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PDB: 302 results

7VPH
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BU of 7vph by Molmil
Crystal structure of the C-terminal tail of SARS-CoV-2 Orf6 complex with human nucleoporin pair Rae1-Nup98
Descriptor: Isoform 3 of Nuclear pore complex protein Nup98-Nup96, ORF6 protein, mRNA export factor
Authors:Li, T, Guo, H, Yang, T, Wen, Y, Ji, X.
Deposit date:2021-10-17
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular Mechanism of SARS-CoVs Orf6 Targeting the Rae1-Nup98 Complex to Compete With mRNA Nuclear Export.
Front Mol Biosci, 8, 2021
7CO5
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BU of 7co5 by Molmil
HtrA-type protease AlgW with decapeptide
Descriptor: AlgW protein, IMIDAZOLE, decapeptide SVRDELRWVF
Authors:Li, T, Song, Y.J, Bao, R.
Deposit date:2020-08-03
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.345 Å)
Cite:Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa.
Mbio, 12, 2021
5XSM
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BU of 5xsm by Molmil
Crystal Structure of Transketolase in complex with TPP intermediate IV from Pichia Stipitis
Descriptor: 2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-14
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5XSA
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BU of 5xsa by Molmil
Crystal Structure of Transketolase in complex with TPP intermediate III 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, Transketolase
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-13
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.975 Å)
Cite:The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5XTV
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BU of 5xtv by Molmil
Crystal Structure of Transketolase in complex with TPP intermediate V 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:2017-06-21
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.931 Å)
Cite:The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5XVT
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BU of 5xvt by Molmil
Crystal Structure of Transketolase in complex with hydroxylated TPP from Pichia Stipitis, crystal 2
Descriptor: 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-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:2017-06-28
Release date:2018-04-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5XUF
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BU of 5xuf by Molmil
Crystal Structure of Transketolase in complex with hydroxylated TPP from Pichia Stipitis, crystal I
Descriptor: 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-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:2017-06-23
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.88 Å)
Cite:The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5XSB
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BU of 5xsb by Molmil
Crystal Structure of Transketolase in complex with TPP intermediate III 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, Transketolase
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-13
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.918 Å)
Cite:The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5XS6
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BU of 5xs6 by Molmil
Crystal Structure of Transketolase in complex with TPP Pichia Stipitis
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, THIAMINE DIPHOSPHATE, ...
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-12
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.972 Å)
Cite:The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5XTL
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BU of 5xtl by Molmil
Crystal Structure of Transketolase in complex with aminopyrimidine and cysteine sulfonic acid adduct from Pichia Stipitis
Descriptor: 2-methylpyrimidin-4-amine, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-20
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018
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
7VXG
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BU of 7vxg by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TK-453
Descriptor: 6-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-3-[2,3-bis(chloranyl)phenyl]sulfanyl-pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Li, T.H, Guo, H.T, Ji, X.Y.
Deposit date:2021-11-12
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SHP2 allosteric inhibitor TK-453 alleviates psoriasis-like skin inflammation in mice via inhibition of IL-23/Th17 axis.
Iscience, 25, 2022
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
4OCO
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BU of 4oco by Molmil
N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc-1-phosphate
Descriptor: 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase
Authors:Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J.
Deposit date:2014-01-09
Release date:2014-05-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes.
Acta Crystallogr.,Sect.D, 70, 2014
4OCJ
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BU of 4ocj by Molmil
N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase, SODIUM ION
Authors:Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J.
Deposit date:2014-01-09
Release date:2014-05-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.571 Å)
Cite:Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes.
Acta Crystallogr.,Sect.D, 70, 2014
4OCU
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BU of 4ocu by Molmil
N-acetylhexosamine 1-phosphate kinase_ATCC15697 in complex with GlcNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase, SULFATE ION
Authors:Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J.
Deposit date:2014-01-09
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes.
Acta Crystallogr.,Sect.D, 70, 2014
4OCP
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BU of 4ocp by Molmil
N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc-1-phosphate and ADP
Descriptor: 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J.
Deposit date:2014-01-09
Release date:2014-05-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.938 Å)
Cite:Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes.
Acta Crystallogr.,Sect.D, 70, 2014
4OCV
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BU of 4ocv by Molmil
N-acetylhexosamine 1-phosphate kinase_ATCC15697 in complex with GlcNAc and AMPPNP
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J.
Deposit date:2014-01-09
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.472 Å)
Cite:Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes.
Acta Crystallogr.,Sect.D, 70, 2014
4OCQ
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BU of 4ocq by Molmil
N-acetylhexosamine 1-phosphate kinase in complex with GalNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, N-acetylhexosamine 1-phosphate kinase
Authors:Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J.
Deposit date:2014-01-09
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.878 Å)
Cite:Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes.
Acta Crystallogr.,Sect.D, 70, 2014
4OCK
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BU of 4ock by Molmil
N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc and AMPPNP
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J.
Deposit date:2014-01-09
Release date:2014-05-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes.
Acta Crystallogr.,Sect.D, 70, 2014
8IAG
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BU of 8iag by Molmil
Crystal structure of rDcaUPO A161C mutant from Daldinia caldariorum
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, IMIDAZOLE, MAGNESIUM ION, ...
Authors:Li, T, Wang, Y.
Deposit date:2023-02-08
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.50000155 Å)
Cite:Crystal structure of rDcaUPO A161C mutant from Daldinia caldariorum
To Be Published
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
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
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
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

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