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PDB: 786 件

6FZ2
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Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound
分子名称: GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, MAGNESIUM ION, ...
著者Kersten, F.C, Brenk, R, Jaenicke, E.
登録日2018-03-13
公開日2019-03-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System.
J.Med.Chem., 63, 2020
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
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
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
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
8OQU
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-92
分子名称: 3-hydroxyacyl-CoA dehydrogenase, 4-chloranylbenzenesulfonic 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 (2.89 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
5HUT
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Structure of Candida albicans trehalose-6-phosphate synthase in complex with UDP-glucose
分子名称: Alpha,alpha-trehalose-phosphate synthase [UDP-forming], PENTAETHYLENE GLYCOL, SODIUM ION, ...
著者Miao, Y, Brennan, R.G.
登録日2016-01-27
公開日2017-05-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design.
MBio, 8, 2017
5F6F
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S. aureus MepR G34R Mutant
分子名称: MarR family regulatory protein
著者Newman, C.E, Birukou, I, Brennan, R.G.
登録日2015-12-05
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献S. aureus MepR G34R Mutant
To Be Published
8TQO
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Eukaryotic translation initiation factor 2B tetramer
分子名称: Translation initiation factor eIF-2B subunit beta, Translation initiation factor eIF-2B subunit delta, Translation initiation factor eIF-2B subunit epsilon, ...
著者Wang, L, Lawrence, R, Sangwan, S, Anand, A, Shoemaker, S, Deal, A, Marqusee, S, Watler, P.
登録日2023-08-08
公開日2023-12-06
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献A helical fulcrum in eIF2B coordinates allosteric regulation of stress signaling.
Nat.Chem.Biol., 20, 2024
8TQZ
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BU of 8tqz by Molmil
Eukaryotic translation initiation factor 2B with a mutation (L516A) in the delta subunit
分子名称: Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, Translation initiation factor eIF-2B subunit delta, ...
著者Wang, L, Lawrence, R, Sangwan, S, Anand, A, Shoemaker, S, Deal, A, Marqusee, S, Watler, P.
登録日2023-08-08
公開日2023-12-06
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献A helical fulcrum in eIF2B coordinates allosteric regulation of stress signaling.
Nat.Chem.Biol., 20, 2024
5FFZ
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S. aureus MepR bound to ethidium bromide
分子名称: ETHIDIUM, MarR family regulatory protein, POTASSIUM ION
著者Birukou, I, Newman, C.E, Brennan, R.G.
登録日2015-12-19
公開日2016-12-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.585 Å)
主引用文献S. aureus MepR bound to ethidium bromide
To Be Published
5FB2
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S. aureus MepR F27L Mutant bound to oligodeoxyribonucleotide
分子名称: DNA (5'-D(*CP*GP*TP*TP*A)-3'), GLYCEROL, MarR family regulatory protein
著者Birukou, I, Newman, C.E, Brennan, R.G.
登録日2015-12-13
公開日2016-12-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献S. aureus MepR F27L Mutant bound to oligodeoxyribonucleotide
To Be Published
6GNV
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BU of 6gnv by Molmil
Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a isopropyl methyl indole aryl sulphonamide ligand
分子名称: GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ...
著者Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D.
登録日2018-05-31
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
6GNH
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BU of 6gnh by Molmil
Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and an Azepanyl Phenyl Benzylsulphonamide Ligand
分子名称: Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate
著者Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D.
登録日2018-05-30
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
6GNS
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BU of 6gns by Molmil
Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and an Azepanyl Phenyl Benzylsulphonamide Ligand
分子名称: Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate
著者Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D.
登録日2018-05-31
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
5HVO
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BU of 5hvo by Molmil
Structure of Aspergillus fumigatus trehalose-6-phosphate synthase B in complex with UDP and validoxylamine A
分子名称: (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, Alpha,alpha-trehalose-phosphate synthase (UDP-forming), URIDINE-5'-DIPHOSPHATE
著者Miao, Y, Brennan, R.G.
登録日2016-01-28
公開日2017-05-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.467 Å)
主引用文献Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design.
MBio, 8, 2017
5HGR
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BU of 5hgr by Molmil
Structure of Anabaena (Nostoc) sp. PCC 7120 Orange Carotenoid Protein binding canthaxanthin
分子名称: Orange Carotenoid Protein (OCP), beta,beta-carotene-4,4'-dione
著者Sutter, M, Leverenz, R.L, Kerfeld, C.A.
登録日2016-01-08
公開日2016-11-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.681 Å)
主引用文献Different Functions of the Paralogs to the N-Terminal Domain of the Orange Carotenoid Protein in the Cyanobacterium Anabaena sp. PCC 7120.
Plant Physiol., 171, 2016
8OPX
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BU of 8opx by Molmil
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
8OPU
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BU of 8opu by Molmil
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
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
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

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件を2024-07-10に公開中

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