8EUT
| Co-crystal structure of Chaetomium glucosidase with compound 27 | Descriptor: | (2R,3R,4R,5S)-1-[8-(furan-2-yl)octyl]-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2022-10-19 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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8EKN
| Co-crystal structure of Chaetomium glucosidase with compound 15 | Descriptor: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({[(5P)-3-methyl-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2022-09-21 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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8ER4
| Co-crystal structure of Chaetomium glucosidase with compound 23 | Descriptor: | (2R,3R,4R,5S)-1-(2-{6-[2-(4-azido-2-nitroanilino)ethyl]pyrazin-2-yl}ethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2022-10-11 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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8EUD
| Co-crystal structure of Chaetomium glucosidase with compound 22 | Descriptor: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-methyl-5-(pyrimidin-2-yl)-1H-benzimidazol-1-yl]hexyl}piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2022-10-18 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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8EPO
| Co-crystal structure of Chaetomium glucosidase with compound 18 | Descriptor: | (3P)-3-(5,6-dihydro-1,4-dioxin-2-yl)-5-{[(3-{[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl}phenyl)methyl]amino}benzonitrile, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2022-10-06 | Release date: | 2023-02-22 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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8EID
| Co-crystal structure of Chaetomium glucosidase with compound 14 | Descriptor: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({[(5P)-3-(methanesulfonyl)-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2022-09-14 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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8EPR
| Co-crystal structure of Chaetomium glucosidase with compound 19 | Descriptor: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[3-({[(5M)-3-(methanesulfonyl)-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2022-10-06 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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8EQ7
| Co-crystal structure of Chaetomium glucosidase with compound 20 | Descriptor: | (2R,3R,4R,5S)-1-[(3-{[3-bromo-5-(methanesulfonyl)anilino]methyl}phenyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2022-10-07 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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7K9O
| Co-crystal structure of alpha glucosidase with compound 3 | Descriptor: | (1~{S},2~{S},3~{R},4~{S},5~{S})-1-(hydroxymethyl)-5-[6-[[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-(1,2,3,4-tetrazol-1-yl)phenyl]amino]hexylamino]cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Alpha glucosidase 2 alpha neutral subunit, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2020-09-29 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity. J.Med.Chem., 64, 2021
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3RT1
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5YIY
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5YIT
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3RSZ
| Maltodextran bound basal state conformation of yeast glycogen synthase isoform 2 | Descriptor: | Glycogen [starch] synthase isoform 2, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Baskaran, S, Hurley, T.D. | Deposit date: | 2011-05-02 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.009 Å) | Cite: | Multiple Glycogen-binding Sites in Eukaryotic Glycogen Synthase Are Required for High Catalytic Efficiency toward Glycogen. J.Biol.Chem., 286, 2011
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1C9E
| STRUCTURE OF FERROCHELATASE WITH COPPER(II) N-METHYLMESOPORPHYRIN COMPLEX BOUND AT THE ACTIVE SITE | Descriptor: | MAGNESIUM ION, N-METHYLMESOPORPHYRIN CONTAINING COPPER, PROTOHEME FERROLYASE | Authors: | Lecerof, D, Fodje, M.N, Hansson, A, Hansson, M, Al-Karadaghi, S. | Deposit date: | 1999-08-02 | Release date: | 2000-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and mechanistic basis of porphyrin metallation by ferrochelatase. J.Mol.Biol., 297, 2000
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3M4Z
| Crystal Structure of B. subtilis ferrochelatase with Cobalt bound at the active site | Descriptor: | CHLORIDE ION, COBALT (II) ION, Ferrochelatase, ... | Authors: | Soderberg, C.A.G, Hansson, M.D, Sreekanth, R, Al-Karadaghi, S, Hansson, M. | Deposit date: | 2010-03-12 | Release date: | 2010-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Bacterial ferrochelatase goes human: Tyr13 determines the apparent metal specificity of Bacillus subtilis ferrochelatase To be Published
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6SRT
