5MF3
 
 | | NMR solution structure of Harzianin HK-VI in SDS micelles | | Descriptor: | Harzianin HK-VI | | Authors: | Kara, S, Zamora-Carreras, H, Afonin, S, Grage, S.L, Ulrich, A.S, Jimenez, M.A. | | Deposit date: | 2016-11-17 | | Release date: | 2018-06-13 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | 11-mer peptaibol Harzianin HK-VI: conformational and biological analysis
To Be Published
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5M9Y
 | | NMR solution structure of Harzianin HK-VI in DPC micelles | | Descriptor: | Harzianin HK-VI | | Authors: | Kara, S, Zamora-Carreras, H, Afonin, S, Grage, S.L, Ulrich, A.S, Jimenez, M.A. | | Deposit date: | 2016-11-02 | | Release date: | 2018-02-28 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | 11-mer peptaibol Harzianin VI: conformational and biological analysis
To Be Published
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5MF8
 | | NMR solution structure of Harzianin HK-VI in trifluoroethanol | | Descriptor: | Harzianin HK-VI | | Authors: | Kara, S, Zamora-Carreras, H, Afonin, S, Grage, S.L, Ulrich, A.S, Jimenez, M.A. | | Deposit date: | 2016-11-17 | | Release date: | 2018-06-13 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | 11-mer peptaibol Harzianin HK-VI: conformational and biological analysis
To Be Published
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5SUK
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7FCR
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7FCS
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6ICR
 | | LdCoroCC mutant- C482A | | Descriptor: | 1,2-ETHANEDIOL, Coronin-like protein | | Authors: | Karade, S.S, Srivastava, V.K, Ansari, A, Pratap, J.V. | | Deposit date: | 2018-09-06 | | Release date: | 2019-10-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Molecular and structural analysis of a mechanical transition of helices in the L. donovani coronin coiled-coil domain.
Int.J.Biol.Macromol., 143, 2020
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7REV
 | | Co-crystal structure of Chaetomium glucosidase with compound 3 | | Descriptor: | (2R,3R,4R,5S)-1-[(4-{[4-(furan-2-yl)-2-methylanilino]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: | 2021-07-13 | | Release date: | 2022-08-03 | | 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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6R0H
 | | Glycogen Phosphorylase b in complex with 3 | | Descriptor: | 3-(4-fluorophenyl)-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide, Glycogen phosphorylase, muscle form, ... | | Authors: | Tsagkarakou, S.A, Koulas, M.S, Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2019-03-13 | | Release date: | 2019-04-10 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | High Consistency of Structure-Based Design and X-Ray Crystallography: Design, Synthesis, Kinetic Evaluation and Crystallographic Binding Mode Determination of Biphenyl-N-acyl-beta-d-Glucopyranosylamines as Glycogen Phosphorylase Inhibitors.
Molecules, 24, 2019
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4EXV
 | | Structure of Kluyveromyces lactis Hsv2p | | Descriptor: | SULFATE ION, SVP1-like protein 2 | | Authors: | Baskaran, S, Hurley, J.H. | | Deposit date: | 2012-05-01 | | Release date: | 2012-07-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Two-Site Recognition of Phosphatidylinositol 3-Phosphate by PROPPINs in Autophagy.
Mol.Cell, 47, 2012
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7R6J
 | | Co-crystal structure of Chaetomium glucosidase with compound 1 | | Descriptor: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[3-methyl-5-(pyrimidin-2-yl)anilino]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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2021-06-22 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.905 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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7RD2
 | | Co-crystal structure of Chaetomium glucosidase with compound 2 | | Descriptor: | (2R,3R,4R,5S)-1-{[4-({4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-nitroanilino}methyl)phenyl]methyl}-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2021-07-09 | | Release date: | 2023-02-22 | | Last modified: | 2023-03-01 | | Method: | X-RAY DIFFRACTION (2.61 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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7T6W
 | | Crystal structure of Chaetomium Glucosidase I (apo) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, GLYCEROL, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2021-12-14 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification of Endoplasmic Reticulum alpha-Glucosidase I from a Thermophilic Fungus as a Platform for Structure-Guided Antiviral Drug Design.
