8JYG
 
 | | Crystal structure of Human HPSE1 in complex with inhibitor | | Descriptor: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Mima, M, Fujimoto, N, Imai, Y. | | Deposit date: | 2023-07-03 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based lead optimization to improve potency and selectivity of a novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid series of heparanase-1 inhibitor.
Bioorg.Med.Chem., 93, 2023
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5X7Q
 | | Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase complexed with maltohexaose | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Fujimoto, Z, Kishine, N, Suzuki, N, Momma, M, Ichinose, H, Kimura, A, Funane, K. | | Deposit date: | 2017-02-27 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Carbohydrate-binding architecture of the multi-modular alpha-1,6-glucosyltransferase from Paenibacillus sp. 598K, which produces alpha-1,6-glucosyl-alpha-glucosaccharides from starch
Biochem. J., 474, 2017
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5X7O
 | | Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Fujimoto, Z, Suzuki, N, Kishine, N, Momma, M, Ichinose, H, Kimura, A, Funane, K. | | Deposit date: | 2017-02-27 | | Release date: | 2017-07-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Carbohydrate-binding architecture of the multi-modular alpha-1,6-glucosyltransferase from Paenibacillus sp. 598K, which produces alpha-1,6-glucosyl-alpha-glucosaccharides from starch
Biochem. J., 474, 2017
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5X7R
 | | Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase complexed with isomaltohexaose | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Fujimoto, Z, Kishine, N, Suzuki, N, Momma, M, Ichinose, H, Kimura, A, Funane, K. | | Deposit date: | 2017-02-27 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Carbohydrate-binding architecture of the multi-modular alpha-1,6-glucosyltransferase from Paenibacillus sp. 598K, which produces alpha-1,6-glucosyl-alpha-glucosaccharides from starch
Biochem. J., 474, 2017
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5X7P
 | | Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase complexed with acarbose | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Fujimoto, Z, Kishine, N, Suzuki, N, Momma, M, Ichinose, H, Kimura, A, Funane, K. | | Deposit date: | 2017-02-27 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Carbohydrate-binding architecture of the multi-modular alpha-1,6-glucosyltransferase from Paenibacillus sp. 598K, which produces alpha-1,6-glucosyl-alpha-glucosaccharides from starch
Biochem. J., 474, 2017
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2RST
 | | NMR structure of the C-terminal domain of EW29 | | Descriptor: | 29-kDa galactose-binding lectin | | Authors: | Hemmi, H. | | Deposit date: | 2012-05-29 | | Release date: | 2013-04-17 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | NMR structure and dynamics of the C-terminal domain of R-type lectin from the earthworm Lumbricus terrestris
Febs J., 280, 2013
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8K5G
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8K5H
 | | Structure of the SARS-CoV-2 BA.1 spike with UT28-RD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Chen, L, Kita, S, Anraku, Y, Maenaka, K. | | Deposit date: | 2023-07-21 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | In silico-designed UT28K with two amino acid substitutions is capable of neutralization of resistant SARS-CoV2 Omicrons BA.1 valiant.
To Be Published
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4JAW
 | | Crystal Structure of Lacto-N-Biosidase from Bifidobacterium bifidum complexed with LNB-thiazoline | | Descriptor: | 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, Lacto-N-biosidase, SULFATE ION, ... | | Authors: | Ito, T, Katayama, T, Stubbs, K.A, Fushinobu, S. | | Deposit date: | 2013-02-19 | | Release date: | 2013-03-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of a glycoside hydrolase family 20 lacto-N-biosidase from Bifidobacterium bifidum
J.Biol.Chem., 288, 2013
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5AWX
 | | Crystal structure of Human PTPRZ D1 domain | | Descriptor: | BROMIDE ION, Receptor-type tyrosine-protein phosphatase zeta | | Authors: | Sugawara, H. | | Deposit date: | 2015-07-10 | | Release date: | 2016-02-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Small-molecule inhibition of PTPRZ reduces tumor growth in a rat model of glioblastoma
Sci Rep, 6, 2016
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7YI7
 | | Crystal structure of Human HPSE1 in complex with inhibitor | | Descriptor: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit | | Authors: | Mima, M, Fujimoto, N, Imai, Y. | | Deposit date: | 2022-07-15 | | Release date: | 2022-12-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Lead identification of novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid derivative as a potent heparanase-1 inhibitor.
Bioorg.Med.Chem.Lett., 79, 2022
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7YJC
 | | Crystal structure of Human HPSE1 in complex with inhibitor | | Descriptor: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit | | Authors: | Mima, M, Fujimoto, N, Imai, Y. | | Deposit date: | 2022-07-19 | | Release date: | 2022-12-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Lead identification of novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid derivative as a potent heparanase-1 inhibitor.
Bioorg.Med.Chem.Lett., 79, 2022
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7E7F
 | | Human CYP11B1 mutant in complex with metyrapone | | Descriptor: | CHOLIC ACID, Cytochrome P450 11B1, mitochondrial, ... | | Authors: | Mukai, K, Sugimoto, H, Reiko, S, Matsuura, T, Hishiki, T, Kagawa, N. | | Deposit date: | 2021-02-26 | | Release date: | 2022-01-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Spatially restricted substrate-binding site of cortisol-synthesizing CYP11B1 limits multiple hydroxylations and hinders aldosterone synthesis.
Curr Res Struct Biol, 3, 2021
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5BXT
 | | LNBase in complex with LNB-NHAcAUS | | Descriptor: | Lacto-N-biosidase, N-{[(1R,2R,3R,7S,7aR)-1,2,7-trihydroxyhexahydro-1H-pyrrolizin-3-yl]methyl}acetamide, SULFATE ION, ... | | Authors: | Ito, T, Arakawa, T, Fushinobu, S. | | Deposit date: | 2015-06-09 | | Release date: | 2015-09-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Gaining insight into the catalysis by GH20 lacto-N-biosidase using small molecule inhibitors and structural analysis
Chem.Commun.(Camb.), 51, 2015
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5BXP
 | | LNBase in complex with LNB-LOGNAc | | Descriptor: | Lacto-N-biosidase, SULFATE ION, beta-D-galactopyranose-(1-3)-N-acetylglucosaminono-1,5-lactone (Z)-oxime | | Authors: | Ito, T, Arakawa, T, Fushinobu, S. | | Deposit date: | 2015-06-09 | | Release date: | 2015-09-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Gaining insight into the catalysis by GH20 lacto-N-biosidase using small molecule inhibitors and structural analysis
Chem.Commun.(Camb.), 51, 2015
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5BXS
 | | LNBase in complex with LNB-NHAcCAS | | Descriptor: | 6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE, Lacto-N-biosidase, SULFATE ION, ... | | Authors: | Ito, T, Arakawa, T, Fushinobu, S. | | Deposit date: | 2015-06-09 | | Release date: | 2015-09-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Gaining insight into the catalysis by GH20 lacto-N-biosidase using small molecule inhibitors and structural analysis
Chem.Commun.(Camb.), 51, 2015
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5BXR
 | | LNBase in complex with LNB-NHAcDNJ | | Descriptor: | 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, Lacto-N-biosidase, SULFATE ION, ... | | Authors: | Ito, T, Arakawa, T, Fushinobu, S. | | Deposit date: | 2015-06-09 | | Release date: | 2015-09-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Gaining insight into the catalysis by GH20 lacto-N-biosidase using small molecule inhibitors and structural analysis
Chem.Commun.(Camb.), 51, 2015
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