8OPY
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![BU of 8opy by Molmil](/molmil-images/mine/8opy) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-B-DNQ | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, 6,7-DINITROQUINOXALINE-2,3-DIONE, GLYCEROL, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2023-04-10 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 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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8OQV
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8OPV
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5HUU
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![BU of 5huu by Molmil](/molmil-images/mine/5huu) | Structure of Candida albicans trehalose-6-phosphate synthase in complex with UDP and glucose-6-phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Alpha,alpha-trehalose-phosphate synthase [UDP-forming], URIDINE-5'-DIPHOSPHATE | 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 (2.37 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
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5HVM
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![BU of 5hvm by Molmil](/molmil-images/mine/5hvm) | Structure of Aspergillus fumigatus trehalose-6-phosphate synthase A 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: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.815 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
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7TEC
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7ZSC
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![BU of 7zsc by Molmil](/molmil-images/mine/7zsc) | Crystal structure of the heterodimeric human C-P4H-II with truncated alpha subunit (C-P4H-II delta281) | Descriptor: | Prolyl 4-hydroxylase subunit alpha-2, Protein disulfide-isomerase, SULFATE ION | Authors: | Lebedev, A, Koski, M.K, Wierenga, R.K, Murthy, A.V, Sulu, R. | Deposit date: | 2022-05-06 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.85 Å) | Cite: | Crystal structure of the collagen prolyl 4-hydroxylase (C-P4H) catalytic domain complexed with PDI: Toward a model of the C-P4H alpha 2 beta 2 tetramer. J.Biol.Chem., 298, 2022
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5HVL
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![BU of 5hvl by Molmil](/molmil-images/mine/5hvl) | Structure of Candida albicans trehalose-6-phosphate synthase 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], SULFATE ION, ... | Authors: | Miao, Y, Brennan, R.G. | Deposit date: | 2016-01-28 | Release date: | 2017-05-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.796 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
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6TP5
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![BU of 6tp5 by Molmil](/molmil-images/mine/6tp5) | Crystal structure of human Transmembrane prolyl 4-hydroxylase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Myllykoski, M, Sutinen, A, Koski, M.K, Kallio, J.P, Raasakka, A, Myllyharju, J, Wierenga, R.K, Koivunen, P. | Deposit date: | 2019-12-12 | Release date: | 2020-12-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of transmembrane prolyl 4-hydroxylase reveals unique organization of EF and dioxygenase domains. J.Biol.Chem., 296, 2020
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5HK0
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7MDL
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![BU of 7mdl by Molmil](/molmil-images/mine/7mdl) | High-resolution crystal structure of human SepSecS-tRNASec complex | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, CITRATE ANION, O-phosphoseryl-tRNA(Sec) selenium transferase, ... | Authors: | Puppala, A, French, R.L, Simonovic, M. | Deposit date: | 2021-04-05 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural basis for the tRNA-dependent activation of the terminal complex of selenocysteine synthesis in humans. Nucleic Acids Res., 2023
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8PJ0
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![BU of 8pj0 by Molmil](/molmil-images/mine/8pj0) | Pseudomonas aeruginosa FabF C164A mutant in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methylbutanamide | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Georgiou, C, Brenk, R, Espeland, L.O. | Deposit date: | 2023-06-22 | Release date: | 2024-02-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection. Rsc Med Chem, 15, 2024
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8FO1
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8QAC
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5HJZ
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5HKC
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6TS9
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![BU of 6ts9 by Molmil](/molmil-images/mine/6ts9) | Crystal structure of GES-5 carbapenemase | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, Beta-lactamase, ... | Authors: | Maso, L, Tondi, D, Klein, R, Montanari, M, Bellio, C, Celenza, G, Brenk, R, Cendron, L. | Deposit date: | 2019-12-20 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Targeting the Class A Carbapenemase GES-5 via Virtual Screening. Biomolecules, 10, 2020
