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1HDR	THE CRYSTALLOGRAPHIC STRUCTURE OF A HUMAN DIHYDROPTERIDINE REDUCTASE NADH BINARY COMPLEX EXPRESSED IN ESCHERICHIA COLI BY A CDNA CONSTRUCTED FROM ITS RAT HOMOLOGUE Descriptor: DIHYDROPTERIDINE REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Varughese, K.I, Su, Y, Xuong, N.H, Whiteley, J.M. Deposit date: 1993-08-18 Release date: 1994-08-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.5 Å) Cite: The crystallographic structure of a human dihydropteridine reductase NADH binary complex expressed in Escherichia coli by a cDNA constructed from its rat homologue. J.Biol.Chem., 268, 1993
1HDC	MECHANISM OF INHIBITION OF 3ALPHA,20BETA-HYDROXYSTEROID DEHYDROGENASE BY A LICORICE-DERIVED STEROIDAL INHIBITOR Descriptor: 3-ALPHA, 20 BETA-HYDROXYSTEROID DEHYDROGENASE, CARBENOXOLONE Authors: Ghosh, D. Deposit date: 1994-10-21 Release date: 1995-02-07 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Mechanism of inhibition of 3 alpha, 20 beta-hydroxysteroid dehydrogenase by a licorice-derived steroidal inhibitor. Structure, 2, 1994
1I5R	TYPE 1 17-BETA HYDROXYSTEROID DEHYDROGENASE EM1745 COMPLEX Descriptor: GLYCEROL, O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE, TYPE 1 17 BETA-HYDROXYSTEROID DEHYDROGENASE Authors: Qiu, W, Campbell, R.L, Boivin, P, Poirier, D, Lin, S.-X. Deposit date: 2001-02-28 Release date: 2003-03-11 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (1.6 Å) Cite: A concerted, rational design of type 1 17beta-hydroxysteroid dehydrogenase inhibitors: estradiol-adenosine hybrids with high affinity FASEB J., 16, 2002
1IOL	ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE COMPLEXED 17-BETA-ESTRADIOL Descriptor: ESTRADIOL, ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE Authors: Azzi, A, Rehse, P.H, Zhu, D.-W, Campbell, R.L, Labrie, F, Lin, S.-X. Deposit date: 1996-06-20 Release date: 1997-07-07 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystal structure of human estrogenic 17 beta-hydroxysteroid dehydrogenase complexed with 17 beta-estradiol. Nat.Struct.Biol., 3, 1996
1JTV	Crystal structure of 17beta-Hydroxysteroid Dehydrogenase Type 1 complexed with Testosterone Descriptor: 17 beta-hydroxysteroid dehydrogenase type 1, GLYCEROL, TESTOSTERONE Authors: Shi, R, Nahoum, V, Lin, S.X. Deposit date: 2001-08-22 Release date: 2003-06-24 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Pseudo-symmetry of C19 steroids, alternative binding orientations, and multispecificity in human estrogenic 17beta-hydroxysteroid dehydrogenase. FASEB J., 17, 2003
4IJW	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 Descriptor: 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 Authors: Sheriff, S. Deposit date: 2012-12-23 Release date: 2014-06-11 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.35 Å) Cite: 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	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 Descriptor: (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, ... Authors: Sheriff, S. Deposit date: 2012-12-23 Release date: 2014-06-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.35 Å) Cite: 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
4IMR	Crystal structure of 3-oxoacyl (acyl-carrier-protein) reductase (target EFI-506442) from agrobacterium tumefaciens C58 with NADP bound Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, UNKNOWN LIGAND Authors: Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N.F, Stead, M, Love, J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) Deposit date: 2013-01-03 Release date: 2013-01-16 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.96 Å) Cite: Crystal Structure of 3-Oxoacyl (Acyl-Carrier-Protein) Reductase Atu5465 from Agrobacterium Tumefaciens To be Published
