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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
7V5L
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BU of 7v5l by Molmil
Crystal structure of human bleomycin hydrolase
分子名称: Bleomycin hydrolase
著者Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C.
登録日2021-08-17
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献The Structure-Function Relationship of Human Bleomycin Hydrolase: Mutation of a Cysteine Protease into a Serine Protease.
Chembiochem, 23, 2022
7V5S
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BU of 7v5s by Molmil
Crystal structure of human bleomycin hydrolase C73A mutant
分子名称: Bleomycin hydrolase, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL
著者Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C.
登録日2021-08-18
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献The Structure-Function Relationship of Human Bleomycin Hydrolase: Mutation of a Cysteine Protease into a Serine Protease.
Chembiochem, 23, 2022
7V5T
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BU of 7v5t by Molmil
Crystal structure of human bleomycin hydrolase C73S mutant
分子名称: Bleomycin hydrolase
著者Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C.
登録日2021-08-18
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献The Structure-Function Relationship of Human Bleomycin Hydrolase: Mutation of a Cysteine Protease into a Serine Protease.
Chembiochem, 23, 2022
7XF9
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BU of 7xf9 by Molmil
Crystal structure of human bleomycin hydrolase H372A mutant
分子名称: Bleomycin hydrolase
著者Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C.
登録日2022-04-01
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The Structure-Function Relationship of Human Bleomycin Hydrolase: Mutation of a Cysteine Protease into a Serine Protease.
Chembiochem, 23, 2022
7XBT
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BU of 7xbt by Molmil
Crystal structure of the adenylation domain of CmnG in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, CmnG, MAGNESIUM ION
著者Chen, I.H, Wang, Y.L, Chang, C.Y.
登録日2022-03-22
公開日2023-03-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Characterization and Structural Determination of CmnG-A, the Adenylation Domain That Activates the Nonproteinogenic Amino Acid Capreomycidine in Capreomycin Biosynthesis.
Chembiochem, 23, 2022
7XBV
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BU of 7xbv by Molmil
Crystal structure of the adenylation domain of CmnG in complex with AMPCPP
分子名称: CmnG, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, PHOSPHATE ION
著者Chen, I.H, Wang, Y.L, Chang, C.Y.
登録日2022-03-22
公開日2023-03-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Characterization and Structural Determination of CmnG-A, the Adenylation Domain That Activates the Nonproteinogenic Amino Acid Capreomycidine in Capreomycin Biosynthesis.
Chembiochem, 23, 2022
7XBU
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BU of 7xbu by Molmil
Crystal structure of the adenylation domain of CmnG in complex with capreomycidine
分子名称: (2S)-amino[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid, CmnG
著者Chen, I.H, Wang, Y.L, Chang, C.Y.
登録日2022-03-22
公開日2023-03-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Characterization and Structural Determination of CmnG-A, the Adenylation Domain That Activates the Nonproteinogenic Amino Acid Capreomycidine in Capreomycin Biosynthesis.
Chembiochem, 23, 2022
7XBS
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BU of 7xbs by Molmil
Crystal structure of the adenylation domain of CmnG
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CmnG
著者Chen, I.H, Wang, Y.L, Chang, C.Y.
登録日2022-03-22
公開日2023-03-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Characterization and Structural Determination of CmnG-A, the Adenylation Domain That Activates the Nonproteinogenic Amino Acid Capreomycidine in Capreomycin Biosynthesis.
Chembiochem, 23, 2022
7XRV
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BU of 7xrv by Molmil
Bacteroides thetaiotaomicron ferulic acid esterase - S150A (BT_4077-S150A) complex with trans-methylferulate
分子名称: CALCIUM ION, Ferulic acid esterase, Trans-methylferulate
著者Du, G.M, Wang, Y.L, Xin, F.J.
