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8AET
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BU of 8aet by Molmil
Malonyl-CoA reductase from Chloroflexus aurantiacus - C-terminal E779W variant
Descriptor: SULFATE ION, Short-chain dehydrogenase/reductase SDR
Authors:Kabasakal, B.V, Murray, J.W.
Deposit date:2022-07-13
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dynamic lid domain of Chloroflexus aurantiacus Malonyl-CoA reductase controls the reaction.
Biochimie, 219, 2023
8CWL
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BU of 8cwl by Molmil
Cryo-EM structure of Human 15-PGDH in complex with small molecule SW222746
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-methyl-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-1(2H)-one
Authors:Huang, W, Taylor, D.J.
Deposit date:2022-05-19
Release date:2023-03-08
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023
8FD8
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BU of 8fd8 by Molmil
human 15-PGDH with NADH bound
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)]
Authors:Huang, W, Taylor, D.
Deposit date:2022-12-02
Release date:2023-03-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023
7X5J
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BU of 7x5j by Molmil
ACP-dependent oxoacyl reductase
Descriptor: 3-oxoacyl-ACP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHENYLALANINE
Authors:Wang, S, Bai, L.
Deposit date:2022-03-04
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:ACP-dependent oxoacyl reductase
To Be Published
8CVN
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BU of 8cvn by Molmil
Cryo-EM Structure of Human 15-PGDH in Complex with Small Molecule SW209415
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-[butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
Authors:Huang, W, Taylor, D.J.
Deposit date:2022-05-18
Release date:2023-03-01
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023
7X3Z
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BU of 7x3z by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 1 complexed with estrone and NAD
Descriptor: (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, 17-beta-hydroxysteroid dehydrogenase type 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Li, T, Lin, S.X, Yin, H.
Deposit date:2022-03-01
Release date:2023-01-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:New insights into the substrate inhibition of human 17 beta-hydroxysteroid dehydrogenase type 1.
J.Steroid Biochem.Mol.Biol., 228, 2023
8B5U
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BU of 8b5u by Molmil
Crystal structure of Quinonoid dihydropteridine reductase from Leishmania donovani
Descriptor: Quinonoid dihydropteridine reductase
Authors:Robinson, D.A, Fairlamb, A.H.
Deposit date:2022-09-24
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Quinonoid dihydropteridine reductase from Leishmania donovani
To Be Published
8B5T
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BU of 8b5t by Molmil
Crystal structure of Quinonoid dihydropteridine reductase from Leishmania major
Descriptor: Quinonoid dihydropteridine reductase
Authors:Robinson, D.A, Fairlamb, A.H.
Deposit date:2022-09-24
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Quinonoid dihydropteridine reductase from Leishmania major
To Be Published
8DT1
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BU of 8dt1 by Molmil
Crystal Structure of a Putative D-beta-hydroxybutyrate dehydrogenase from Burkholderia cenocepacia J2315 in complex with NAD
Descriptor: 3-hydroxybutyrate dehydrogenase, CITRIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-07-25
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of a Putative D-beta-hydroxybutyrate dehydrogenase from Burkholderia cenocepacia J2315 in complex with NAD
To Be Published
7ULH
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BU of 7ulh by Molmil
Crystal Structure of a Short chain dehydrogenase from Mycobacterium avium 104
Descriptor: Short chain dehydrogenase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-04-04
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Crystal Structure of a Short chain dehydrogenase from Mycobacterium avium 104
to be published
7E6O
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BU of 7e6o by Molmil
Crystal structure of polyol dehydrogenase from Paracoccus denitrificans
Descriptor: Short-chain dehydrogenase/reductase SDR
Authors:Sha, F, Zheng, Y.C.
Deposit date:2021-02-22
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of polyol dehydrogenase from Paracoccus denitrificans
To Be Published
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
7E3X
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BU of 7e3x by Molmil
Crystal structure of SDR family NAD(P)-dependent oxidoreductase from exiguobacterium
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase
Authors:Chen, L, Tang, J, Yuan, S, Zhang, F, Chen, S.
Deposit date:2021-02-09
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structure-guided evolution of a ketoreductase forefficient and stereoselective bioreduction of bulkyalpha-aminobeta-keto esters
Catalysis Science And Technology, 2021
7E28
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BU of 7e28 by Molmil
Crystal structure of SDR family NAD(P)-dependent oxidoreductase from Exiguobacterium
Descriptor: Oxidoreductase
Authors:Chen, L, Tang, J, Yuan, S.
