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PDB: 776 件

7OC0
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Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with a ligand (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid
分子名称: (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
著者Georgiou, C, Brenk, R, Espeland, L.O, Klein, R.
登録日2021-04-25
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics.
Chemmedchem, 16, 2021
6YSW
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E. coli anaerobic trifunctional enzyme subunit-alpha in complex with coenzyme A
分子名称: COENZYME A, Fatty acid oxidation complex subunit alpha, SULFATE ION
著者Sah-Teli, S.K, Hynonen, M.J, Wierenga, R.K, Venkatesan, R.
登録日2020-04-23
公開日2021-05-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structural basis for different membrane-binding properties of E. coli anaerobic and human mitochondrial beta-oxidation trifunctional enzymes
Structure, 2023
6OF0
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Structural basis for multidrug recognition and antimicrobial resistance by MTRR, an efflux pump regulator from Neisseria Gonorrhoeae
分子名称: HTH-type transcriptional regulator MtrR, PHOSPHATE ION
著者Beggs, G.A, Kumaraswami, M, Shafer, W, Brennan, R.G.
登録日2019-03-28
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural, Biochemical, and In Vivo Characterization of MtrR-Mediated Resistance to Innate Antimicrobials by the Human Pathogen Neisseria gonorrhoeae .
J.Bacteriol., 201, 2019
8PF8
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-72
分子名称: (2~{R})-3-bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boranyloxypropane-1,2-diol, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-06-15
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
5LNQ
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Crystal structure of SCP2 thiolase from Leishmania mexicana. Complex of the C123A mutant with acetoacetyl-CoA.
分子名称: 3-ketoacyl-CoA thiolase-like protein, ACETOACETYL-COENZYME A
著者Harijan, R.K, Kiema, T.-R, Wierenga, R.K.
登録日2016-08-06
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystallographic substrate binding studies of Leishmania mexicana SCP2-thiolase (type-2): unique features of oxyanion hole-1.
Protein Eng. Des. Sel., 30, 2017
4TIM
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BU of 4tim by Molmil
CRYSTALLOGRAPHIC AND MOLECULAR MODELING STUDIES ON TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE: A CRITICAL ASSESSMENT OF THE PREDICTED AND OBSERVED STRUCTURES OF THE COMPLEX WITH 2-PHOSPHOGLYCERATE
分子名称: 2-PHOSPHOGLYCERIC ACID, TRIOSEPHOSPHATE ISOMERASE
著者Nobel, M.E.M, Wierenga, R.K, Hol, W.G.J.
登録日1991-04-11
公開日1992-10-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystallographic and molecular modeling studies on trypanosomal triosephosphate isomerase: a critical assessment of the predicted and observed structures of the complex with 2-phosphoglycerate.
J.Med.Chem., 34, 1991
5MGB
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BU of 5mgb by Molmil
Crystal Structure of Rat Peroxisomal Multifunctional enzyme Type-1 (RPMFE1) Complexed with Acetoacetyl-CoA and NAD
分子名称: ACETOACETYL-COENZYME A, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Kasaragod, P, Kiema, T.-R, Schmitz, W, Hiltunen, J.K, Wierenga, R.K.
登録日2016-11-21
公開日2016-12-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural enzymology comparisons of multifunctional enzyme, type-1 (MFE1): the flexibility of its dehydrogenase part.
FEBS Open Bio, 7, 2017
7ZYI
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Structure of the human sodium/bile acid cotransporter (NTCP) in complex with Fab and nanobody
分子名称: CHOLESTEROL, GLYCOCHENODEOXYCHOLIC ACID, Nanobody, ...
著者Liu, H, Irobalieva, R.N, Bang-Sorensen, R, Nosol, K, Mukherjee, S, Agrawal, P, Stieger, B, Kossiakoff, A.A, Locher, K.P.
登録日2022-05-24
公開日2022-07-13
最終更新日2022-08-10
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Structure of human NTCP reveals the basis of recognition and sodium-driven transport of bile salts into the liver.
Cell Res., 32, 2022
6YSV
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E. coli anaerobic trifunctional enzyme subunit-alpha
分子名称: Fatty acid oxidation complex subunit alpha, SULFATE ION
著者Sah-Teli, S.K, Hynonen, M.J, Wierenga, R.K, Venkatesan, R.
登録日2020-04-23
公開日2021-05-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for different membrane-binding properties of E. coli anaerobic and human mitochondrial beta-oxidation trifunctional enzymes
Structure, 2023
1DKW
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CRYSTAL STRUCTURE OF TRIOSE-PHOSPHATE ISOMERASE WITH MODIFIED SUBSTRATE BINDING SITE
分子名称: TERTIARY-BUTYL ALCOHOL, TRIOSEPHOSPHATE ISOMERASE
著者Norledge, B.V, Lambeir, A.M, Abagyan, R.A, Rottman, A, Fernandez, A.M, Filimonov, V.V, Peter, M.G, Wierenga, R.K.
登録日1999-12-08
公開日2000-11-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Modeling, mutagenesis, and structural studies on the fully conserved phosphate-binding loop (loop 8) of triosephosphate isomerase: toward a new substrate specificity.
Proteins, 42, 2001
8OPX
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Trehalose (Fragment-B-TRE)
分子名称: 3-hydroxyacyl-CoA dehydrogenase, Putative acyltransferase Rv0859, SULFATE ION, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-10
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OQO
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-49
分子名称: 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-12
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OQT
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-91
分子名称: 3-hydroxyacyl-CoA dehydrogenase, 4-bromanylbenzenesulfonic acid, GLYCEROL, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-12
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OQL
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-1
分子名称: 3-hydroxyacyl-CoA dehydrogenase, FORMAMIDE, GLYCEROL, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-12
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OQQ
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-79
分子名称: 2-fluoranyl-5-sulfo-benzoic acid, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-12
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OPU
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Sulfamethoxazole (Fragment-B-E1)
分子名称: 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-10
公開日2024-01-24
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OPW
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Caffeine (Fragment-B-51)
分子名称: 3-hydroxyacyl-CoA dehydrogenase, CAFFEINE, GLYCEROL, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-10
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OPY
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BU of 8opy by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-B-DNQ
分子名称: 3-hydroxyacyl-CoA dehydrogenase, 6,7-DINITROQUINOXALINE-2,3-DIONE, GLYCEROL, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-10
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OQS
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-83
分子名称: 3-hydroxyacyl-CoA dehydrogenase, 4-phenylbenzenesulfonic acid, GLYCEROL, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-12
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OQV
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-109
分子名称: 3-hydroxyacyl-CoA dehydrogenase, 4-nitrobenzenesulfonic acid, GLYCEROL, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-12
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OQR
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-80
分子名称: 3-hydroxyacyl-CoA dehydrogenase, 4-cyanobenzenesulfonic acid, GLYCEROL, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-12
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OQN
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-53
分子名称: 1-benzyl-1H-pyrazole-4-carboxylic acid, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-12
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OQP
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-76
分子名称: 2-azanyl-5-sulfo-benzoic acid, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-12
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OPV
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Resveratrol (Fragment-B-H11)
分子名称: 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-10
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OQM
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-10
分子名称: 3-hydroxyacyl-CoA dehydrogenase, 6-azanyl-4-oxidanyl-naphthalene-2-sulfonic acid, GLYCEROL, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-12
公開日2024-01-24
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024

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件を2024-06-19に公開中

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