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7DTQ
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BU of 7dtq by Molmil
Apo Crystal Structure of Octaketide Synthase from A. arborescens
Descriptor: Octaketide synthase 1
Authors:Li, T.L, Adhikari, K, Li, Y.S.
Deposit date:2021-01-06
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Apo Crystal Structure of Octaketide synthase from Aloe arborescens.
To Be Published
6A39
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BU of 6a39 by Molmil
The crystal structure of Mandelate oxidase Y128F with C4a-Malic acid-monooxide-FMN adduct
Descriptor: (~{E})-2-[[(4~{a}~{S})-7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2~{S},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-5~{H}-benzo[g]pteridin-4~{a}-yl]oxy]-3-oxidanyl-but-2-enedioic acid, 4-hydroxymandelate oxidase
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-15
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The crystal structure of Mandelate oxidase mutant Y128F with C4a-Malic acid-monooxide-FMN adduct
To Be Published
6AI7
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BU of 6ai7 by Molmil
Mandelate oxidase mutant-Y128F with the C4a-OH-FMN adduct
Descriptor: 1-deoxy-1-[(4aS)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol, 4-hydroxymandelate oxidase
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-08-21
Release date:2019-08-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The crystal structure of Mandelate oxidase mutant-Y128F with the C4a-OH-FMN adduct
To Be Published
6M2T
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BU of 6m2t by Molmil
The crystal structure of benzoate coenzyme A ligase double mutant (H333A/I334A) in complex with 2-methyl-thiazole-5 carboxylate-AMP
Descriptor: 2-methyl-1,3-thiazole-5-carboxylic acid, ADENOSINE MONOPHOSPHATE, Benzoate-coenzyme A ligase
Authors:Li, T.L, Adhikari, K.
Deposit date:2020-02-29
Release date:2021-03-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:The crystal structure of benzoate coenzyme A ligase double mutant (H333A/I334A) in complex with 2-methyl-thiazole-5 carboxylate-AMP
To Be Published
6M2U
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BU of 6m2u by Molmil
The crystal structure of benzoate coenzyme A ligase double mutant (H333A/I334A) in complex with 2-chloro-1,3-thiazole-5-carboxylate-AMP
Descriptor: 2-chloranyl-1,3-thiazole-5-carboxylic acid, ADENOSINE MONOPHOSPHATE, Benzoate-coenzyme A ligase
Authors:Li, T.L, Adhikari, K.
Deposit date:2020-02-29
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.709 Å)
Cite:Chemoenzymatic Synthesis and Biological Evaluation for Bioactive Molecules Derived from Bacterial Benzoyl Coenzyme A Ligase and Plant Type III Polyketide Synthase.
Biomolecules, 10, 2020
7BSR
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BU of 7bsr by Molmil
Mandelate oxidase with the 2-Hydroxy-3-oxosuccinic acid
Descriptor: (2~{S})-2-oxidanyl-3-oxidanylidene-butanedioic acid, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, 4-hydroxymandelate oxidase
Authors:Li, T.L, Lin, K.H.
Deposit date:2020-03-31
Release date:2020-07-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.894 Å)
Cite:Structural and chemical trapping of flavin-oxide intermediates reveals substrate-directed reaction multiplicity.
Protein Sci., 29, 2020
6IIY
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BU of 6iiy by Molmil
Crystal structure of deacetylase triple mutant (Orf2*T) that involving in teicoplanin biosynthetic pathway
Descriptor: COBALT (II) ION, IMIDAZOLE, deacetylase
Authors:Li, T.L, Huang, C.M.
Deposit date:2018-10-08
Release date:2019-10-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Teicoplanin Reprogrammed with the N-Acyl-Glucosamine Pharmacophore at the Penultimate Residue of Aglycone Acquires Broad-Spectrum Antimicrobial Activities Effectively Killing Gram-Positive and -Negative Pathogens.
Acs Infect Dis., 5, 2019
6IIX
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BU of 6iix by Molmil
The crystal structure of acyltransferase mutant, orf11*-W163A, in complex with octanoyl-CoA
Descriptor: OCTANOYL-COENZYME A, SULFATE ION, acyltransferase
Authors:Li, T.L, Huang, C.M.
Deposit date:2018-10-08
Release date:2019-10-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Teicoplanin Reprogrammed with the N-Acyl-Glucosamine Pharmacophore at the Penultimate Residue of Aglycone Acquires Broad-Spectrum Antimicrobial Activities Effectively Killing Gram-Positive and -Negative Pathogens.
Acs Infect Dis., 5, 2019
6A19
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BU of 6a19 by Molmil
Mandelate oxidase mutant-Y128F with Benzoylformic acid
Descriptor: 4-hydroxymandelate oxidase, BENZOYL-FORMIC ACID, FLAVIN MONONUCLEOTIDE
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-06
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The flavin mononucleotide cofactor in alpha-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level.
Acta Crystallogr D Struct Biol, 75, 2019
6A08
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BU of 6a08 by Molmil
The crystal structure of Mandelate oxidase with benzoyl-formic acid
Descriptor: 4-hydroxymandelate oxidase, BENZOYL-FORMIC ACID, FLAVIN MONONUCLEOTIDE, ...
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.547 Å)
Cite:The flavin mononucleotide cofactor in alpha-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level.
Acta Crystallogr D Struct Biol, 75, 2019
7EU6
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BU of 7eu6 by Molmil
Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its utilization in chemoselective synthesis.
Descriptor: Cupin domain-containing protein, FE (III) ION, PHOSPHITE ION
Authors:Li, T.L, Li, Y.S, Chen, M.H.
