapterin reductase
Authors:Supangat, S, Seo, K.H, Choi, Y.K, Park, Y.S, Lee, K.H.
Deposit date:2005-10-19
Release date:2005-11-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of Chlorobium tepidum sepiapterin reductase complex reveals the novel substrate binding mode for stereospecific production of L-threo-tetrahydrobiopterin
J.Biol.Chem., 281, 2006
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
Descriptor: 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sheriff, S.
Deposit date:2017-02-06
Release date:2017-11-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
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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
Descriptor: 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
Authors:Sheriff, S.
Deposit date:2017-02-06
Release date:2017-11-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
2C07
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BU of 2c07 by Molmil
Oxoacyl-ACP reductase of Plasmodium falciparum
Descriptor: 3-OXOACYL-(ACYL-CARRIER PROTEIN) REDUCTASE, SULFATE ION
Authors:Urch, J.E, Wickramasinghe, S.R, Inglis, K.A, Muller, S, Fairlamb, A.H, van Aalten, D.M.F.
Deposit date:2005-08-26
Release date:2005-10-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Kinetic, Inhibition and Structural Studies on 3-Oxoacyl-Acp Reductase from Plasmodium Falciparum, a Key Enzyme in Fatty Acid Biosynthesis.
Biochem.J., 393, 2006
2BEL
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BU of 2bel by Molmil
Structure of human 11-beta-hydroxysteroid dehydrogenase in complex with NADP and carbenoxolone
Descriptor: CARBENOXOLONE, CHLORIDE ION, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, ...
Authors:Kavanagh, K, Wu, X, Svensson, S, Elleby, B, von Delft, F, Debreczeni, J.E, Sharma, S, Bray, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Abrahmsen, L, Oppermann, U.
Deposit date:2004-11-25
Release date:2004-12-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The High Resolution Structures of Human, Murine and Guinea Pig 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Reveal Critical Differences in Active Site Architecture
To be Published
5PGY
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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)
Descriptor: 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
Authors:Sheriff, S.
Deposit date:2017-02-06
Release date:2017-11-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite: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
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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)
Descriptor: 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, ...
Authors:Sheriff, S.
Deposit date:2017-02-06
Release date:2017-11-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
2IRW
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BU of 2irw by Molmil
Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Ether Inhibitor
Descriptor: (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Longenecker, K.L, Patel, J.R, Russell, J, Qin, W.
Deposit date:2006-10-16
Release date:2007-01-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of adamantane ethers as inhibitors of 11beta-HSD-1: Synthesis and biological evaluation.
Bioorg.Med.Chem.Lett., 17, 2007
2ILT
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BU of 2ilt by Molmil
Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Sulfone Inhibitor
Descriptor: 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, ...
Authors:Longenecker, K.L, Sorensen, B, Judge, R, Qin, W, Link, J.T.
Deposit date:2006-10-03
Release date:2007-04-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Adamantane sulfone and sulfonamide 11-beta-HSD1 Inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
5PGW
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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
Descriptor: 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
Authors:Sheriff, S.
Deposit date:2017-02-06
Release date:2017-11-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.37 Å)
Cite: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
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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
Descriptor: 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
Authors:Sheriff, S.
Deposit date:2017-02-06
Release date:2017-11-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
7BTM
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BU of 7btm by Molmil
SDR protein/resistance protein NapW
Descriptor: Short chain dehydrogenase
Authors:Wen, W.H, Tang, G.L.
Deposit date:2020-04-02
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.08311653 Å)
Cite:Reductive inactivation of the hemiaminal pharmacophore for resistance against tetrahydroisoquinoline antibiotics.
Nat Commun, 12, 2021
7BSX
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BU of 7bsx by Molmil
SDR protein NapW-NADP
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase
Authors:Wen, W.H, Tang, G.L.
Deposit date:2020-03-31
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reductive inactivation of the hemiaminal pharmacophore for resistance against tetrahydroisoquinoline antibiotics.
Nat Commun, 12, 2021
2JAH
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BU of 2jah by Molmil
Biochemical and structural analysis of the Clavulanic acid dehydeogenase (CAD) from Streptomyces clavuligerus
Descriptor: CLAVULANIC ACID DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:MacKenzie, A.K, Kershaw, N.J, Hernandez, H, Robinson, C.V, Schofield, C.J, Andersson, I.
Deposit date:2006-11-28
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Clavulanic Acid Dehydrogenase: Structural and Biochemical Analysis of the Final Step in the Biosynthesis of the Beta-Lactamase Inhibitor Clavulanic Acid
Biochemistry, 46, 2007
2JAP
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BU of 2jap by Molmil
Clavulanic Acid Dehydrogenase: Structural and Biochemical Analysis of the Final Step in the Biosynthesis of the beta-Lactamase Inhibitor Clavulanic acid
Descriptor: (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, CLAVALDEHYDE DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:MacKenzie, A.K, Kershaw, N.J, Hernandez, H, Robinson, C.V, Schofield, C.J, Andersson, I.
Deposit date:2006-11-29
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Clavulanic Acid Dehydrogenase: Structural and Biochemical Analysis of the Final Step in the Biosynthesis of the Beta-Lactamase Inhibitor Clavulanic Acid
Biochemistry, 46, 2007
5QII
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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
Descriptor: 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
Authors:Sheriff, S.
Deposit date:2018-07-03
Release date:2018-12-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
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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
Descriptor: 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, ...
Authors:Sheriff, S.
Deposit date:2018-07-03
Release date:2018-12-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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
7DSF
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BU of 7dsf by Molmil
The Crystal Structure of human SPR from Biortus.
Descriptor: ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Sepiapterin reductase, ...
Authors:Wang, F, Lv, Z, Cheng, W, Lin, D, Meng, Q, Zhang, B, Huang, Y.
Deposit date:2020-12-31
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Crystal Structure of human SPR from Biortus.
To Be Published
2EHD
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BU of 2ehd by Molmil
Crystal Structure Analysis of Oxidoreductase
Descriptor: COBALT (II) ION, Oxidoreductase, short-chain dehydrogenase/reductase family
Authors:Kamiya, N, Hikima, T, Ebihara, A, Inoue, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-06
Release date:2008-03-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure analysis of putative oxidoreductase from Thermus thermophilus HB8
to be published
7ENY
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BU of 7eny by Molmil
Crystal structure of hydroxysteroid dehydrogenase from Escherichia coli
Descriptor: 7alpha-hydroxysteroid dehydrogenase
Authors:Kim, K.-H, Lee, C.W, Pardhe, D.P, Hwang, J, Do, H, Lee, Y.M, Lee, J.H, Oh, T.-J.
Deposit date:2021-04-21
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Crystal structure of an apo 7 alpha-hydroxysteroid dehydrogenase reveals key structural changes induced by substrate and co-factor binding.
J.Steroid Biochem.Mol.Biol., 212, 2021

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