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7BZL
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BU of 7bzl by Molmil
GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranose-configured cyclophellitol
Descriptor: (1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol, Non-reducing end beta-L-arabinofuranosidase, ZINC ION
Authors:Amaki, S, McGregor, N.G.S, Arakawa, T, Yamada, C, Borlandelli, V, Overkleeft, H.S, Davies, G.J, Fushinobu, S.
Deposit date:2020-04-28
Release date:2021-01-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Angew.Chem.Int.Ed.Engl., 60, 2021
7DIF
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BU of 7dif by Molmil
GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranose-configured cyclophellitol at 1.75-angstrom resolution
Descriptor: (1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol, Non-reducing end beta-L-arabinofuranosidase, POTASSIUM ION, ...
Authors:Amaki, S, McGregor, N.G.S, Arakawa, T, Yamada, C, Borlandelli, V, Overkleeft, H.S, Davies, G.J, Fushinobu, S.
Deposit date:2020-11-19
Release date:2021-01-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Angew.Chem.Int.Ed.Engl., 60, 2021
6YQH
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BU of 6yqh by Molmil
GH146 beta-L-arabinofuranosidase bound to covalent inhibitor
Descriptor: (1~{S},2~{S},3~{S},4~{S})-4-(hydroxymethyl)cyclopentane-1,2,3-triol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acetyl-CoA carboxylase, ...
Authors:McGregor, N.G.S, Davies, G.J.
Deposit date:2020-04-17
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Angew.Chem.Int.Ed.Engl., 60, 2021
7EXW
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BU of 7exw by Molmil
GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with alpha-L-arabinofuranosylamide
Descriptor: 2-bromanyl-N-[(2R,3R,4R,5S}-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide, Non-reducing end beta-L-arabinofuranosidase, ZINC ION
Authors:Sawano, K, Arakawa, T, Yamada, C, Fujita, K, Fushinobu, S.
Deposit date:2021-05-28
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Substrate complex structure, active site labeling and catalytic role of the zinc ion in cysteine glycosidase.
Glycobiology, 32, 2022
7EXU
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BU of 7exu by Molmil
GH127 beta-L-arabinofuranosidase HypBA1 E322Q mutant complexed with p-nitrophenyl beta-L-arabinofuranoside
Descriptor: (2S,3R,4R,5R)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol, Non-reducing end beta-L-arabinofuranosidase, ZINC ION
Authors:Maruyama, S, Arakawa, T, Yamada, C, Fujita, K, Fushinobu, S.
Deposit date:2021-05-28
Release date:2021-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Substrate complex structure, active site labeling and catalytic role of the zinc ion in cysteine glycosidase.
Glycobiology, 32, 2022
7EXV
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BU of 7exv by Molmil
GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranoylamide
Descriptor: 2-bromanyl-N-[(2S,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide, Non-reducing end beta-L-arabinofuranosidase, ZINC ION
Authors:Sawano, K, Arakawa, T, Yamada, C, Fujita, K, Fushinobu, S.
Deposit date:2021-05-28
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Substrate complex structure, active site labeling and catalytic role of the zinc ion in cysteine glycosidase.
Glycobiology, 32, 2022
8X6R
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BU of 8x6r by Molmil
KRasG12C in complex with inhibitor
Descriptor: 1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
Authors:Amano, Y, Tateishi, Y.
Deposit date:2023-11-21
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of ASP6918, a KRAS G12C inhibitor: Synthesis and structure-activity relationships of 1-{2,7-diazaspiro[3.5]non-2-yl}prop-2-en-1-one derivatives as covalent inhibitors with good potency and oral activity for the treatment of solid tumors.
Bioorg.Med.Chem., 98, 2023
1FVM
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BU of 1fvm by Molmil
Complex of vancomycin with DI-acetyl-LYS-D-ALA-D-ALA
Descriptor: DI-ACETYL-LYS-D-ALA-D-ALA, VANCOMYCIN, vancosamine-(1-2)-beta-D-glucopyranose
Authors:Nitanai, Y, Kakoi, K, Aoki, K.
Deposit date:2000-09-20
Release date:2000-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of the Complexes between Vancomycin and Cell-Wall Precursor Analogs.
J.Mol.Biol., 385, 2009
1PCL
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BU of 1pcl by Molmil
UNUSUAL STRUCTURAL FEATURES IN THE PARALLEL BETA-HELIX IN PECTATE LYASES
Descriptor: PECTATE LYASE E
Authors:Lietzke, S.E, Keen, N.T, Jurnak, F.
Deposit date:1993-11-05
Release date:1995-02-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Unusual structural features in the parallel beta-helix in pectate lyases.
Structure, 1, 1993
3AXY
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BU of 3axy by Molmil
Structure of Florigen Activation Complex Consisting of Rice Florigen Hd3a, 14-3-3 Protein GF14 and Rice FD Homolog OsFD1
Descriptor: 14-3-3-like protein GF14-C, Protein HEADING DATE 3A, Rice FD homolog OsFD1
Authors:Ohki, I, Furuita, K, Hayashi, K, Taoka, K, Tsuji, H, Nakagawa, A, Shimamoto, K, Kojima, C.
Deposit date:2011-04-19
Release date:2011-08-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:14-3-3 proteins act as intracellular receptors for rice Hd3a florigen
Nature, 476, 2011

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