4IS2	Crystal structure of the apo form of a 3alpha-hydroxysteroid dehydrogenase (BaiA2) associated with secondary bile acid synthesis from Clostridium scindens VPI12708 at 1.90 A resolution Descriptor: Bile acid 3-alpha hydroxysteroid dehydrogenase, CHLORIDE ION Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2013-01-16 Release date: 2013-04-03 Last modified: 2023-02-01 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure of the apo form of a 3alpha-hydroxysteroid dehydrogenase (BaiA2) associated with secondary bile acid synthesis from Clostridium scindens VPI12708 at 1.90 A resolution To be published
4IS3	Crystal structure of a 3alpha-hydroxysteroid dehydrogenase (BaiA2) associated with secondary bile acid synthesis from Clostridium scindens VPI12708 in complex with a putative NAD(+)-OH- adduct at 2.0 A resolution Descriptor: ACETATE ION, Bile acid 3-alpha hydroxysteroid dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2013-01-16 Release date: 2013-04-24 Last modified: 2023-02-01 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of a 3alpha-hydroxysteroid dehydrogenase (BaiA2) associated with secondary bile acid synthesis from Clostridium scindens VPI12708 in complex with a putative NAD(+)-OH- adduct at 2.0 A resolution To be published
8G89	HSD17B13 in complex with cofactor and inhibitor Descriptor: 3-fluoro-N-({(1r,4r)-4-[(2-fluorophenoxy)methyl]-1-hydroxycyclohexyl}methyl)-4-hydroxybenzamide, Hydroxysteroid 17-beta dehydrogenase 13, NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Liu, S. Deposit date: 2023-02-17 Release date: 2023-08-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.222 Å) Cite: Structural basis of lipid-droplet localization of 17-beta-hydroxysteroid dehydrogenase 13. Nat Commun, 14, 2023
8G93	Crystal structures of 17-beta-hydroxysteroid dehydrogenase 13 Descriptor: 3-fluoro-N-({(1r,4r)-4-[(2-fluorophenoxy)methyl]-1-hydroxycyclohexyl}methyl)-4-hydroxybenzamide, Hydroxysteroid 17-beta dehydrogenase 13, NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Liu, S. Deposit date: 2023-02-21 Release date: 2023-08-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.91 Å) Cite: Structural basis of lipid-droplet localization of 17-beta-hydroxysteroid dehydrogenase 13. Nat Commun, 14, 2023
8G84	Crystal structures of HSD17B13 complexes Descriptor: Hydroxysteroid 17-beta dehydrogenase 13, NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Liu, S. Deposit date: 2023-02-17 Release date: 2023-08-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.467 Å) Cite: Structural basis of lipid-droplet localization of 17-beta-hydroxysteroid dehydrogenase 13. Nat Commun, 14, 2023
8G9V	Crystal structures of 17-beta-hydroxysteroid dehydrogenase 13 Descriptor: 17-beta-hydroxysteroid dehydrogenase 13, 4-{[2,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)benzene-1-sulfonyl]amino}benzoic acid, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... Authors: Liu, S. Deposit date: 2023-02-22 Release date: 2023-08-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.645 Å) Cite: Structural basis of lipid-droplet localization of 17-beta-hydroxysteroid dehydrogenase 13. Nat Commun, 14, 2023
4J7X	Crystal structure of human sepiapterin reductase in complex with sulfasalazine Descriptor: 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... Authors: Groenlund Pedersen, M, Pojer, F, Johnsson, K. Deposit date: 2013-02-14 Release date: 2014-02-19 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Crystal structure of human sepiapterin reductase in complex with sulfasalazine To be Published
4J7U	Crystal structure of human sepiapterin reductase in complex with sulfathiazole Descriptor: 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... Authors: Groenlund Pedersen, M, Pojer, F, Johnsson, K. Deposit date: 2013-02-14 Release date: 2013-06-05 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.44 Å) Cite: Tetrahydrobiopterin biosynthesis as an off-target of sulfa drugs. Science, 340, 2013
4K6C	X-ray crystal structure of a putative Acetoacyl-CoA reductase from Burkholderia cenocepacia Descriptor: 1,2-ETHANEDIOL, Acetoacetyl-CoA reductase, CHLORIDE ION Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2013-04-15 Release date: 2013-05-22 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.85 Å) Cite: X-ray crystal structure of a putative Acetoacyl-CoA reductase from Burkholderia cenocepacia TO BE PUBLISHED