Biochemistry, 61, 2022
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7T8V
 | | Co-crystal structure of Chaetomium glucosidase I with EB-0159 | | Descriptor: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(1H-1,2,3-triazol-1-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol, 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: | 2021-12-17 | | Release date: | 2022-05-04 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of Endoplasmic Reticulum alpha-Glucosidase I from a Thermophilic Fungus as a Platform for Structure-Guided Antiviral Drug Design.
Biochemistry, 61, 2022
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7T66
 | | Co-crystal structure of Chaetomium glucosidase with compound UV-4 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2021-12-13 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Identification of Endoplasmic Reticulum alpha-Glucosidase I from a Thermophilic Fungus as a Platform for Structure-Guided Antiviral Drug Design.
Biochemistry, 61, 2022
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7T68
 | | Co-crystal structure of Chaetomium glucosidase with compound UV-5 | | Descriptor: | (2R,3R,4R,5S)-1-[6-(4-azido-2-nitroanilino)hexyl]-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: | 2021-12-13 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Identification of Endoplasmic Reticulum alpha-Glucosidase I from a Thermophilic Fungus as a Platform for Structure-Guided Antiviral Drug Design.
Biochemistry, 61, 2022
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7KRY
 | | Co-crystal structure of alpha glucosidase with compound 11 | | Descriptor: | (1S,2S,3R,4S,5S)-5-({6-[(4-azido-2-nitrophenyl)amino]hexyl}amino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2020-11-20 | | Release date: | 2021-12-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.55 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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7L9E
 | | Crystal structure of apo-alpha glucosidase | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2021-01-03 | | Release date: | 2021-12-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.29 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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6ADO
 | | LdCoroCC mutant-I486A | | Descriptor: | Coronin-like protein | | Authors: | Karade, S.S, Ansari, A, Pratap, J.V. | | Deposit date: | 2018-08-01 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Molecular and structural analysis of a mechanical transition of helices in the L. donovani coronin coiled-coil domain.
Int.J.Biol.Macromol., 143, 2020
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6ADZ
 | | LdCoroCC Double mutant- I486A-L493A | | Descriptor: | Coronin-like protein, SULFATE ION | | Authors: | Karade, S.S, Ansari, A, Pratap, J.V. | | Deposit date: | 2018-08-02 | | Release date: | 2019-10-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.431 Å) | | Cite: | Molecular and structural analysis of a mechanical transition of helices in the L. donovani coronin coiled-coil domain.
Int.J.Biol.Macromol., 143, 2020
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3O3C
 | | Glycogen synthase basal state UDP complex | | Descriptor: | Glycogen [starch] synthase isoform 2, SULFATE ION, URIDINE-5'-DIPHOSPHATE | | Authors: | Baskaran, S, Hurley, T.D. | | Deposit date: | 2010-07-23 | | Release date: | 2010-10-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.512 Å) | | Cite: | Structural basis for glucose-6-phosphate activation of glycogen synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3NCH
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3NAZ
 | | Basal state form of Yeast Glycogen Synthase | | Descriptor: | Glycogen [starch] synthase isoform 2, PEPTIDE, SULFATE ION | | Authors: | Baskaran, S, Hurley, T.D. | | Deposit date: | 2010-06-02 | | Release date: | 2010-10-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for glucose-6-phosphate activation of glycogen synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
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8EUR
 | | Co-crystal structure of Chaetomium glucosidase with compound 26 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethyl (2-{[(1S,2S,3R,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]amino}ethyl)carbamate, Chaetomium alpha glucosidase, ... | | 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 (2.61 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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8EUX
 | | Co-crystal structure of Chaetomium glucosidase with compound 28 | | Descriptor: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{5-[4-(2-methoxyethyl)phenyl]pentyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2022-10-19 | | 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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