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6NJ7
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BU of 6nj7 by Molmil
11-BETA DEHYDROGENASE ISOZYME 1 IN COMPLEX WITH COLLETOIC ACID
Descriptor: (1S,4S,5S,9S)-9-hydroxy-8-methyl-4-(propan-2-yl)spiro[4.5]dec-7-ene-1-carboxylic acid, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Miller, D.J, Rivas, F.
Deposit date:2019-01-02
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mechanistic Insight on the Mode of Action of Colletoic Acid.
J.Med.Chem., 62, 2019
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:2021-10-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Photocatalytic LPOR forms helical lattices that shape membranes for chlorophyll synthesis.
Nat.Plants, 7, 2021
6UJK
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BU of 6ujk by Molmil
Crystal Structure of a Probable short-chain type dehydrogenase/reductase (Rv1144) from Mycobacterium tuberculosis with bound NAD
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-10-03
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structure of a Probable short-chain type dehydrogenase/reductase (Rv1144) from Mycobacterium tuberculosis with bound NAD
to be published
4RZH
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BU of 4rzh by Molmil
Crystal structure of FabG from Synechocystis sp. PCC 6803
Descriptor: 3-oxoacyl-[acyl-carrier protein] reductase
Authors:Liu, Y, Xue, S.
Deposit date:2014-12-22
Release date:2015-09-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-directed construction of a high-performance version of the enzyme FabG from the photosynthetic microorganism Synechocystis sp. PCC 6803.
Febs Lett., 589, 2015
4WEO
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BU of 4weo by Molmil
Crystal Structure of a Putative acetoin(Diacetyl) Reductase Burkholderia cenocepacia
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-09-10
Release date:2014-09-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of a Putative acetoin(Diacetyl) Reductase Burkholderia cenocepacia
to be published
4TRR
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BU of 4trr by Molmil
Crystal structure of a putative Putative D-beta-hydroxybutyrate dehydrogenase from Burkholderia cenocepacia J2315
Descriptor: 1,2-ETHANEDIOL, Putative D-beta-hydroxybutyrate dehydrogenase, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-06-17
Release date:2014-08-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a putative Putative D-beta-hydroxybutyrate dehydrogenase from Burkholderia cenocepacia J2315
to be published
6USN
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BU of 6usn by Molmil
Co-crystal structure of SPR with compound 5
Descriptor: (2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Huang, X, Wang, K.
Deposit date:2019-10-28
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.773 Å)
Cite:Virtual screening to identify potent sepiapterin reductase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
4XGN
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BU of 4xgn by Molmil
Crystal structure of 3-hydroxyacyl-CoA dehydrogenase in complex with NAD from Burkholderia thailandensis
Descriptor: 1,2-ETHANEDIOL, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-12-31
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of 3-hydroxyacyl-CoA dehydrogenase in complex with NAD from Burkholderia thailandensis
to be published
5FYD
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BU of 5fyd by Molmil
Structural and biochemical insights into 7beta-hydroxysteroid dehydrogenase stereoselectivity
Descriptor: GLYCEROL, OXIDOREDUCTASE, SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY PROTEIN
Authors:Savino, S, Ferrandi, E, Forneris, F, Rovida, S, Riva, S, Monti, D, Mattevi, A.
Deposit date:2016-03-07
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Biochemical Insights Into 7Beta-Hydroxysteroid Dehydrogenase Stereoselectivity.
Proteins, 84, 2016
5GT9
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BU of 5gt9 by Molmil
The X-ray structure of 7beta-hydroxysteroid dehydrogenase
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase, short chain dehydrogenase/reductase family protein
Authors:Wang, F, Wang, R, Lv, Z, Chen, Q, Huo, X.
Deposit date:2016-08-19
Release date:2017-05-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of NADP(+)-bound 7 beta-hydroxysteroid dehydrogenase reveals two cofactor-binding modes
Acta Crystallogr F Struct Biol Commun, 73, 2017
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
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
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
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
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
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
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
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
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
5LDG
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BU of 5ldg by Molmil
Isopiperitenone reductase from Mentha piperita in complex with Isopiperitenone and NADP
Descriptor: (-)-Isopiperitenone, (-)-isopiperitenone reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S.
Deposit date:2016-06-26
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Pinpointing a Mechanistic Switch Between Ketoreduction and "Ene" Reduction in Short-Chain Dehydrogenases/Reductases.
Angew.Chem.Int.Ed.Engl., 55, 2016
5LCX
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BU of 5lcx by Molmil
Isopiperitenone reductase from Mentha piperita in complex with NADP
Descriptor: (-)-isopiperitenone reductase, (4S)-2-METHYL-2,4-PENTANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S.
Deposit date:2016-06-22
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.709 Å)
Cite:Pinpointing a Mechanistic Switch Between Ketoreduction and "Ene" Reduction in Short-Chain Dehydrogenases/Reductases.
Angew.Chem.Int.Ed.Engl., 55, 2016
6R48
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BU of 6r48 by Molmil
Crystal structure of LPOR (Synechocystis) complexed with NADPH at 1.87A resolution.
Descriptor: CHLORIDE ION, Light-dependent protochlorophyllide reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhou, A, Feng, L.
Deposit date:2019-03-22
Release date:2019-10-30
Last modified:2020-05-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis.
Nature, 574, 2019
6R46
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BU of 6r46 by Molmil
Crystal structure of LPOR (Thermosynechococcus elongatus) complexed with NADP+ at 2.5A resolution
Descriptor: CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-protochlorophyllide oxidoreductase, ...
Authors:Zhou, A, Feng, L.
Deposit date:2019-03-22
Release date:2019-10-30
Last modified:2020-05-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis.
Nature, 574, 2019
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

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数据于2024-03-13公开中

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