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PDB: 187 results

4Y24
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BU of 4y24 by Molmil
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
4Y20
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BU of 4y20 by Molmil
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
4Y1X
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BU of 4y1x by Molmil
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
4Y1V
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BU of 4y1v by Molmil
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
4Y1U
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BU of 4y1u by Molmil
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
4Y26
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BU of 4y26 by Molmil
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
4Y22
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BU of 4y22 by Molmil
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
4Y1Z
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BU of 4y1z by Molmil
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
4Y1Y
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BU of 4y1y by Molmil
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
6LD0
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BU of 6ld0 by Molmil
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
6LDB
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BU of 6ldb by Molmil
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
6LD6
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BU of 6ld6 by Molmil
Structure of Bifidobacterium dentium beta-glucuronidase
Descriptor: 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 (2.204 Å)
Cite:Entropy-driven binding of gut bacterial beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity.
Commun Biol, 4, 2021
6LEG
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BU of 6leg by Molmil
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
6LEM
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BU of 6lem by Molmil
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
6LDD
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BU of 6ldd by Molmil
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
6LEJ
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BU of 6lej by Molmil
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
6LEL
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BU of 6lel by Molmil
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
6LDC
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BU of 6ldc by Molmil
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
5HLV
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BU of 5hlv by Molmil
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
8JBW
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BU of 8jbw by Molmil
Crystal structure of ZtHPPD-(+)-Usnic acid complex
Descriptor: (9bR)-2,6-diethanoyl-8,9b-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Lin, H.-Y, Dong, J, Yang, G.-F.
Deposit date:2023-05-09
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and Development of 4-Hydroxyphenylpyruvate Dioxygenase as a Novel Crop Fungicide Target.
J.Agric.Food Chem., 71, 2023
8HID
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BU of 8hid by Molmil
HUMAN ERYTHROCYTE CATALSE COMPLEXED WITH BT-Br
Descriptor: (~{S})-azanyl-[2-[[3-bromanyl-4-(diethylamino)phenyl]methyl]hydrazinyl]methanethiol, Catalase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, H.-Y, Yang, G.-F.
Deposit date:2022-11-19
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A catalase inhibitor: Targeting the NADPH-binding site for castration-resistant prostate cancer therapy.
Redox Biol, 63, 2023
5HLO
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BU of 5hlo by Molmil
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
7CQR
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BU of 7cqr by Molmil
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
7CQS
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BU of 7cqs by Molmil
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
7E0X
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BU of 7e0x by Molmil
Crystal structure of Arabidopsis thaliana HPPD complexed with 4-hydroxyphenylacetic acid
Descriptor: 4-HYDROXYPHENYLACETATE, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Lin, H.Y, Yang, G.F.
Deposit date:2021-01-28
Release date:2021-12-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.887 Å)
Cite:Rational Redesign of Enzyme via the Combination of Quantum Mechanics/Molecular Mechanics, Molecular Dynamics, and Structural Biology Study.
J.Am.Chem.Soc., 143, 2021

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