6LD0
| Structure of Bifidobacterium dentium beta-glucuronidase complexed with C6-hexyl uronic isofagomine | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid, LacZ1 Beta-galactosidase | Authors: | Lin, H.-Y, Hsieh, T.-J, Lin, C.-H. | Deposit date: | 2019-11-20 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Entropy-driven binding of gut bacterial beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity. Commun Biol, 4, 2021
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6LDB
| Structure of Bifidobacterium dentium beta-glucuronidase complexed with uronic isofagomine | Descriptor: | (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, LacZ1 Beta-galactosidase | Authors: | Lin, H.-Y, Hsieh, T.-J, Lin, C.-H. | Deposit date: | 2019-11-20 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | Entropy-driven binding of gut bacterial beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity. Commun Biol, 4, 2021
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6LD6
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5HLO
| Crystal structure of calcium and zinc-bound human S100A8 in space group C2221 | Descriptor: | ACETATE ION, CACODYLATE ION, CALCIUM ION, ... | Authors: | Lin, H, Andersen, G.R, Yatime, L. | Deposit date: | 2016-01-15 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human S100A8 in complex with zinc and calcium. Bmc Struct.Biol., 16, 2016
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7CQR
| Complex structure of HPPD with Y16550 | Descriptor: | 3-(3-chlorophenyl)-6-[(2,5-dimethyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Lin, H.Y, Yang, G.F. | Deposit date: | 2020-08-11 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.947 Å) | Cite: | Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules Adv Agrochem, 2022
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7CQS
| Complex structure of HPPD with Topramezone | Descriptor: | 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1~{H}-pyrazol-3-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Lin, H.Y, Yang, G.F. | Deposit date: | 2020-08-11 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules Adv Agrochem, 2022
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4Y24
| Complex of human Galectin-1 and TD-139 | Descriptor: | 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, Galectin-1 | Authors: | Lin, H.Y, Hsieh, T.J, Lin, C.H. | Deposit date: | 2015-02-09 | Release date: | 2016-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Dual thio-digalactoside-binding modes of human galectins as the structural basis for the design of potent and selective inhibitors. Sci Rep, 6, 2016
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7CJK
| Complex structure of AtHPPD with inhibitor Y18093 | Descriptor: | 3-oxidanyl-2-[3,5,6-tris(chloranyl)-4-[(4-chlorophenyl)methylamino]pyridin-2-yl]carbonyl-cyclohex-2-en-1-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Lin, H.Y, Yang, G.F. | Deposit date: | 2020-07-11 | Release date: | 2021-07-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Complex structure of AtHPPD with inhibitor Y18093 To Be Published
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4Y20
| Complex of human Galectin-1 and NeuAcalpha2-3Galbeta1-4Glc | Descriptor: | Galectin-1, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Lin, H.Y, Hsieh, T.J, Lin, C.H. | Deposit date: | 2015-02-09 | Release date: | 2016-04-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.204 Å) | Cite: | Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range To Be Published
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4Y1X
| Complex of human Galectin-1 and Galbeta1-4(6OSO3)GlcNAc | Descriptor: | Galectin-1, beta-D-galactopyranose-(1-4)-methyl 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranoside | Authors: | Lin, H.Y, Hsieh, T.J, Lin, C.H. | Deposit date: | 2015-02-09 | Release date: | 2016-04-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range To Be Published
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4Y1V
| Complex of human Galectin-1 and Galbeta1-3GlcNAc | Descriptor: | Galectin-1, beta-D-galactopyranose-(1-3)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside | Authors: | Lin, H.Y, Hsieh, T.J, Lin, C.H. | Deposit date: | 2015-02-09 | Release date: | 2016-04-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range To Be Published
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4Y1U
| Complex of human Galectin-1 and Galbeta1-4GlcNAc | Descriptor: | Galectin-1, beta-D-galactopyranose-(1-4)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside | Authors: | Lin, H.Y, Hsieh, T.J, Lin, C.H. | Deposit date: | 2015-02-09 | Release date: | 2016-04-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.762 Å) | Cite: | Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range To Be Published
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4Y26
| Complex of human Galectin-7 and Galbeta1-3(6OSO3)GlcNAc | Descriptor: | Galectin-7, beta-D-galactopyranose-(1-3)-methyl 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranoside | Authors: | Lin, H.Y, Hsieh, T.J, Lin, C.H. | Deposit date: | 2015-02-09 | Release date: | 2016-04-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.611 Å) | Cite: | Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range To Be Published
