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5Z18
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BU of 5z18 by Molmil
The crystal structure of Ruminococcus gnavus beta-glucuronidase
Descriptor: Beta-glucuronidase
Authors:Dashnyam, P, Lin, H.Y, Lin, C.H.
Deposit date:2017-12-25
Release date:2018-12-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Dissection of the substrate preference and structure of gut microbial beta-glucuronidases identifies the major bacteria causing xenobiotic toxicity
To Be Published
5Z1B
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BU of 5z1b by Molmil
Structure of Bifidobacterium dentium beta-glucuronidase complexed with coumarin-3-O-glucuronide
Descriptor: 3-HYDROXY-2H-CHROMEN-2-ONE, Glycosyl hydrolase family 2, TIM barrel domain protein, ...
Authors:Dashnyam, P, Lin, H.Y, Lin, C.H.
Deposit date:2017-12-25
Release date:2018-12-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Dissection of the substrate preference and structure of gut microbial-glucuronidases identifies the major bacteria causing xenobiotic toxicity
To Be Published
9IIT
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BU of 9iit by Molmil
Full length structure of FKP in complex with GTP and GDP
Descriptor: ACETATE ION, FORMIC ACID, GLYCEROL, ...
Authors:Ko, T.P, Lin, S.W, Hsu, M.F, Lin, C.H.
Deposit date:2024-06-21
Release date:2025-03-05
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insight into the catalytic mechanism of the bifunctional enzyme l-fucokinase/GDP-fucose pyrophosphorylase.
J.Biol.Chem., 301, 2025
9IIS
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BU of 9iis by Molmil
GDP-fucose pyrophosphorylase part of FKP with a SUMO tag
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, Ubiquitin-like protein SMT3,L-fucokinase/L-fucose-1-P guanylyltransferase
Authors:Ko, T.P, Lin, S.W, Hsu, M.F, Lin, C.H.
Deposit date:2024-06-21
Release date:2025-03-05
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural insight into the catalytic mechanism of the bifunctional enzyme l-fucokinase/GDP-fucose pyrophosphorylase.
J.Biol.Chem., 301, 2025
9IIP
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BU of 9iip by Molmil
Fucokinase part of FKP with beta-L-fucose 1-phosphate
Descriptor: 6-deoxy-1-O-phosphono-beta-L-galactopyranose, L-fucokinase/L-fucose-1-P guanylyltransferase
Authors:Ko, T.P, Lin, S.W, Hsu, M.F, Lin, C.H.
Deposit date:2024-06-21
Release date:2025-03-05
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural insight into the catalytic mechanism of the bifunctional enzyme l-fucokinase/GDP-fucose pyrophosphorylase.
J.Biol.Chem., 301, 2025
3PHJ
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BU of 3phj by Molmil
Shikimate 5-Dehydrogenase (aroE) from Helicobacter pylori in complex with 3-Dehydroshikimate
Descriptor: 3-DEHYDROSHIKIMATE, Shikimate dehydrogenase
Authors:Cheng, W.C, Lin, S.C, Lin, C.H, Wang, W.C.
Deposit date:2010-11-04
Release date:2011-11-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Shikimate 5-Dehydrogenase (aroE) from Helicobacter pylori in complex with 3-Dehydroshikimate
To be Published
3UZB
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BU of 3uzb by Molmil
Crystal Structures of Branched-Chain Aminotransferase from Deinococcus radiodurans Complexes with alpha-Ketoisocaproate and L-Glutamate Suggest Its Radio-Resistance for Catalysis
Descriptor: 2-OXO-4-METHYLPENTANOIC ACID, Branched-chain-amino-acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Chen, C.D, Huang, Y.C, Chuankhayan, P, Hsieh, Y.C, Huang, T.F, Lin, C.H, Guan, H.H, Liu, M.Y, Chang, W.C, Chen, C.J.
Deposit date:2011-12-07
Release date:2012-12-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structures of Complexes of the Branched-Chain Aminotransferase from Deinococcus radiodurans with alpha-Ketoisocaproate and L-Glutamate Suggest the Radiation Resistance of This Enzyme for Catalysis
J.Bacteriol., 194, 2012
3UYY
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BU of 3uyy by Molmil
Crystal Structures of Branched-Chain Aminotransferase from Deinococcus radiodurans Complexes with alpha-Ketoisocaproate and L-Glutamate Suggest Its Radio-Resistance for Catalysis
Descriptor: Branched-chain-amino-acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Chen, C.D, Huang, Y.C, Chuankhayan, P, Hsieh, Y.C, Huang, T.F, Lin, C.H, Guan, H.H, Liu, M.Y, Chang, W.C, Chen, C.J.
Deposit date:2011-12-07
Release date:2012-12-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of Complexes of the Branched-Chain Aminotransferase from Deinococcus radiodurans with alpha-Ketoisocaproate and L-Glutamate Suggest the Radiation Resistance of This Enzyme for Catalysis
J.Bacteriol., 194, 2012
3O98
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BU of 3o98 by Molmil
Glutathionylspermidine synthetase/amidase C59A complex with ADP and Gsp
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Bifunctional glutathionylspermidine synthetase/amidase, GLUTATHIONYLSPERMIDINE, ...
