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1FDT
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BU of 1fdt by Molmil
HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 COMPLEXED WITH ESTRADIOL AND NADP+
Descriptor: 17-BETA-HYDROXYSTEROID-DEHYDROGENASE, ESTRADIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Housset, D, Breton, R, Mazza, C, Fontecilla-Camps, J.-C.
Deposit date:1996-06-28
Release date:1997-02-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of a complex of human 17beta-hydroxysteroid dehydrogenase with estradiol and NADP+ identifies two principal targets for the design of inhibitors.
Structure, 4, 1996
1FDS
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BU of 1fds by Molmil
HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 COMPLEXED WITH 17-BETA-ESTRADIOL
Descriptor: 17-BETA-HYDROXYSTEROID-DEHYDROGENASE, ESTRADIOL
Authors:Housset, D, Breton, R, Mazza, C, Fontecilla-Camps, J.-C.
Deposit date:1996-06-28
Release date:1997-02-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structure of a complex of human 17beta-hydroxysteroid dehydrogenase with estradiol and NADP+ identifies two principal targets for the design of inhibitors.
Structure, 4, 1996
1MRQ
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BU of 1mrq by Molmil
Crystal structure of human 20alpha-HSD in ternary complex with NADP and 20alpha-hydroxy-progesterone
Descriptor: Aldo-keto reductase family 1 member C1, BETA-MERCAPTOETHANOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Couture, J.F, Legrand, P, Cantin, L, Luu-The, V, Labrie, F, Breton, R.
Deposit date:2002-09-18
Release date:2003-09-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Human 20alpha-hydroxysteroid dehydrogenase: crystallographic and site-directed mutagenesis studies lead to the identification of an alternative binding site for C21-steroids.
J.Mol.Biol., 331, 2003
2PNU
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BU of 2pnu by Molmil
Crystal structure of human androgen receptor ligand-binding domain in complex with EM-5744
Descriptor: (5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Cantin, L, Faucher, F, Couture, J.F, Pereira de Jesus-Tran, K, Legrand, P, Ciobanu, C.L, Singh, S.M, Labrie, F, Breton, R.
Deposit date:2007-04-25
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Characterization of the Human Androgen Receptor Ligand-binding Domain Complexed with EM5744, a Rationally Designed Steroidal Ligand Bearing a Bulky Chain Directed toward Helix 12.
J.Biol.Chem., 282, 2007
1A27
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BU of 1a27 by Molmil
HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 C-TERMINAL DELETION MUTANT COMPLEXED WITH ESTRADIOL AND NADP+
Descriptor: 17-BETA-HYDROXYSTEROID-DEHYDROGENASE, ESTRADIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Mazza, C, Breton, R, Housset, D, Fontecilla-Camps, J.-C.
Deposit date:1998-01-16
Release date:1998-05-27
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human Type I 17Beta-Hydroxysteroid Dehydrogenase: Site Directed Mutagenesis and X-Ray Crystallography Structure-Function Analysis
Thesis, Universite Joseph Fourier, 1997
1Q13
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BU of 1q13 by Molmil
Crystal structure of rabbit 20alpha hyroxysteroid dehydrogenase in ternary complex with NADP and testosterone
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin-E2 9-reductase, SULFATE ION, ...
Authors:Couture, J.-F, Cantin, L, Legrand, P, Luu-The, V, Labrie, F, Breton, R.
Deposit date:2003-07-18
Release date:2004-11-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Loop relaxation, a mechanism that explains the reduced specificity of rabbit 20alpha-hydroxysteroid dehydrogenase, a member of the aldo-keto reductase superfamily.
J. Mol. Biol., 339, 2004
1Q5M
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Binary complex of rabbit 20alpha-hydroxysteroid dehydrogenase with NADPH
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin-E2 9-reductase, SULFATE ION
Authors:Couture, J.F, Legrand, P, Cantin, L, Labrie, F, Luu-The, V, Breton, R.
Deposit date:2003-08-08
Release date:2004-05-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Loop Relaxation, A Mechanism that Explains the Reduced Specificity of Rabbit 20alpha-Hydroxysteroid Dehydrogenase, A Member of the Aldo-Keto Reductase Superfamily.
J.Mol.Biol., 339, 2004
1FDV
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BU of 1fdv by Molmil
HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 MUTANT H221L COMPLEXED WITH NAD+
Descriptor: 17-BETA-HYDROXYSTEROID DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Mazza, C, Breton, R, Housset, D, Fontecilla-Camps, J.-C.
Deposit date:1998-01-15
Release date:1998-05-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Unusual charge stabilization of NADP+ in 17beta-hydroxysteroid dehydrogenase.
J.Biol.Chem., 273, 1998
1FDW
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BU of 1fdw by Molmil
HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 MUTANT H221Q COMPLEXED WITH ESTRADIOL
Descriptor: 17-BETA-HYDROXYSTEROID DEHYDROGENASE, ESTRADIOL
Authors:Mazza, C, Breton, R, Housset, D, Fontecilla-Camps, J.-C.
Deposit date:1998-01-16
Release date:1998-05-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Unusual charge stabilization of NADP+ in 17beta-hydroxysteroid dehydrogenase.
