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5WRY
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BU of 5wry by Molmil
Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
分子名称: N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-[(2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)methyl]-2-fluorobenzamide, Poly [ADP-ribose] polymerase 1
著者Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L.
登録日2016-12-04
公開日2017-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
5WRZ
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BU of 5wrz by Molmil
Structure of human PARP1 catalytic domain bound to a phthalazinone inhibitor
分子名称: 7-fluoranyl-4-[[(3R)-pyrrolidin-3-yl]methoxy]-2H-phthalazin-1-one, Poly [ADP-ribose] polymerase 1
著者Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L.
登録日2016-12-04
公開日2017-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of human PARP1 catalytic domain bound to a phthalazinone inhibitor
To Be Published
5WS1
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BU of 5ws1 by Molmil
Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor
分子名称: 2-[(3R)-3-azanylpyrrolidin-1-yl]carbonyl-1H-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1
著者Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L.
登録日2016-12-04
公開日2017-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor
To Be Published
5WTC
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BU of 5wtc by Molmil
Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
分子名称: 1-[[4-fluoranyl-3-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1
著者Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L.
登録日2016-12-11
公開日2017-01-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
5WRQ
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BU of 5wrq by Molmil
Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
分子名称: 5-[[2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-2-fluoranyl-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]benzamide, Poly [ADP-ribose] polymerase 1
著者Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L.
登録日2016-12-03
公開日2017-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
5XT0
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BU of 5xt0 by Molmil
Crystal Structure of Transketolase in complex with TPP intermediate VIII from Pichia Stipitis
分子名称: 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, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-16
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献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
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, ERYTHOSE-4-PHOSPHATE, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-04
公開日2018-06-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献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
分子名称: 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, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-21
公開日2018-06-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.049 Å)
主引用文献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
分子名称: 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, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-22
公開日2018-06-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.166 Å)
主引用文献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
分子名称: 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, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-07
公開日2018-06-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献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
分子名称: 5-O-phosphono-alpha-D-ribofuranose, CALCIUM ION, THIAMINE DIPHOSPHATE, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-06
公開日2018-06-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献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
分子名称: 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, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-09
公開日2018-06-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
7DQ9
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BU of 7dq9 by Molmil
Crystal structure of a type-A feruloyl esterase from gut Alistipes shahii
分子名称: Predicted hydrolases or acyltransferases (Alpha/beta hydrolase superfamily)
著者Wei, X, Gu, T.Y, Xin, F.J, Wang, Y.L.
登録日2020-12-22
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献The alpha-Helical Cap Domain of a Novel Esterase from Gut Alistipes shahii Shaping the Substrate-Binding Pocket.
J.Agric.Food Chem., 69, 2021
5XSM
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BU of 5xsm by Molmil
Crystal Structure of Transketolase in complex with TPP intermediate IV from Pichia Stipitis
分子名称: 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, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-14
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献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
分子名称: 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
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-13
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.975 Å)
主引用文献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
分子名称: 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, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-21
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.931 Å)
主引用文献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
分子名称: 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, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-28
公開日2018-04-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献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
分子名称: 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, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-23
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.88 Å)
主引用文献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
分子名称: 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
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-13
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.918 Å)
主引用文献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
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, THIAMINE DIPHOSPHATE, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-12
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.972 Å)
主引用文献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
分子名称: 2-methylpyrimidin-4-amine, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-20
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.101 Å)
主引用文献The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018
7CTV
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BU of 7ctv by Molmil
Crystal structure of Arabidopsis thaliana SOBIR1 kinase domain D489A mutant in complex with AMP-PNP and magnesium
分子名称: Leucine-rich repeat receptor-like serine/threonine/tyrosine-protein kinase SOBIR1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Wei, X, Wang, Y.L, Gu, T.Y, Xin, F.J.
登録日2020-08-20
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8856113 Å)
主引用文献Crystal structure of Arabidopsis thaliana SOBIR1 kinase domain D489A mutant in complex with AMP-PNP and magnesium
To Be Published
7CTX
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BU of 7ctx by Molmil
Crystal structure of Arabidopsis thaliana SOBIR1 kinase domain(residues 388-401 deleted) in complex with AMP-PNP and magnesium
分子名称: Leucine-rich repeat receptor-like serine/threonine/tyrosine-protein kinase SOBIR1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Wei, X, Wang, Y.L, Gu, T.Y, Xin, F.J.
登録日2020-08-20
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.907 Å)
主引用文献Crystal structure of Arabidopsis thaliana SOBIR1 kinase domain(residues 388-401 deleted) in complex with AMP-PNP and magnesium
To Be Published
7F0C
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BU of 7f0c by Molmil
Crystal structure of capreomycin phosphotransferase in complex with CMN IIA
分子名称: Capreomycin phosphotransferase, DPP-SER-DPP-UAL-MYN-KBE
著者Chang, C.Y, Pan, Y.C, Wang, Y.L, Toh, S.I.
登録日2021-06-03
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Dual-Mechanism Confers Self-Resistance to the Antituberculosis Antibiotic Capreomycin.
Acs Chem.Biol., 17, 2022
7F0B
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BU of 7f0b by Molmil
Crystal structure of capreomycin phosphotransferase in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Capreomycin phosphotransferase
著者Chang, C.Y, Pan, Y.C, Wang, Y.L, Toh, S.I.
登録日2021-06-03
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Dual-Mechanism Confers Self-Resistance to the Antituberculosis Antibiotic Capreomycin.
Acs Chem.Biol., 17, 2022

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