Authors:Pai, C.H, Lin, C.H, Wang, A.H.-J.
Deposit date:2010-08-04
Release date:2011-03-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and mechanism of Escherichia coli glutathionylspermidine amidase belonging to the family of cysteine; histidine-dependent amidohydrolases/peptidases
Protein Sci., 20, 2011
3UZO
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BU of 3uzo by Molmil
Crystal Structures of Branched-Chain Aminotransferase from Deinococcus radiodurans Complexes with alpha-Ketoisocaproate and L-Glutamate Suggest Its Radio-Resistance for Catalysis
Descriptor: Branched-chain-amino-acid aminotransferase, GLUTAMIC ACID, PYRIDOXAL-5'-PHOSPHATE
Authors:Chen, C.D, Huang, Y.C, Chuankhayan, P, Hsieh, Y.C, Huang, T.F, Lin, C.H, Guan, H.H, Liu, M.Y, Chang, W.C, Chen, C.J.
Deposit date:2011-12-07
Release date:2012-12-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Complexes of the Branched-Chain Aminotransferase from Deinococcus radiodurans with alpha-Ketoisocaproate and L-Glutamate Suggest the Radiation Resistance of This Enzyme for Catalysis
J.Bacteriol., 194, 2012
2XIB
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BU of 2xib by Molmil
CRYSTAL STRUCTURE OF AN ALPHA-L-FUCOSIDASE GH29 FROM BACTEROIDES THETAIOTAOMICRON IN COMPLEX WITH DEOXYFUCONOJIRIMYCIN
Descriptor: (2S,3R,4S,5R)-2-METHYLPIPERIDINE-3,4,5-TRIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALPHA-L-FUCOSIDASE, ...
Authors:Lammerts van Bueren, A, Popat, S.D, Lin, C.H, Davies, G.J.
Deposit date:2010-06-28
Release date:2010-07-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Thermodynamic Analyses of Alpha-L-Fucosidase Inhibitors.
Chembiochem, 11, 2010
3PHL
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BU of 3phl by Molmil
The apo-form UDP-glucose 6-dehydrogenase
Descriptor: UDP-glucose 6-dehydrogenase
Authors:Chen, Y.Y, Ko, T.P, Lin, C.H, Chen, W.H, Wang, A.H.J.
Deposit date:2010-11-04
Release date:2011-09-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational change upon product binding to Klebsiella pneumoniae UDP-glucose dehydrogenase: a possible inhibition mechanism for the key enzyme in polymyxin resistance.
J.Struct.Biol., 175, 2011
2IO8
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BU of 2io8 by Molmil
E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Bifunctional glutathionylspermidine synthetase/amidase, CYSTEINE, ...
Authors:Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H.
Deposit date:2006-10-10
Release date:2006-12-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
2IO7
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BU of 2io7 by Molmil
E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ and AMPPNP
Descriptor: Bifunctional glutathionylspermidine synthetase/amidase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Pai, C.H, Chiang, B.Y, Ko, T.P, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H.
Deposit date:2006-10-10
Release date:2006-12-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
2IO9
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BU of 2io9 by Molmil
E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ ,GSH and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Bifunctional glutathionylspermidine synthetase/amidase, GLUTATHIONE, ...
Authors:Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H.
Deposit date:2006-10-10
Release date:2006-12-12
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
2IOB
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BU of 2iob by Molmil
E. coli Bifunctional glutathionylspermidine synthetase/amidase Apo protein
Descriptor: Bifunctional glutathionylspermidine synthetase/amidase
Authors:Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H.
Deposit date:2006-10-10
Release date:2006-12-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
2IOA
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BU of 2ioa by Molmil
E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ and ADP and phosphinate inhibitor
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Bifunctional glutathionylspermidine synthetase/amidase, D-GAMMA-GLUTAMYL-N-{[(R)-{4-[(4-AMINOBUTYL)AMINO]BUTYL}(PHOSPHONOOXY)PHOSPHORYL]METHYL}-D-ALANINAMIDE, ...
Authors:Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H.
Deposit date:2006-10-10
Release date:2006-12-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
2LZK
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BU of 2lzk by Molmil
NMR solution structure of an N2-guanine DNA adduct derived from the potent tumorigen dibenzo[a,l]pyrene: Intercalation from the minor groove with ruptured Watson-Crick base pairing
Descriptor: (11S,12S,13S)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol, DNA (5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3')
Authors:Tang, Y, Liu, Z, Ding, S, Lin, C.H, Cai, Y, Rodriguez, F.A, Sayer, J.M, Jerina, D.M, Amin, S, Broyde, S, Geacintov, N.E.
Deposit date:2012-10-04
Release date:2012-11-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Nuclear Magnetic Resonance Solution Structure of an N(2)-Guanine DNA Adduct Derived from the Potent Tumorigen Dibenzo[a,l]pyrene: Intercalation from the Minor Groove with Ruptured Watson-Crick Base Pairing.