| Endolysine N-acetylmuramoyl-L-alanine amidase LysCS from Clostridium intestinale URNW | Descriptor: | GLYCEROL, N-acetylmuramoyl-L-alanine amidase, PHOSPHATE ION, ... | Authors: | Hakansson, M, Al-Karadaghi, S, Plotka, M, Kaczorowska, A.-K, Kaczorowski, T. | Deposit date: | 2019-09-06 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Structure and function of endolysines LysCS, LysC from Clostridium intestinale To Be Published
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4UOE
| Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 5'-Deoxy-5'-Methylioadenosine and 4-Aminomethylaniline | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-(aminomethyl)aniline, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ... | Authors: | Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Person, L. | Deposit date: | 2014-06-03 | Release date: | 2014-10-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design. Acta Crystallogr.,Sect.D, 71, 2015
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1DD5
| CRYSTAL STRUCTURE OF THERMOTOGA MARITIMA RIBOSOME RECYCLING FACTOR, RRF | Descriptor: | ACETIC ACID, RIBOSOME RECYCLING FACTOR | Authors: | Selmer, M, Al-Karadaghi, S, Hirokawa, G, Kaji, A, Liljas, A. | Deposit date: | 1999-11-08 | Release date: | 1999-12-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure of Thermotoga maritima ribosome recycling factor: a tRNA mimic. Science, 286, 1999
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1DOZ
| CRYSTAL STRUCTURE OF FERROCHELATASE | Descriptor: | FERROCHELATASE, MAGNESIUM ION | Authors: | Lecerof, D, Fodje, M, Hansson, A, Hansson, M, Al-Karadaghi, S. | Deposit date: | 1999-12-22 | Release date: | 2000-01-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and mechanistic basis of porphyrin metallation by ferrochelatase. J.Mol.Biol., 297, 2000
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2VDA
| Solution structure of the SecA-signal peptide complex | Descriptor: | MALTOPORIN, TRANSLOCASE SUBUNIT SECA | Authors: | Gelis, I, Bonvin, A.M.J.J, Keramisanou, D, Koukaki, M, Gouridis, G, Karamanou, S, Economou, A, Kalodimos, C.G. | Deposit date: | 2007-10-01 | Release date: | 2007-11-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis for Signal-Sequence Recognition by the Translocase Motor Seca as Determined by NMR Cell(Cambridge,Mass.), 131, 2007
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6SU5
| Ph2119 endolysin from Thermus scotoductus MAT2119 bacteriophage Ph2119 | Descriptor: | GLYCEROL, Lysozyme, PHOSPHATE ION, ... | Authors: | Hakansson, M, Al-Karadaghi, S, Plotka, M, Kaczorowska, A.K, Kaczorowski, T. | Deposit date: | 2019-09-13 | Release date: | 2020-09-30 | Last modified: | 2021-04-14 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Molecular Characterization of a Novel Lytic Enzyme LysC from Clostridium intestinale URNW and Its Antibacterial Activity Mediated by Positively Charged N -Terminal Extension. Int J Mol Sci, 21, 2020
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1DAR
| ELONGATION FACTOR G IN COMPLEX WITH GDP | Descriptor: | ELONGATION FACTOR G, GUANOSINE-5'-DIPHOSPHATE | Authors: | Al-Karadaghi, S, Aevarsson, A, Garber, M, Zheltonosova, J, Liljas, A. | Deposit date: | 1996-02-15 | Release date: | 1996-07-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The structure of elongation factor G in complex with GDP: conformational flexibility and nucleotide exchange. Structure, 4, 1996
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6SSC
| N-acetylmuramoyl-L-alanine amidase LysC from Clostridium intestinale URNW | Descriptor: | GLYCEROL, N-acetylmuramoyl-L-alanine amidase, PHOSPHATE ION, ... | Authors: | Hakansson, M, Al-Karadaghi, S, Kovacic, R, Plotka, M, Kaczorowska, A.K, Kaczorowski, T. | Deposit date: | 2019-09-06 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Molecular Characterization of a Novel Lytic Enzyme LysC from Clostridium intestinale URNW and Its Antibacterial Activity Mediated by Positively Charged N -Terminal Extension. Int J Mol Sci, 21, 2020
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1C1H
| CRYSTAL STRUCTURE OF BACILLUS SUBTILIS FERROCHELATASE IN COMPLEX WITH N-METHYL MESOPORPHYRIN | Descriptor: | FERROCHELATASE, MAGNESIUM ION, N-METHYLMESOPORPHYRIN | Authors: | Lecerof, D, Fodje, M, Hansson, A, Hansson, M, Al-Karadaghi, S. | Deposit date: | 1999-07-22 | Release date: | 2000-03-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and mechanistic basis of porphyrin metallation by ferrochelatase. J.Mol.Biol., 297, 2000
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2X31
| Modelling of the complex between subunits BchI and BchD of magnesium chelatase based on single-particle cryo-EM reconstruction at 7.5 ang | Descriptor: | MAGNESIUM-CHELATASE 38 KDA SUBUNIT, MAGNESIUM-CHELATASE 60 KDA SUBUNIT | Authors: | Lunqvist, J, Elmlund, H, Peterson Wulff, R, Berglund, L, Elmlund, D, Emanuelsson, C, Hebert, H, Willows, R.D, Hansson, M, Lindahl, M, Al-Karadaghi, S. | Deposit date: | 2010-01-19 | Release date: | 2010-11-10 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7.5 Å) | Cite: | ATP-Induced Conformational Dynamics in the Aaa+ Motor Unit of Magnesium Chelatase. Structure, 18, 2010
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