J.Biol.Chem., 273, 1998
1FDU
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BU of 1fdu by Molmil
HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 MUTANT H221L COMPLEXED WITH ESTRADIOL AND NADP+
Descriptor: 17-BETA-HYDROXYSTEROID DEHYDROGENASE, ESTRADIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Mazza, C, Breton, R, Housset, D, Fontecilla-Camps, J.-C.
Deposit date:1998-01-14
Release date:1998-05-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Unusual charge stabilization of NADP+ in 17beta-hydroxysteroid dehydrogenase.
J.Biol.Chem., 273, 1998
1XJB
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BU of 1xjb by Molmil
Crystal structure of human type 3 3alpha-hydroxysteroid dehydrogenase in complex with NADP(H), citrate and acetate molecules
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase family 1 member C2, ...
Authors:Couture, J.-F, Pereira de Jesus-Tran, K, Roy, A.-M, Legrand, P, Cantin, L, Cote, P.-L, Luu-The, V, Labrie, F, Breton, R.
Deposit date:2004-09-23
Release date:2005-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Comparison of crystal structures of human type 3 3alpha-hydroxysteroid dehydrogenase reveals an "induced-fit" mechanism and a conserved basic motif involved in the binding of androgen
Protein Sci., 14, 2005
3CAQ
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BU of 3caq by Molmil
Crystal structure of 5beta-reductase (AKR1D1) in complex with NADPH
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3-oxo-5-beta-steroid 4-dehydrogenase, ...
Authors:Faucher, F, Cantin, L, Breton, R.
Deposit date:2008-02-20
Release date:2008-12-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structures of Human Delta4-3-Ketosteroid 5beta-Reductase (AKR1D1) Reveal the Presence of an Alternative Binding Site Responsible for Substrate Inhibition (dagger) (,) (double dagger).
Biochemistry, 47, 2008
2AMB
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BU of 2amb by Molmil
Crystal structure of human androgen receptor ligand binding domain in complex with tetrahydrogestrinone
Descriptor: 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Pereira de Jesus-Tran, K, Cote, P.-L, Cantin, L, Blanchet, J, Labrie, F, Breton, R.
Deposit date:2005-08-09
Release date:2006-05-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Comparison of crystal structures of human androgen receptor ligand-binding domain complexed with various agonists reveals molecular determinants responsible for binding affinity.
Protein Sci., 15, 2006
3CAS
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BU of 3cas by Molmil
Crystal structure of 5beta-reductase (AKR1D1) in complex with NADP+ and 4-androstenedione
Descriptor: 1,2-ETHANEDIOL, 3-oxo-5-beta-steroid 4-dehydrogenase, 4-ANDROSTENE-3-17-DIONE, ...
Authors:Faucher, F, Cantin, L, Breton, R.
Deposit date:2008-02-20
Release date:2008-12-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Human Delta4-3-Ketosteroid 5beta-Reductase (AKR1D1) Reveal the Presence of an Alternative Binding Site Responsible for Substrate Inhibition (dagger) (,) (double dagger).
Biochemistry, 47, 2008
3CAV
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BU of 3cav by Molmil
Crystal structure of 5beta-reductase (AKR1D1) in complex with NADP+ and 5beta-pregnan-3,20-dione
Descriptor: (5BETA)-PREGNANE-3,20-DIONE, 1,2-ETHANEDIOL, 3-oxo-5-beta-steroid 4-dehydrogenase, ...
Authors:Faucher, F, Cantin, L, Breton, R.
Deposit date:2008-02-20
Release date:2008-07-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of human Delta4-3-ketosteroid 5beta-reductase defines the functional role of the residues of the catalytic tetrad in the steroid double bond reduction mechanism.
Biochemistry, 47, 2008
2AM9
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BU of 2am9 by Molmil
Crystal structure of human androgen receptor ligand binding domain in complex with testosterone
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Androgen receptor, GLYCEROL, ...
Authors:Pereira de Jesus-Tran, K, Cote, P.-L, Cantin, L, Blanchet, J, Labrie, F, Breton, R.
Deposit date:2005-08-09
Release date:2006-05-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Comparison of crystal structures of human androgen receptor ligand-binding domain complexed with various agonists reveals molecular determinants responsible for binding affinity.
Protein Sci., 15, 2006
2AMA
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BU of 2ama by Molmil
Crystal structure of human androgen receptor ligand binding domain in complex with dihydrotestosterone
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION
Authors:Pereira de Jesus-Tran, K, Cote, P.-L, Cantin, L, Blanchet, J, Labrie, F, Breton, R.
Deposit date:2005-08-09
Release date:2006-05-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Comparison of crystal structures of human androgen receptor ligand-binding domain complexed with various agonists reveals molecular determinants responsible for binding affinity.
Protein Sci., 15, 2006
2IPG
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BU of 2ipg by Molmil
Crystal structure of 17alpha-hydroxysteroid dehydrogenase mutant K31A in complex with NADP+ and epi-testosterone
Descriptor: (10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE, 1,2-ETHANEDIOL, 3(17)alpha-hydroxysteroid dehydrogenase, ...
