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4QLU
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BU of 4qlu by Molmil
yCP in complex with tripeptidic epoxyketone inhibitor 9
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-L-tryptophanamide, ...
Authors:de Bruin, G, Huber, E, Xin, B, van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, van der Marel, G, Groll, M, Overkleeft, H.
Deposit date:2014-06-13
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes
J.Med.Chem., 57, 2014
4QLQ
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BU of 4qlq by Molmil
yCP in complex with tripeptidic epoxyketone inhibitor 8
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-(morpholin-4-ylacetyl)-L-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-O-methyl-L-tyrosinamide, ...
Authors:De Bruin, G, Huber, E, Xin, B, Van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, Van der Marel, G, Groll, M, Overkleeft, H.
Deposit date:2014-06-13
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes
J.Med.Chem., 57, 2014
4QLT
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BU of 4qlt by Molmil
yCP in complex with tripeptidic epoxyketone inhibitor 2 (PR924)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-L-tryptophanamide, ...
Authors:de Bruin, G, Huber, E, Xin, B, van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, van der Marel, G, Groll, M, Overkleeft, H.
Deposit date:2014-06-13
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes
J.Med.Chem., 57, 2014
4QLV
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BU of 4qlv by Molmil
yCP in complex with tripeptidic epoxyketone inhibitor 17
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-(morpholin-4-ylacetyl)-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-O-methyl-L-tyrosinamide, ...
Authors:de Bruin, G, Huber, E, Xin, B, van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, van der Marel, G, Groll, M, Overkleeft, H.
Deposit date:2014-06-13
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes
J.Med.Chem., 57, 2014
4QLS
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BU of 4qls by Molmil
yCP in complex with tripeptidic epoxyketone inhibitor 11
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-(morpholin-4-ylacetyl)-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-O-methyl-L-tyrosinamide, ...
Authors:De Bruin, G, Huber, E, Xin, B, Van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, Van der Marel, G, Groll, M, Overkleeft, H.
Deposit date:2014-06-13
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes
J.Med.Chem., 57, 2014
6YQ7
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BU of 6yq7 by Molmil
Taka-amylase
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ...
Authors:Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G.
Deposit date:2020-04-16
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
6YQB
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BU of 6yqb by Molmil
Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol cyclosulfate inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ...
Authors:Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G.
Deposit date:2020-04-16
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
6YQC
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BU of 6yqc by Molmil
Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol epoxide inhibitor
Descriptor: (1~{R},2~{S},4~{R},5~{S},6~{R})-6-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-heptoxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)cyclohexane-1,2,4-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G.
Deposit date:2020-04-16
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
6YQ9
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BU of 6yq9 by Molmil
Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol epoxide inhibitor
Descriptor: (1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G.
Deposit date:2020-04-16
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
6YQA
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BU of 6yqa by Molmil
Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol aziridine inhibitor
Descriptor: (1~{S},2~{R},3~{R},4~{R},5~{R})-5-(8-azanyloctylamino)-4-(hydroxymethyl)cyclohexane-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G.
Deposit date:2020-04-16
Release date:2021-02-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
8CB1
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BU of 8cb1 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with N-PNT-DNM 15
Descriptor: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-(phenanthren-9-ylmethoxy)pentyl]piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sulzenbacher, G, Roig-Zamboni, V, Overkleeft, H, Artola, M.
Deposit date:2023-01-25
Release date:2023-09-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases.
Chem Sci, 14, 2023
8CB6
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BU of 8cb6 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in covalent complex with TAMRA tagged 1,6-Epi-cylcophellitol aziridine activity based probe
Descriptor: (1S,2R,3R,4R,5R)-5-[8-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]octylamino]-4-(hydroxymethyl)cyclohexane-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sulzenbacher, G, Roig-Zamboni, V, Overkleeft, H, Artola, M.
Deposit date:2023-01-25
Release date:2023-09-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases.
Chem Sci, 14, 2023
5EMY
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BU of 5emy by Molmil
Human Pancreatic Alpha-Amylase in complex with the mechanism based inactivator glucosyl epi-cyclophellitol
Descriptor: (1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside, CALCIUM ION, CHLORIDE ION, ...
Authors:Caner, S, Brayer, G.D.
Deposit date:2015-11-06
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.231 Å)
Cite:Glucosyl epi-cyclophellitol allows mechanism-based inactivation and structural analysis of human pancreatic alpha-amylase.
Febs Lett., 590, 2016
7OMS
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BU of 7oms by Molmil
Bs164 in complex with mannocyclophellitol aziridine
Descriptor: (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:McGregor, N, Beenakker, T, Kuo, C.L, Wong, C.S, Offren, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H, Davies, G.J.
Deposit date:2021-05-24
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
7P2Z
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BU of 7p2z by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with cyclosulfamidate 4
Descriptor: (3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Roig-Zamboni, V, Kok, K, Overkleeft, H, Artola, M, Sulzenbacher, G.
Deposit date:2021-07-06
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease.
J.Am.Chem.Soc., 144, 2022
7P32
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BU of 7p32 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with cyclosulfamidate 6
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Roig-Zamboni, V, Kok, K, Overkleeft, H, Artola, M, Sulzenbacher, G.
Deposit date:2021-07-06
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease.
J.Am.Chem.Soc., 144, 2022
8QF8
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BU of 8qf8 by Molmil
GH146 beta-L-arabinofuranosidase from Bacteroides thetaioatomicron in complex with beta-l-arabinofurano cyclophellitol aziridine
Descriptor: (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol, (1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol, Glycosyl hydrolase, ...
Authors:Borlandelli, V, Offen, W, Moroz, O.V, Nin-Hill, A, McGregor, N, Binkhorst, L, Armstrong, Z, Ishiwata, A, Artola, M, Rovira, C, Davies, G.J, Overkleeft, H.
Deposit date:2023-09-04
Release date:2023-12-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:beta-l- Arabino furano-cyclitol Aziridines Are Covalent Broad-Spectrum Inhibitors and Activity-Based Probes for Retaining beta-l-Arabinofuranosidases.
Acs Chem.Biol., 18, 2023
8QF2
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BU of 8qf2 by Molmil
Beta-L-Arabinofurano-cyclitol Aziridines are Cysteine-directed Broad-spectrum Inhibitors and Activity-based Probes for Retaining Beta-L-arabinofuranosidases
Descriptor: (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol, Non-reducing end beta-L-arabinofuranosidase, ZINC ION
Authors:Borlandelli, V, Offen, W.A, Moroz, O, Nin-Hill, A, McGregor, N, Binkhorst, L, Armstrong, Z, Ishiwata, A, Artola, M, Rovira, C, Davies, G.J, Overkleeft, H.
Deposit date:2023-09-02
Release date:2023-12-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:beta-l- Arabino furano-cyclitol Aziridines Are Covalent Broad-Spectrum Inhibitors and Activity-Based Probes for Retaining beta-l-Arabinofuranosidases.
Acs Chem.Biol., 18, 2023

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PDB entries from 2024-03-27

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