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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
5XQK
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BU of 5xqk by Molmil
Crystal Structure of Transketolase in complex with xylulose-5-phosphate 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-thia zol-3-ium-2-yl}-5-O-phosphono-D-xylitol, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-07
Release date:2018-06-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.12 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
5XPS
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BU of 5xps by Molmil
Crystal Structure of Transketolase in complex with erythrose-4-phosphate from Pichia Stipitis
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, ERYTHOSE-4-PHOSPHATE, ...
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-04
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
5XTX
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BU of 5xtx by Molmil
Crystal Structure of Transketolase in complex with TPP intermediate VII from Pichia Stipitis
Descriptor: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-2-[(2S,3S,4R,5R)-1,2,3,4,5-pentakis(oxidanyl)-6-phosphonooxy-hexan-2-yl]-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:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.049 Å)
Cite:Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
5XU9
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BU of 5xu9 by Molmil
Crystal Structure of Transketolase in complex with TPP intermediate IX and gauche form erythrose-4-phosphate from Pichia Stipitis
Descriptor: 2-[(2E)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[1,2-bis(oxidanyl)ethylidene]-4-methyl-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 (1.166 Å)
Cite:Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
5EAJ
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BU of 5eaj by Molmil
Crystal structure of DHFR in 0% Isopropanol
Descriptor: CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ...
Authors:Cuneo, M.J, Agarwal, P.K.
Deposit date:2015-10-16
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Modulating Enzyme Activity by Altering Protein Dynamics with Solvent.
Biochemistry, 57, 2018
5XU8
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BU of 5xu8 by Molmil
Crystal structure of human USP2 in complex with ubiquitin and 6-thioguanine
Descriptor: 2-amino-1,9-dihydro-6H-purine-6-thione, CHLORIDE ION, SODIUM ION, ...
Authors:Chou, C.Y, Chuang, S.J.
Deposit date:2017-06-22
Release date:2018-02-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:6-Thioguanine is a noncompetitive and slow binding inhibitor of human deubiquitinating protease USP2
Sci Rep, 8, 2018
5XVE
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BU of 5xve by Molmil
Crystal structure of human USP2 C276S mutant in complex with ubiquitin
Descriptor: Ubiquitin carboxyl-terminal hydrolase 2, Ubiquitin-40S ribosomal protein S27a, ZINC ION
Authors:Chou, C.Y, Tang, H.C.
Deposit date:2017-06-27
Release date:2018-02-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:6-Thioguanine is a noncompetitive and slow binding inhibitor of human deubiquitinating protease USP2
Sci Rep, 8, 2018
7LTJ
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BU of 7ltj by Molmil
Room-temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with a non-covalent inhibitor Mcule-5948770040
Descriptor: 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2021-02-19
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor.
J.Chem.Inf.Model., 62, 2022
5UJX
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BU of 5ujx by Molmil
Crystal structure of DHFR in 20% Isopropanol
Descriptor: CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ...
Authors:Cuneo, M.J, Agarwal, P.K.
Deposit date:2017-01-19
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Modulating Enzyme Activity by Altering Protein Dynamics with Solvent.
Biochemistry, 57, 2018
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