4K26	4,4-Dioxo-5,6-dihydro-[1,4,3]oxathiazines, a novel class of 11 -HSD1 inhibitors for the treatment of diabetes Descriptor: (4aS,8aR)-N-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Loenze, P, Schimanski-Breves, S, Vonderheyden, C, Engel, C.K. Deposit date: 2013-04-08 Release date: 2014-04-09 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.21 Å) Cite: 1,1-Dioxo-5,6-dihydro-[4,1,2]oxathiazines, a novel class of 11-HSD1 inhibitors for the treatment of diabetes. Bioorg.Med.Chem.Lett., 23, 2013
4K1L	4,4-Dioxo-5,6-dihydro-[1,4,3]oxathiazines, a novel class of 11 beta-HSD1 inhibitors for the treatment of diabetes Descriptor: (4aS,8aR)-N-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Loenze, P, Schimanski-Breves, S, Von der Heyden, C, Engel, C.K. Deposit date: 2013-04-05 Release date: 2014-04-09 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.96 Å) Cite: 1,1-Dioxo-5,6-dihydro-[4,1,2]oxathiazines, a novel class of 11-HSD1 inhibitors for the treatment of diabetes. Bioorg.Med.Chem.Lett., 23, 2013
8HI4	Cryo-EM structure of the bi-functional malonyl-CoA reductase from Roseiflexus castenholzii Descriptor: Short-chain dehydrogenase/reductase SDR Authors: Zhang, X, Xu, X, Xin, J. Deposit date: 2022-11-18 Release date: 2023-05-31 Last modified: 2023-09-20 Method: ELECTRON MICROSCOPY (3.35 Å) Cite: Structural basis of a bi-functional malonyl-CoA reductase (MCR) from the photosynthetic green non-sulfur bacterium Roseiflexus castenholzii. Mbio, 14, 2023
8HI5	Crystal structure of the NADP+ and MSA bound C terminal domain of bi-functional malonyl-CoA reductase from Roseiflexus castenholzii Descriptor: 3-oxidanylidenepropanoic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR Authors: Zhang, X, Wu, W.P, Xu, X. Deposit date: 2022-11-18 Release date: 2023-05-31 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural basis of a bi-functional malonyl-CoA reductase (MCR) from the photosynthetic green non-sulfur bacterium Roseiflexus castenholzii. Mbio, 14, 2023
8HI6	Crystal structure of the NADP+ and MSA bound N terminal domain of bi-functional malonyl-CoA reductase from Roseiflexus castenholzii Descriptor: 3-oxidanylidenepropanoic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR Authors: Zhang, X, Wu, W.P, Xu, X. Deposit date: 2022-11-18 Release date: 2023-05-31 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural basis of a bi-functional malonyl-CoA reductase (MCR) from the photosynthetic green non-sulfur bacterium Roseiflexus castenholzii. Mbio, 14, 2023
8HJW	Bi-functional malonyl-CoA reductuase from Chloroflexus aurantiacus Descriptor: Short-chain dehydrogenase/reductase SDR Authors: Ahn, J.W, Kim, S. Deposit date: 2022-11-24 Release date: 2023-08-30 Method: ELECTRON MICROSCOPY (4.1 Å) Cite: Cryo-EM structure of bifunctional malonyl-CoA reductase from Chloroflexus aurantiacus reveals a dynamic domain movement for high enzymatic activity. Int.J.Biol.Macromol., 242, 2023
4K6F	X-ray crystal structure of a putative Acetoacetyl-CoA reductase from Burkholderia cenocepacia bound to the co-factor NADP Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative Acetoacetyl-CoA reductase Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2013-04-15 Release date: 2013-05-15 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.5 Å) Cite: X-ray crystal structure of a putative Acetoacetyl-CoA reductase from Burkholderia cenocepacia bound to the co-factor NADP TO BE PUBLISHED
4KZP	Crystal Structure of a Putative Short Chain Dehydrogenase from Mycobacterium smegmatis Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Oxidoreductase, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2013-05-30 Release date: 2013-07-24 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Crystal Structure of a Putative Short Chain Dehydrogenase from Mycobacterium smegmatis To be Published

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