Biochemistry, 51, 2012
2MIW
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BU of 2miw by Molmil
Nuclear magnetic resonance studies of N2-guanine adducts derived from the tumorigen dibenzo[a,l]pyrene in DNA: Impact of adduct stereochemistry, size, and local DNA structure on solution conformations
Descriptor: (11R,12R,13R)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol, DNA_(5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA_(5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3')
Authors:Rodriguez, F.A, Liu, Z, Lin, C.H, Ding, S, Cai, Y, Kolbanovskiy, A, Kolbanovskiy, M, Amin, S, Broyde, S, Geacintov, N.E.
Deposit date:2013-12-20
Release date:2014-04-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Nuclear Magnetic Resonance Studies of an N(2)-Guanine Adduct Derived from the Tumorigen Dibenzo[a,l]pyrene in DNA: Impact of Adduct Stereochemistry, Size, and Local DNA Sequence on Solution Conformations.
Biochemistry, 53, 2014
2MIV
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BU of 2miv by Molmil
NMR studies of N2-guanine adducts derived from the tumorigen dibenzo[a,l]pyrene in DNA: Impact of adduct stereochemistry, size, and local DNA structure on solution conformations
Descriptor: (11R,12R,13R)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol, DNA_(5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA_(5'-D(*GP*GP*TP*AP*GP*GP*AP*TP*GP*G)-3')
Authors:Rodriguez, F.A, Liu, Z, Lin, C.H, Ding, S, Cai, Y, Kolbanovskiy, A, Kolbanovskiy, M, Amin, S, Broyde, S, Geacintov, N.E.
Deposit date:2013-12-20
Release date:2014-04-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Nuclear Magnetic Resonance Studies of an N(2)-Guanine Adduct Derived from the Tumorigen Dibenzo[a,l]pyrene in DNA: Impact of Adduct Stereochemistry, Size, and Local DNA Sequence on Solution Conformations.
Biochemistry, 53, 2014
2XII
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BU of 2xii by Molmil
CRYSTAL STRUCTURE OF AN ALPHA-L-FUCOSIDASE GH29 FROM BACTEROIDES THETAIOTAOMICRON IN COMPLEX WITH AN EXTENDED 9-FLUORENONE IMINOSUGAR INHIBITOR
Descriptor: 9-oxo-N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-piperidin-2-yl]methyl]fluorene-1-carboxamide, ALPHA-L-FUCOSIDASE, GLYCEROL, ...
Authors:Lammerts van Bueren, A, Popat, S.D, Lin, C.H, Davies, G.J.
Deposit date:2010-06-30
Release date:2010-07-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Thermodynamic Analyses of Alpha-L-Fucosidase Inhibitors.
Chembiochem, 11, 2010
2HWR
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BU of 2hwr by Molmil
Structural basis for the structure-activity relationships of Peroxisome Proliferator-Activated Receptor agonists
Descriptor: 2-[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-4-YL)OXY]-2-METHYLPROPANOIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Peng, Y.H, Lu, I.L, Mahindroo, N, Lin, C.H, Hsieh, H.P, Wu, S.Y.
Deposit date:2006-08-01
Release date:2007-08-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural basis for the structure-activity relationships of peroxisome proliferator-activated receptor agonists
J.Med.Chem., 49, 2006
2HWQ
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BU of 2hwq by Molmil
Structural basis for the structure-activity relationships of Peroxisome Proliferator-Activated Receptor agonists
Descriptor: Peroxisome proliferator-activated receptor gamma, [(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-5-YL)OXY]ACETIC ACID
Authors:Peng, Y.H, Lu, I.L, Mahindroo, N, Lin, C.H, Hsieh, H.P, Wu, S.Y.
Deposit date:2006-08-01
Release date:2007-08-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis for the structure-activity relationships of peroxisome proliferator-activated receptor agonists
J.Med.Chem., 49, 2006
7C8T
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BU of 7c8t by Molmil
Complex Structure of SARS-CoV-2 3CL Protease with TG-0205221
Descriptor: 3C-like proteinase, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE
Authors:Lee, C.C, Wang, A.H.J, Kuo, C.J, Liang, P.H.
Deposit date:2020-06-03
Release date:2020-06-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Complex Structures and Cellular Activities of the Potent SARS-CoV-2 3CLpro Inhibitors Guiding Drug Discovery Against COVID-19
To Be Published
8IN2
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BU of 8in2 by Molmil
4,5-DOPA-extradiol-dioxygenase from Beta vulgaris
Descriptor: 4,5-DOPA dioxygenase extradiol, FE (III) ION
Authors:Chiang, C.C, Hsu, C.H.
Deposit date:2023-03-08
Release date:2024-04-24
Last modified:2025-05-07
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Structural Insights into 4,5-DOPA Extradiol Dioxygenase from Beta vulgaris : Unraveling the Key Step in Versatile Betalain Biosynthesis.
J.Agric.Food Chem., 73, 2025

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