登録日2022-05-11
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.713 Å)
主引用文献Insights into the regulatory mechanism of BtFae activity by oligomerization and a distinct substrate binding pocket adjacent to the active site
To Be Published
7XRT
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BU of 7xrt by Molmil
Bacteroides thetaiotaomicron ferulic acid esterase (BT_4077)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Ferulic acid esterase
著者Du, G.M, Wang, Y.L, Xin, F.J.
登録日2022-05-11
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.007 Å)
主引用文献Insights into the regulatory mechanism of BtFae activity by oligomerization and a distinct substrate binding pocket adjacent to the active site
To Be Published
3MZ8
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BU of 3mz8 by Molmil
Crystal Structure of Zinc-Bound Natrin From Naja atra
分子名称: Natrin-1, ZINC ION
著者Wang, Y.L, Hsieh, Y.C, Liu, J.S, Chen, C.J, Wu, W.G.
登録日2010-05-12
公開日2010-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cobra CRISP functions as an inflammatory modulator via a novel Zn2+- and heparan sulfate- dependent transcriptional regulation of endothelial cell adhesion molecules
J.Biol.Chem., 285, 2010
6J8Q
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BU of 6j8q by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Li, G.-B, Liu, S.
登録日2019-01-21
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.787 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN4
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BU of 6jn4 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
分子名称: ACETATE ION, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN5
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BU of 6jn5 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23
分子名称: Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN3
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BU of 6jn3 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, Serine Beta-Lactamase KPC-2, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.216 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN6
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BU of 6jn6 by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS19
分子名称: Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6J8R
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BU of 6j8r by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS01
分子名称: Beta-lactamase class B VIM-2, FORMIC ACID, GLYCEROL, ...
著者Li, G.-B, Liu, S.
登録日2019-01-21
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.575 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6KDV
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BU of 6kdv by Molmil
Crystal structure of TtCas1-DNA complex
分子名称: CRISPR-associated endonuclease Cas1 2, DNA (5'-D(*GP*AP*GP*TP*CP*GP*AP*TP*GP*CP*TP*GP*GP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*CP*CP*AP*GP*CP*AP*TP*CP*GP*AP*CP*TP*C)-3')
著者Wang, Y.L, Li, J.Z, Yang, J, Wang, J.Y.
登録日2019-07-02
公開日2019-12-18
最終更新日2020-05-06
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Crystal structure of Cas1 in complex with branched DNA.
Sci China Life Sci, 63, 2020
6KE1
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BU of 6ke1 by Molmil
Crystal structure of TtCas1
分子名称: CRISPR-associated endonuclease Cas1 2
著者Wang, Y.L, Li, J.Z, Yang, J, Wang, J.Y.
登録日2019-07-03
公開日2019-12-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.39 Å)
主引用文献Crystal structure of Cas1 in complex with branched DNA.
Sci China Life Sci, 63, 2020
5XYX
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BU of 5xyx by Molmil
The structure of p38 alpha in complex with a triazol inhibitor
分子名称: Mitogen-activated protein kinase 14, N-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2H-1,2,4-triazol-3-amine
著者Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N.
登録日2017-07-11
公開日2018-01-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
5XYY
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BU of 5xyy by Molmil
The structure of p38 alpha in complex with a triazol inhibitor
分子名称: 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol, Mitogen-activated protein kinase 14
著者Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N.
登録日2017-07-11
公開日2018-01-17
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
5XYZ
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BU of 5xyz by Molmil
The structure of human BTK kinase domain in complex with a covalent inhibitor
分子名称: N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide, Tyrosine-protein kinase BTK
著者Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Xie, Y.T, Li, L, Qi, X.B, Huang, N.
登録日2017-07-11
公開日2018-05-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
7WCY
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BU of 7wcy by Molmil
Crystal Structure of H-2Kb with Cryptosporidium parvum gp40/15 epitope
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ...
著者Wang, Y.L, Gao, M.H, Zhang, L.X, Fan, S.H.
登録日2021-12-20
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structural Analyses of a Dominant Cryptosporidium parvum Epitope Presented by H-2K b Offer New Options To Combat Cryptosporidiosis.
Mbio, 14, 2023

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