Authors:Faucher, F, Cantin, L, Pereira de Jesus-Tran, K, Lemieux, M, Luu-the, V, Labrie, F, Breton, R.
Deposit date:2006-10-12
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mouse 17alpha-Hydroxysteroid Dehydrogenase (AKR1C21) Binds Steroids Differently from other Aldo-keto Reductases: Identification and Characterization of Amino Acid Residues Critical for Substrate Binding.
J.Mol.Biol., 369, 2007
2IPJ
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BU of 2ipj by Molmil
Crystal structure of h3alpha-hydroxysteroid dehydrogenase type 3 mutant Y24A in complex with NADP+ and epi-testosterone
Descriptor: (10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, ...
Authors:Faucher, F, Cantin, L, Pereira de Jesus-Tran, K, Luu-the, V, Labrie, F, Breton, R.
Deposit date:2006-10-12
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mouse 17alpha-Hydroxysteroid Dehydrogenase (AKR1C21) Binds Steroids Differently from other Aldo-keto Reductases: Identification and Characterization of Amino Acid Residues Critical for Substrate Binding.
J.Mol.Biol., 369, 2007
2IPF
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BU of 2ipf by Molmil
Crystal structure of 17alpha-hydroxysteroid dehydrogenase in complex with NADP+ and epi-testosterone
Descriptor: (10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE, (3(17)alpha-hydroxysteroid dehydrogenase), 1,2-ETHANEDIOL, ...
Authors:Faucher, F, Cantin, L, Pereira de Jesus-Tran, K, Luu-the, V, Labrie, F, Breton, R.
Deposit date:2006-10-12
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mouse 17alpha-Hydroxysteroid Dehydrogenase (AKR1C21) Binds Steroids Differently from other Aldo-keto Reductases: Identification and Characterization of Amino Acid Residues Critical for Substrate Binding.
J.Mol.Biol., 369, 2007
2HEJ
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BU of 2hej by Molmil
Crystal structure of 17alpha-hydroxysteroid dehydrogenase in complex with NADP(H) in a closed conformation
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Aldo-keto reductase family 1, ...
Authors:Faucher, F, Pereira de Jesus-Tran, K, Cantin, L, Luu-the, V, Labrie, F, Breton, R.
Deposit date:2006-06-21
Release date:2006-12-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal Structures of Mouse 17alpha-Hydroxysteroid Dehydrogenase (Apoenzyme and Enzyme-NADP(H) Binary Complex): Identification of Molecular Determinants Responsible for the Unique 17alpha-reductive Activity of this Enzyme.
J.Mol.Biol., 364, 2006
2HE8
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BU of 2he8 by Molmil
Crystal structure of 17alpha-hydroxysteroid dehydrogenase in its apo-form
Descriptor: ACETATE ION, Aldo-keto reductase family 1, member C21, ...
Authors:Faucher, F, Pereira de Jesus-Tran, K, Cantin, L, Luu-the, V, Labrie, F, Breton, R.
Deposit date:2006-06-21
Release date:2006-12-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Mouse 17alpha-Hydroxysteroid Dehydrogenase (Apoenzyme and Enzyme-NADP(H) Binary Complex): Identification of Molecular Determinants Responsible for the Unique 17alpha-reductive Activity of this Enzyme.
J.Mol.Biol., 364, 2006
2HE5
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BU of 2he5 by Molmil
Crystal structure of 17alpha-hydroxysteroid dehydrogenase in binary complex with NADP(H) in an open conformation
Descriptor: ACETATE ION, Aldo-keto reductase family 1, member C21, ...
Authors:Faucher, F, Pereira de Jesus-Tran, K, Cantin, L, Luu-the, V, Labrie, F, Breton, R.
Deposit date:2006-06-21
Release date:2006-12-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of Mouse 17alpha-Hydroxysteroid Dehydrogenase (Apoenzyme and Enzyme-NADP(H) Binary Complex): Identification of Molecular Determinants Responsible for the Unique 17alpha-reductive Activity of this Enzyme.
J.Mol.Biol., 364, 2006
2HDJ
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Crystal structure of human type 3 3alpha-hydroxysteroid dehydrogenase in complex with NADP(H)
Descriptor: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Faucher, F, Pereira de Jesus-Tran, K, Cantin, L, Luu-the, V, Labrie, F, Breton, R.
Deposit date:2006-06-20
Release date:2006-12-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Mouse 17alpha-Hydroxysteroid Dehydrogenase (Apoenzyme and Enzyme-NADP(H) Binary Complex): Identification of Molecular Determinants Responsible for the Unique 17alpha-reductive Activity of this Enzyme.
J.Mol.Biol., 364, 2006
1J96
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Human 3alpha-HSD type 3 in Ternary Complex with NADP and Testosterone
Descriptor: 3alpha-hydroxysteroid dehydrogenase type 3, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Nahoum, V, Labrie, F, Lin, S.-X.
Deposit date:2001-05-23
Release date:2002-05-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure of the human 3alpha-hydroxysteroid dehydrogenase type 3 in complex with testosterone and NADP at 1.25-A resolution.
J.Biol.Chem., 276, 2001

 

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