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4Y22
| Complex of human Galectin-1 and (3OSO3)Galbeta1-3GlcNAc | Descriptor: | 3-O-sulfo-beta-D-galactopyranose-(1-3)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, Galectin-1 | Authors: | Lin, H.Y, Hsieh, T.J, Lin, C.H. | Deposit date: | 2015-02-09 | Release date: | 2016-04-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range To Be Published
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4Y1Z
| Complex of human Galectin-1 and Galbeta1-4(6CO2)GlcNAc | Descriptor: | Galectin-1, beta-D-galactopyranose-(1-4)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranosiduronic acid | Authors: | Lin, H.Y, Hsieh, T.J, Lin, C.H. | Deposit date: | 2015-02-09 | Release date: | 2016-04-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range To Be Published
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4Y1Y
| Complex of human Galectin-1 and (6OSO3)Galbeta1-3GlcNAc | Descriptor: | Galectin-1, beta-D-galactopyranose-(1-3)-methyl 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranoside | Authors: | Lin, H.Y, Hsieh, T.J, Lin, C.H. | Deposit date: | 2015-02-09 | Release date: | 2016-04-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range To Be Published
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5HLV
| Crystal structure of calcium and zinc-bound human S100A8 in space group P212121 | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Lin, H, Andersen, G.R, Yatime, L. | Deposit date: | 2016-01-15 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of human S100A8 in complex with zinc and calcium. Bmc Struct.Biol., 16, 2016
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6LEM
| Structure of E. coli beta-glucuronidase complex with C6-nonyl uronic isofagomine | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid, Beta-D-glucuronidase | Authors: | Lin, H.-Y, Kuo, Y.-H, Lin, C.-H. | Deposit date: | 2019-11-25 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.188 Å) | Cite: | Entropy-driven binding of gut bacterial beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity. Commun Biol, 4, 2021
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6LEG
| Structure of E. coli beta-glucuronidase complex with uronic isofagomine | Descriptor: | (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, Beta-D-glucuronidase | Authors: | Lin, H.-Y, Kuo, Y.-H, Lin, C.-H. | Deposit date: | 2019-11-25 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Entropy-driven binding of gut bacterial beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity. Commun Biol, 4, 2021
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6LDD
| Structure of Bifidobacterium dentium beta-glucuronidase complexed with C6-propyl uronic isofagomine | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid, LacZ1 Beta-galactosidase | Authors: | Lin, H.-Y, Hsieh, T.-J, Lin, C.-H. | Deposit date: | 2019-11-20 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.205 Å) | Cite: | Entropy-driven binding of gut bacterial beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity. Commun Biol, 4, 2021
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6LEJ
| Structure of E. coli beta-glucuronidase complex with C6-propyl uronic isofagomine | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid, Beta-D-glucuronidase | Authors: | Lin, H.-Y, Kuo, Y.-H, Lin, C.-H. | Deposit date: | 2019-11-25 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.617 Å) | Cite: | Entropy-driven binding of gut bacterial beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity. Commun Biol, 4, 2021
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6LEL
| Structure of E. coli beta-glucuronidase complex with C6-hexyl uronic isofagomine | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid, Beta-D-glucuronidase | Authors: | Lin, H.-Y, Kuo, Y.-H, Lin, C.-H. | Deposit date: | 2019-11-25 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.498 Å) | Cite: | Entropy-driven binding of gut bacterial beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity. Commun Biol, 4, 2021
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6LDC
| Structure of Bifidobacterium dentium beta-glucuronidase complexed with C6-nonyl uronic isofagomine | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid, LacZ1 Beta-galactosidase | Authors: | Lin, H.-Y, Hsieh, T.-J, Lin, C.-H. | Deposit date: | 2019-11-20 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.181 Å) | Cite: | Entropy-driven binding of gut bacterial beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity. Commun Biol, 4, 2021
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6LVS
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6M6D
| Structure of HPPD complexed with a synthesized inhibitor | Descriptor: | 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-trimethylsilylprop-2-ynyl)quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Lin, H.-Y, Yang, W.-C, Yang, G.-F. | Deposit date: | 2020-03-14 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.842 Å) | Cite: | Structure-Guided Discovery of Silicon-Containing Subnanomolar Inhibitor of Hydroxyphenylpyruvate Dioxygenase as a Potential Herbicide. J.Agric.Food Chem., 69, 2021
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