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8EKL
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BU of 8ekl by Molmil
Clostridioides difficile binary toxin translocase CDTb wild-type after calcium depletion from receptor binding domain 1 (RBD1) - Class 1
分子名称: ADP-ribosyltransferase binding component, CALCIUM ION
著者Abeyawardhane, D.L, Pozharski, E.
登録日2022-09-21
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Calcium-mediated Pore Formation of Clostridioides difficile Binary Toxin
To Be Published
8EKM
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BU of 8ekm by Molmil
Clostridioides difficile binary toxin translocase CDTb double mutant - D623A D734A
分子名称: ADP-ribosyltransferase binding component, CALCIUM ION
著者Abeyawardhane, D.L, Pozharski, E.
登録日2022-09-21
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (3.56 Å)
主引用文献Calcium-mediated Pore Formation of Clostridioides difficile Binary Toxin
To Be Published
8EKK
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BU of 8ekk by Molmil
Clostridioides difficile binary toxin translocase CDTb wild-type after calcium depletion from receptor binding domain 1 (RBD1) - Class 2
分子名称: ADP-ribosyltransferase binding component, CALCIUM ION
著者Abeyawardhane, D.L, Pozharski, E.
登録日2022-09-21
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Calcium-mediated Pore Formation of Clostridioides difficile Binary Toxin
To Be Published
5SY1
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BU of 5sy1 by Molmil
Structure of the STRA6 receptor for retinol uptake in complex with calmodulin
分子名称: CALCIUM ION, CHOLESTEROL, Calmodulin, ...
著者Clarke, O.B, Chen, Y, Mancia, F.
登録日2016-08-10
公開日2016-08-24
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure of the STRA6 receptor for retinol uptake.
Science, 353, 2016
6UAI
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BU of 6uai by Molmil
Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with YSAM peptide
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Toth, E.A, Bryan, P.N, Orban, J.
登録日2019-09-10
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
6UAO
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BU of 6uao by Molmil
Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with the peptide EEYSAM
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Peptide EEYSAM, ...
著者Toth, E.A, Bryan, P.N, Orban, J.
登録日2019-09-11
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
6UBE
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BU of 6ube by Molmil
Azide-triggered subtilisin SUBT_BACAM complexed with the peptide LFRAL
分子名称: AZIDE ION, GLYCEROL, Peptide LFRAL, ...
著者Toth, E.A, Bryan, P.N, Orban, J, Gallagher, D.T, Custer, G.
登録日2019-09-11
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
6U9L
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BU of 6u9l by Molmil
Imidazole-triggered RAS-specific subtilisin SUBT_BACAM
分子名称: GLYCEROL, POTASSIUM ION, SUBTILISIN BPN', ...
著者Toth, E.A, Bryan, P.N, Orban, J.
登録日2019-09-09
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
6UWI
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BU of 6uwi by Molmil
Crystal structure of the Clostridium difficile translocase CDTb
分子名称: ADP-ribosyltransferase binding component, CALCIUM ION
著者Pozharski, E.
登録日2019-11-05
公開日2020-01-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UWT
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BU of 6uwt by Molmil
Clostridium difficile binary toxin translocase CDTb tetradecamer in symmetric conformation
分子名称: ADP-ribosyltransferase binding component, CALCIUM ION
著者Xu, X, Pozharski, E, des Georges, A.
登録日2019-11-05
公開日2020-01-22
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UWR
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BU of 6uwr by Molmil
Clostridium difficile binary toxin translocase CDTb in asymmetric tetradecamer conformation
分子名称: ADP-ribosyltransferase binding component, CALCIUM ION
著者Xu, X, Pozharski, E, des Georges, A.
登録日2019-11-05
公開日2020-01-22
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UWO
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BU of 6uwo by Molmil
Crystal structure of receptor binding domain 2 from Clostridium difficile translocase CDTb
分子名称: ADP-ribosyltransferase binding component
著者Pozharski, E.
登録日2019-11-05
公開日2020-01-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly.
Proc.Natl.Acad.Sci.USA, 117, 2020
3KO0
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BU of 3ko0 by Molmil
Structure of the tfp-ca2+-bound activated form of the s100a4 Metastasis factor
分子名称: 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE, CALCIUM ION, Protein S100-A4
著者Malashkevich, V.N, Dulyaninova, N.G, Knight, D, Almo, S.C, Bresnick, A.R.
登録日2009-11-12
公開日2010-05-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Phenothiazines inhibit S100A4 function by inducing protein oligomerization.
Proc.Natl.Acad.Sci.USA, 107, 2010
8EID
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BU of 8eid by Molmil
Co-crystal structure of Chaetomium glucosidase with compound 14
分子名称: (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, ...
著者Karade, S.S, Mariuzza, R.A.
登録日2022-09-14
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: (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, ...
著者Karade, S.S, Mariuzza, R.A.
登録日2022-08-17
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献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
分子名称: (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, ...
著者Karade, S.S, Mariuzza, R.A.
登録日2022-08-22
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: (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, ...
著者Karade, S.S, Mariuzza, R.A.
登録日2022-08-19
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
8EKN
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BU of 8ekn by Molmil
Co-crystal structure of Chaetomium glucosidase with compound 15
分子名称: (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, ...
著者Karade, S.S, Mariuzza, R.A.
登録日2022-09-21
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
8ELE
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BU of 8ele by Molmil
Co-crystal structure of Chaetomium glucosidase with compound 16
分子名称: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({2-nitro-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]anilino}methyl)phenyl]methyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ...
著者Karade, S.S, Mariuzza, R.A.
登録日2022-09-23
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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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Co-crystal structure of Chaetomium glucosidase with compound 6
分子名称: (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, ...
著者Karade, S.S, Mariuzza, R.A.
登録日2022-08-18
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
8EGV
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Co-crystal structure of Chaetomium glucosidase with compound 12
分子名称: (2R,3R,4R,5S)-1-{2-[4-(2-{[(5M)-3-chloro-5-(1,2,4-oxadiazol-3-yl)phenyl]amino}ethyl)phenyl]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, ...
著者Karade, S.S, Mariuzza, R.A.
登録日2022-09-13
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献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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Co-crystal structure of Chaetomium glucosidase with compound 7
分子名称: (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, ...
著者Karade, S.S, Mariuzza, R.A.
登録日2022-08-18
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: (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, ...
著者Karade, S.S, Mariuzza, R.A.
登録日2022-08-17
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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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Co-crystal structure of Chaetomium glucosidase with compound 11
分子名称: (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, ...
著者Karade, S.S, Mariuzza, R.A.
登録日2022-09-02
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
8E5U
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Co-crystal structure of Chaetomium glucosidase with compound 9
分子名称: (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, ...
著者Karade, S.S, Mariuzza, R.A.
登録日2022-08-22
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献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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