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PDB: 786 results

6FZ2
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Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound
Descriptor: GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, MAGNESIUM ION, ...
Authors:Kersten, F.C, Brenk, R, Jaenicke, E.
Deposit date:2018-03-13
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 4-bromanylbenzenesulfonic acid, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.62 Å)
Cite: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
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, FORMAMIDE, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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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BU of 8oqs by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-83
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 4-phenylbenzenesulfonic acid, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.33 Å)
Cite: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
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 4-cyanobenzenesulfonic acid, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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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BU of 8oqn by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-53
Descriptor: 1-benzyl-1H-pyrazole-4-carboxylic acid, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 2-azanyl-5-sulfo-benzoic acid, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.18 Å)
Cite: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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BU of 8oqm by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-10
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 6-azanyl-4-oxidanyl-naphthalene-2-sulfonic acid, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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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BU of 8oqu by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-92
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 4-chloranylbenzenesulfonic acid, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.89 Å)
Cite: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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BU of 5hut by Molmil
Structure of Candida albicans trehalose-6-phosphate synthase in complex with UDP-glucose
Descriptor: Alpha,alpha-trehalose-phosphate synthase [UDP-forming], PENTAETHYLENE GLYCOL, SODIUM ION, ...
Authors:Miao, Y, Brennan, R.G.
Deposit date:2016-01-27
Release date:2017-05-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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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BU of 5f6f by Molmil
S. aureus MepR G34R Mutant
Descriptor: MarR family regulatory protein
Authors:Newman, C.E, Birukou, I, Brennan, R.G.
Deposit date:2015-12-05
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:S. aureus MepR G34R Mutant
To Be Published
8TQO
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BU of 8tqo by Molmil
Eukaryotic translation initiation factor 2B tetramer
Descriptor: Translation initiation factor eIF-2B subunit beta, Translation initiation factor eIF-2B subunit delta, Translation initiation factor eIF-2B subunit epsilon, ...
Authors:Wang, L, Lawrence, R, Sangwan, S, Anand, A, Shoemaker, S, Deal, A, Marqusee, S, Watler, P.
Deposit date:2023-08-08
Release date:2023-12-06
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite: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
Descriptor: Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, Translation initiation factor eIF-2B subunit delta, ...
Authors:Wang, L, Lawrence, R, Sangwan, S, Anand, A, Shoemaker, S, Deal, A, Marqusee, S, Watler, P.
Deposit date:2023-08-08
Release date:2023-12-06
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:A helical fulcrum in eIF2B coordinates allosteric regulation of stress signaling.
Nat.Chem.Biol., 20, 2024
5FFZ
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BU of 5ffz by Molmil
S. aureus MepR bound to ethidium bromide
Descriptor: ETHIDIUM, MarR family regulatory protein, POTASSIUM ION
Authors:Birukou, I, Newman, C.E, Brennan, R.G.
Deposit date:2015-12-19
Release date:2016-12-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.585 Å)
Cite:S. aureus MepR bound to ethidium bromide
To Be Published
5FB2
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BU of 5fb2 by Molmil
S. aureus MepR F27L Mutant bound to oligodeoxyribonucleotide
Descriptor: DNA (5'-D(*CP*GP*TP*TP*A)-3'), GLYCEROL, MarR family regulatory protein
Authors:Birukou, I, Newman, C.E, Brennan, R.G.
Deposit date:2015-12-13
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ...
Authors: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.
Deposit date:2018-05-31
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate
Authors: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.
Deposit date:2018-05-30
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite: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
Descriptor: Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate
Authors: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.
Deposit date:2018-05-31
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: (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
Authors:Miao, Y, Brennan, R.G.
Deposit date:2016-01-28
Release date:2017-05-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.467 Å)
Cite: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
Descriptor: Orange Carotenoid Protein (OCP), beta,beta-carotene-4,4'-dione
Authors:Sutter, M, Leverenz, R.L, Kerfeld, C.A.
Deposit date:2016-01-08
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.681 Å)
Cite: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)
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, Putative acyltransferase Rv0859, SULFATE ION, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-10
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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)
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-10
Release date:2024-01-24
Method:X-RAY DIFFRACTION (3.04 Å)
Cite: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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BU of 8oqq by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-79
Descriptor: 2-fluoranyl-5-sulfo-benzoic acid, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.59 Å)
Cite: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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BU of 8opw by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Caffeine (Fragment-B-51)
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, CAFFEINE, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-10
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.52 Å)
Cite: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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PDB entries from 2024-07-10

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