Deposit date:2021-05-16
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.050108 Å)
Cite:Structural and Mechanistic Bases for StnK3 and Its Mutant-Mediated Lewis-Acid-Dependent Epimerization and Retro-Aldol Reactions.
Acs Catalysis, 12, 2022
7EUE
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BU of 7eue by Molmil
Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its utilization in chemoselective synthesis.
Descriptor: 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID, Cupin domain-containing protein, FE (III) ION
Authors:Li, T.L, Li, Y.S, Chen, M.H.
Deposit date:2021-05-17
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.08757067 Å)
Cite:Structural and Mechanistic Bases for StnK3 and Its Mutant-Mediated Lewis-Acid-Dependent Epimerization and Retro-Aldol Reactions.
Acs Catalysis, 12, 2022
7F6X
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BU of 7f6x by Molmil
Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its utilization in chemoselective synthesis.
Descriptor: 1H-INDOLE-3-CARBALDEHYDE, Cupin domain-containing protein, FE (III) ION, ...
Authors:Li, T.L, Li, Y.S, Chen, M.H.
Deposit date:2021-06-26
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural and Mechanistic Bases for StnK3 and Its Mutant-MediatedLewis-Acid-Dependent Epimerization and Retro-Aldol Reactions.
Acs Catalysis, 12, 2022
7EUZ
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BU of 7euz by Molmil
Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its utilization in chemoselective synthesis.
Descriptor: (2S,3R)-2-azanyl-3-(1H-indol-3-yl)butanoic acid, Cupin domain-containing protein, FE (III) ION, ...
Authors:Li, T.L, Li, Y.S, Chen, M.H.
Deposit date:2021-05-19
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91028166 Å)
Cite:Structural and Mechanistic Bases for StnK3 and Its Mutant-Mediated Lewis-Acid-Dependent Epimerization and Retro-Aldol Reactions.
Acs Catalysis, 12, 2022
7EQK
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BU of 7eqk by Molmil
Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its utilization in chemoselective synthesis.
Descriptor: (E)-3-(1H-indol-3-yl)-2-oxidanyl-but-2-enoic acid, 1-(1~{H}-indol-3-yl)ethanone, Cupin domain-containing protein, ...
Authors:Li, T.L, Li, Y.S, Chen, M.H.
Deposit date:2021-05-03
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.04001021 Å)
Cite:Structural and Mechanistic Bases for StnK3 and Its Mutant-Mediated Lewis-Acid-Dependent Epimerization and Retro-Aldol Reactions.
Acs Catalysis, 12, 2022
7EUP
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BU of 7eup by Molmil
Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its utilization in chemoselective synthesis.
Descriptor: (2S,3R)-2-azanyl-3-phenyl-butanoic acid, Cupin domain-containing protein, FE (III) ION
Authors:Li, T.L, Li, Y.S, Chen, M.H.
Deposit date:2021-05-18
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.11043429 Å)
Cite:Structural and Mechanistic Bases for StnK3 and Its Mutant-Mediated Lewis-Acid-Dependent Epimerization and Retro-Aldol Reactions.
Acs Catalysis, 12, 2022
5ZZR
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BU of 5zzr by Molmil
The crystal structure of Mandelate oxidase with (S)-mandelic acid
Descriptor: (S)-MANDELIC ACID, 4-hydroxymandelate oxidase, FLAVIN MONONUCLEOTIDE
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-04
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:The flavin mononucleotide cofactor in alpha-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level.
Acta Crystallogr D Struct Biol, 75, 2019
5ZZP
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BU of 5zzp by Molmil
The crystal structure of Mandelate oxidase
Descriptor: 4-hydroxymandelate oxidase, FLAVIN MONONUCLEOTIDE
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-04
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:The flavin mononucleotide cofactor in alpha-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level.
Acta Crystallogr D Struct Biol, 75, 2019
6A0V
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BU of 6a0v by Molmil
Mandelate oxidase mutant-Y128F with (S)-mandelic acid
Descriptor: (S)-MANDELIC ACID, 4-hydroxymandelate oxidase, FLAVIN MONONUCLEOTIDE
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-06
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:The flavin mononucleotide cofactor in alpha-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level.
Acta Crystallogr D Struct Biol, 75, 2019
6A13
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BU of 6a13 by Molmil
Mandelate oxidase mutant-Y128F
Descriptor: 4-hydroxymandelate oxidase, FLAVIN MONONUCLEOTIDE
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-06
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The flavin mononucleotide cofactor in alpha-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level.
Acta Crystallogr D Struct Biol, 75, 2019
5XT4
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BU of 5xt4 by Molmil
Crystal Structure of Transketolase in complex with TPP intermediate VIII' from Pichia Stipitis
Descriptor: 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-O-phosphono-D-glucitol, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-16
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
5XU2
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BU of 5xu2 by Molmil
Crystal Structure of Transketolase in complex with TPP_III and fructose-6-phosphate from Pichia Stipitis
Descriptor: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-22
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
5XT0
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BU of 5xt0 by Molmil
Crystal Structure of Transketolase in complex with TPP intermediate VIII from Pichia Stipitis
Descriptor: 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-O-phosphono-D-glucitol, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-16
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
5XQA
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BU of 5xqa by Molmil
Crystal Structure of Transketolase in complex with ribose-5-phosphate from Pichia Stipitis
Descriptor: 5-O-phosphono-alpha-D-ribofuranose, CALCIUM ION, THIAMINE DIPHOSPHATE, ...
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-06
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
5XRV
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BU of 5xrv by Molmil
Crystal Structure of Transketolase in complex with TPP_V and fructose-6-phosphate from Pichia Stipitis
Descriptor: 2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-09
Release date:2018-06-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018

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