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PDB: 157 results

5MF3
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BU of 5mf3 by Molmil
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
5M9Y
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BU of 5m9y by Molmil
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
5MF8
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BU of 5mf8 by Molmil
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
7FCR
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BU of 7fcr by Molmil
Crystal structure of the N-terminal domain of mutants of Human Apolipoprotein-E (ApoE)
Descriptor: Apolipoprotein E, SODIUM ION
Authors:Cherakara, S, Kumar, A, Garai, K, Ghosh, B.
Deposit date:2021-07-15
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the N-terminal domain of mutants of Human Apolipoprotein-E (ApoE)
To be published
7FCS
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BU of 7fcs by Molmil
Crystal structure of the N-terminal domain of mutants of Human Apolipoprotein-E (ApoE)
Descriptor: Apolipoprotein E, SODIUM ION
Authors:Cherakara, S, Kumar, A, Garai, K, Ghosh, B.
Deposit date:2021-07-15
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the N-terminal domain of mutants of Human Apolipoprotein-E (ApoE)
To be published
6R0H
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BU of 6r0h by Molmil
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
7L9E
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BU of 7l9e by Molmil
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
7K9O
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BU of 7k9o by Molmil
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
6ICR
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BU of 6icr by Molmil
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
8E5U
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BU of 8e5u by Molmil
Co-crystal structure of Chaetomium glucosidase with compound 9
Descriptor: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-{2-nitro-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]anilino}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:2022-08-22
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.33 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
8E3J
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BU of 8e3j by Molmil
Co-crystal structure of Chaetomium glucosidase with compound 4
Descriptor: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-nitro-4-(pyrimidin-2-yl)anilino]hexyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ...
Authors:Karade, S.S, Mariuzza, R.A.
Deposit date:2022-08-17
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.71 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
8E3P
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BU of 8e3p by Molmil
Co-crystal structure of Chaetomium glucosidase with compound 5
Descriptor: (2S,3S,4S,5R)-2-(hydroxymethyl)-1-{6-[3-nitro-5-(pyridin-4-yl)anilino]hexyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ...
Authors:Karade, S.S, Mariuzza, R.A.
Deposit date:2022-08-17
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
8E4Z
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BU of 8e4z by Molmil
Co-crystal structure of Chaetomium glucosidase with compound 8
Descriptor: (2R,3R,4R,5S)-1-(6-{[(4P)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}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:2022-08-19
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
8ECW
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BU of 8ecw by Molmil
Co-crystal structure of Chaetomium glucosidase with compound 11
Descriptor: (2R,3R,4R,5S)-1-{2-[4-(2-{[(5M)-3-chloro-5-(pyridazin-3-yl)phenyl]amino}ethyl)phenyl]ethyl}-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ...
Authors:Karade, S.S, Mariuzza, R.A.
Deposit date:2022-09-02
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 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
8E4I
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BU of 8e4i by Molmil
Co-crystal structure of Chaetomium glucosidase with compound 6
Descriptor: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-{[(4P)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}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:2022-08-18
Release date:2023-02-22
Last modified:2023-10-25
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
8E6G
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BU of 8e6g by Molmil
Co-crystal structure of Chaetomium glucosidase with compound 10
Descriptor: (2R,3R,4R,5S)-1-(6-{[(5M)-3-cyclopropyl-5-(pyridazin-3-yl)phenyl]amino}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:2022-08-22
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
8E4K
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BU of 8e4k by Molmil
Co-crystal structure of Chaetomium glucosidase with compound 7
Descriptor: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-({(4M)-4-[2-(morpholin-4-yl)pyrimidin-4-yl]-2-nitrophenyl}amino)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:2022-08-18
Release date:2023-02-22
Last modified:2023-10-25
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
7K9N
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BU of 7k9n by Molmil
Co-crystal structure of alpha glucosidase with compound 2
Descriptor: (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(9-methoxynonyl)amino]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 (2.07 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
7K9T
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BU of 7k9t by Molmil
Co-crystal structure of alpha glucosidase with compound 5
Descriptor: (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-{[(5Z)-6-{[2-nitro-4-(2H-1,2,3-triazol-2-yl)phenyl]amino}hex-5-en-1-yl]amino}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 (2.1 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
7K9Q
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BU of 7k9q by Molmil
Co-crystal structure of alpha glucosidase with compound 4
Descriptor: (1S,2S,3R,4S,5S)-5-amino-1-(hydroxymethyl)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 (2.3 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
7KB6
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BU of 7kb6 by Molmil
Co-crystal structure of alpha glucosidase with compound 7
Descriptor: (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(pyrimidin-2-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Karade, S.S, Mariuzza, R.A.
Deposit date:2020-10-01
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 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
7KBJ
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BU of 7kbj by Molmil
Co-crystal structure of alpha glucosidase with compound 9
Descriptor: (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-{[2-(2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethoxy)ethyl]amino}cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Karade, S.S, Mariuzza, R.A.
Deposit date:2020-10-02
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 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
7KB8
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BU of 7kb8 by Molmil
Co-crystal structure of alpha glucosidase with compound 8
Descriptor: (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(4-{[2-nitro-4-(triazan-1-yl)phenyl]amino}butyl)amino]cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Karade, S.S, Mariuzza, R.A.
Deposit date:2020-10-01
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.385 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
7KAD
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BU of 7kad by Molmil
Co-crystal structure of alpha glucosidase with compound 6
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, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Karade, S.S, Mariuzza, R.A.
Deposit date:2020-09-30
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.506 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
7KBR
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BU of 7kbr by Molmil
Co-crystal structure of alpha glucosidase with compound 10
Descriptor: 1,2-ETHANEDIOL, 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, CALCIUM ION, ...
Authors:Karade, S.S, Mariuzza, R.A.
Deposit date:2020-10-02
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 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

221716

數據於2024-06-26公開中

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