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4UWJ
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![BU of 4uwj by Molmil](/molmil-images/mine/4uwj) | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a capped pyrazole sulphonamide ligand | Descriptor: | 2,6-dichloro-N-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | Authors: | Robinson, D.A, Brand, S, Norcross, N.R, Thompson, S, Harrison, J.R, Smith, V.C, Torrie, L.S, McElroy, S.P, Hallyburton, I, Norval, S, Stojanovski, L, Simeons, F.R.C, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2014-08-12 | Release date: | 2014-12-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis. J. Med. Chem., 57, 2014
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4UWI
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![BU of 4uwi by Molmil](/molmil-images/mine/4uwi) | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand | Descriptor: | 2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | Authors: | Robinson, D.A, Brand, S, Norcross, N.R, Thompson, S, Harrison, J.R, Smith, V.C, Torrie, L.S, McElroy, S.P, Hallyburton, I, Norval, S, Stojanovski, L, Simeons, F.R.C, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2014-08-12 | Release date: | 2014-12-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis. J. Med. Chem., 57, 2014
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6EVO
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![BU of 6evo by Molmil](/molmil-images/mine/6evo) | Crystal structure the peptide-substrate-binding domain of human type II collagen prolyl 4-hydroxylase complexed with Pro-Pro-Gly-Pro-Arg-Gly-Pro-Pro-Gly. | Descriptor: | DIMETHYL SULFOXIDE, PRO-PRO-GLY-PRO-ARG-GLY-PRO-PRO-GLY, Prolyl 4-hydroxylase subunit alpha-2, ... | Authors: | Murthy, A.V, Sulu, R, Koski, M.K, Wierenga, R.K. | Deposit date: | 2017-11-02 | Release date: | 2018-09-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural enzymology binding studies of the peptide-substrate-binding domain of human collagen prolyl 4-hydroxylase (type-II): High affinity peptides have a PxGP sequence motif. Protein Sci., 27, 2018
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6EVM
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![BU of 6evm by Molmil](/molmil-images/mine/6evm) | Crystal structure of a Pro-9 complexed peptide-substrate-binding domain of human type II collagen prolyl 4-hydroxylase | Descriptor: | DIMETHYL SULFOXIDE, Pro-9, Prolyl 4-hydroxylase subunit alpha-2, ... | Authors: | Murthy, A.V, Sulu, R, Koski, M.K, Wierenga, R.K. | Deposit date: | 2017-11-02 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural enzymology binding studies of the peptide-substrate-binding domain of human collagen prolyl 4-hydroxylase (type-II): High affinity peptides have a PxGP sequence motif. Protein Sci., 27, 2018
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6EVN
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![BU of 6evn by Molmil](/molmil-images/mine/6evn) | Crystal structure of peptide-substrate-binding domain of human type II collagen prolyl 4-hydroxylase complex with Pro-Pro-Gly-Pro-Ala-Gly-Pro-Pro-Gly. | Descriptor: | DIMETHYL SULFOXIDE, PRO-PRO-GLY-PRO-ALA-GLY-PRO-PRO-GLY, Prolyl 4-hydroxylase subunit alpha-2, ... | Authors: | Murthy, A.V, Sulu, R, Koski, M.K, Wierenga, R.K. | Deposit date: | 2017-11-02 | Release date: | 2018-09-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structural enzymology binding studies of the peptide-substrate-binding domain of human collagen prolyl 4-hydroxylase (type-II): High affinity peptides have a PxGP sequence motif. Protein Sci., 27, 2018
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6EVL
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![BU of 6evl by Molmil](/molmil-images/mine/6evl) | Crystal structure of an unlignaded peptide-substrate-binding domain of human type II collagen prolyl 4-hydroxylase | Descriptor: | DIMETHYL SULFOXIDE, GLYCINE, Prolyl 4-hydroxylase subunit alpha-2, ... | Authors: | Murthy, A.V, Sulu, R, Koski, M.K, Wierenga, R.K. | Deposit date: | 2017-11-02 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural enzymology binding studies of the peptide-substrate-binding domain of human collagen prolyl 4-hydroxylase (type-II): High affinity peptides have a PxGP sequence motif. Protein Sci., 27, 2018
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6EVP
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![BU of 6evp by Molmil](/molmil-images/mine/6evp) | Crystal structure the peptide-substrate-binding domain of human type II collagen prolyl 4-hydroxylase complexed with Pro-Pro-Gly-Pro-Glu-Gly-Pro-Pro-Gly. | Descriptor: | DIMETHYL SULFOXIDE, PRO-PRO-GLY-PRO-GLU-GLY-PRO-PRO-GLY, Prolyl 4-hydroxylase subunit alpha-2, ... | Authors: | Murthy, A.V, Sulu, R, Koski, M.K, Wierenga, R.K. | Deposit date: | 2017-11-02 | Release date: | 2018-09-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural enzymology binding studies of the peptide-substrate-binding domain of human collagen prolyl 4-hydroxylase (type-II): High affinity peptides have a PxGP sequence motif. Protein Sci., 27, 2018
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6WEG
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