Deposit date:2021-02-05
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure-guided evolution of a ketoreductase forefficient and stereoselective bioreduction of bulkyalpha-aminobeta-keto esters
Catalysis Science And Technology, 2021
7E24
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BU of 7e24 by Molmil
Crystal structure of SDR family NAD(P)-dependent oxidoreductase from Exiguobacterium
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase
Authors:Chen, L, Tang, J, Yuan, S.
Deposit date:2021-02-04
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7203 Å)
Cite:Structure-guided evolution of a ketoreductase forefficient and stereoselective bioreduction of bulkyalpha-aminobeta-keto esters
Catalysis Science And Technology, 2021
7ONU
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BU of 7onu by Molmil
Structure of human mitochondrial RNase P in complex with mitochondrial pre-tRNA-Tyr
Descriptor: 3-hydroxyacyl-CoA dehydrogenase type-2, MAGNESIUM ION, Mitochondrial Precursor tRNA-Tyr, ...
Authors:Bhatta, A, Dienemann, C, Cramer, P, Hillen, H.S.
Deposit date:2021-05-26
Release date:2021-08-11
Last modified:2021-09-29
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of RNA processing by human mitochondrial RNase P.
Nat.Struct.Mol.Biol., 28, 2021
7N09
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BU of 7n09 by Molmil
Structural basis for branched substrate selectivity in a ketoreductase from Ascaris suum
Descriptor: 3-hydroxyacyl-CoA dehydrogenase type-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Dong, H, Chang, M.C.Y.
Deposit date:2021-05-25
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Branched Substrate Selectivity in a Ketoreductase from Ascaris suum
Acs Catalysis, 11, 2021
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
7LGB
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BU of 7lgb by Molmil
ChsB1 in complex with NAD+
Descriptor: 3-ketoacyl-ACP reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Yuan, T, Werman, J.M, Yin, X, Yang, M, Garcia-Diaz, M, Sampson, N.S.
Deposit date:2021-01-19
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Enzymatic beta-Oxidation of the Cholesterol Side Chain in Mycobacterium tuberculosis Bifurcates Stereospecifically at Hydration of 3-Oxo-cholest-4,22-dien-24-oyl-CoA.
Acs Infect Dis., 7, 2021
7LG9
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BU of 7lg9 by Molmil
ChsB1
Descriptor: 3-ketoacyl-ACP reductase
Authors:Yuan, T, Werman, J.M, Yin, X, Yang, M, Garcia-Diaz, M, Sampson, N.S.
Deposit date:2021-01-19
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Enzymatic beta-Oxidation of the Cholesterol Side Chain in Mycobacterium tuberculosis Bifurcates Stereospecifically at Hydration of 3-Oxo-cholest-4,22-dien-24-oyl-CoA.
Acs Infect Dis., 7, 2021
7JK9
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BU of 7jk9 by Molmil
Helical filaments of plant light-dependent protochlorophyllide oxidoreductase (LPOR) bound to NADPH, Pchlide, and membrane
Descriptor: 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Protochlorophyllide, ...
Authors:Nguyen, H.C, Gabruk, M, Frost, A.
Deposit date:2020-07-28
Release date:2021-03-17
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Photocatalytic LPOR forms helical lattices that shape membranes for chlorophyll synthesis.
Nat.Plants, 7, 2021
6YC8
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BU of 6yc8 by Molmil
Crystal structure of KRED1-Pglu enzyme
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Di Pisa, F.
Deposit date:2020-03-18
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural insights into the desymmetrization of bulky 1,2-dicarbonyls through enzymatic monoreduction.
Bioorg.Chem., 108, 2021
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
6ZE0
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BU of 6ze0 by Molmil
Orthorhombic crystal structure of the bulky-bulky ketone specific alcohol dehydrogenase from Comamonas testosteroni
Descriptor: alcohol dehydrogenase
Authors:Toelzer, C, Niefind, K.
Deposit date:2020-06-15
Release date:2020-11-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Expanding the Application Range of Microbial Oxidoreductases by an Alcohol Dehydrogenase from Comamonas testosteroni with a Broad Substrate Spectrum and pH Profile
Catalysts, 2020

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PDB entries from 2024-05-22

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