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6SXT
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BU of 6sxt by Molmil
GH54 a-l-arabinofuranosidase soaked with aziridine inhibitor
分子名称: 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, ...
著者McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C.
登録日2019-09-26
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.466 Å)
主引用文献Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
6SXU
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BU of 6sxu by Molmil
GH51 a-l-arabinofuranosidase soaked with cyclic sulfate inhibitor
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者McGregor, N.G.S, Davies, G.J.
登録日2019-09-26
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.398 Å)
主引用文献Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
6SXR
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BU of 6sxr by Molmil
E221Q mutant of GH54 a-l-arabinofuranosidase soaked with 4-nitrophenyl a-l-arabinofuranoside
分子名称: 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, ...
著者McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C.
登録日2019-09-26
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
7OMI
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BU of 7omi by Molmil
Bs164 in complex with mannocyclophellitol epoxide
分子名称: (1R,2S,4S,5R)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Armstrong, Z, Mcgregor, N, Davies, G.
登録日2021-05-24
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献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
分子名称: (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, ...
著者Roig-Zamboni, V, Kok, K, Overkleeft, H, Artola, M, Sulzenbacher, G.
登録日2021-07-06
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
分子名称: 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, ...
著者Roig-Zamboni, V, Kok, K, Overkleeft, H, Artola, M, Sulzenbacher, G.
登録日2021-07-06
公開日2022-07-13
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献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
7P4C
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BU of 7p4c by Molmil
Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with noncovalent Cyclophellitol Sulfamidate probe KK131
分子名称: (3aR,4S,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzo[d][1,2,3]oxathiazole-4,5,6-triol, 1,2-ETHANEDIOL, OXALATE ION, ...
著者Wu, L, Davies, G.J.
登録日2021-07-11
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献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
7P4D
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BU of 7p4d by Molmil
Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with covalent Cyclophellitol Sulfamidate probe KK130
分子名称: 1,2-ETHANEDIOL, OXALATE ION, Oligosaccharide 4-alpha-D-glucosyltransferase, ...
著者Wu, L, Davies, G.J.
登録日2021-07-11
公開日2022-07-27
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
7PR7
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BU of 7pr7 by Molmil
Crystal structure of human heparanase in complex with covalent inhibitor VL166
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, L, Armstrong, Z, Davies, G.J.
登録日2021-09-21
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PR8
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BU of 7pr8 by Molmil
Crystal structure of human heparanase in complex with covalent inhibitor GR109
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, L, Armstrong, Z, Davies, G.J.
登録日2021-09-21
公開日2022-08-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PRT
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BU of 7prt by Molmil
Crystal structure of human heparanase in complex with covalent inhibitor CB678
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-alpha-D-arabino-hexopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, ...
著者Wu, L, Armstrong, Z, Davies, G.J.
登録日2021-09-22
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PRB
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BU of 7prb by Molmil
Crystal structure of Burkholderia pseudomallei heparanase in complex with covalent inhibitor GR109
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Glyco_hydro_44 domain-containing protein
著者Wu, L, Armstrong, Z, Davies, G.J.
登録日2021-09-21
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PSI
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BU of 7psi by Molmil
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor ME727
分子名称: (2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase, SULFATE ION
著者Armstrong, Z, Wu, L, Davies, G.J.
登録日2021-09-23
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PSJ
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BU of 7psj by Molmil
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor VL166
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase
著者Armstrong, Z, Wu, L, Davies, G.J.
登録日2021-09-23
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PSK
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BU of 7psk by Molmil
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor GR109
分子名称: 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase
著者Armstrong, Z, Wu, L, Davies, G.J.
登録日2021-09-23
公開日2022-08-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PSH
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BU of 7psh by Molmil
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum at 1.24 Angstrom resolution
分子名称: Beta-glucuronidase
著者Armstrong, Z, Wu, L, Davies, G.J.
登録日2021-09-23
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PR6
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BU of 7pr6 by Molmil
Crystal structure of E. coli beta-glucuronidase in complex with covalent inhibitor ME727
分子名称: (2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase
著者Wu, L, Armstrong, Z, Davies, G.J.
登録日2021-09-20
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PR9
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BU of 7pr9 by Molmil
Crystal structure of Burkholderia pseudomallei heparanase in complex with covalent inhibitor VL166
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Glyco_hydro_44 domain-containing protein
著者Wu, L, Armstrong, Z, Davies, G.J.
登録日2021-09-21
公開日2022-08-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7QXC
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BU of 7qxc by Molmil
Recognition of Staphylococcus aureus wall teichoic acid analogue SA533 (compound 1) by Fab4461
分子名称: (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, DI(HYDROXYETHYL)ETHER, Fab 4461 heavy chain, ...
著者Soriano-Maldonado, P, van Raaij, M.J.
登録日2022-01-26
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.452 Å)
主引用文献Antibody Recognition of Different Staphylococcus aureus Wall Teichoic Acid Glycoforms.
Acs Cent.Sci., 8, 2022
7QXE
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BU of 7qxe by Molmil
Recognition of Staphylococcus aureus wall teichoic acid analogue TB87 (compound 3) by Fab4497
分子名称: Antibody 4497 light chain, Antibody Fab 4497 heavy chain, CHLORIDE ION, ...
著者Soriano-Maldonado, P, van Raaij, M.J.
登録日2022-01-26
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Antibody Recognition of Different Staphylococcus aureus Wall Teichoic Acid Glycoforms.
Acs Cent.Sci., 8, 2022
7QXD
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BU of 7qxd by Molmil
Recognition of Staphylococcus aureus wall teichoic acid analogue SA475 (compound 2) by Fab4497
分子名称: Antibody Fab 4497 heavy chain, Antibody Fab 4497 light chain, DI(HYDROXYETHYL)ETHER, ...
著者Soriano-Maldonado, P, van Raaij, M.J.
登録日2022-01-26
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.649 Å)
主引用文献Antibody Recognition of Different Staphylococcus aureus Wall Teichoic Acid Glycoforms.
Acs Cent.Sci., 8, 2022

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件を2024-10-09に公開中

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