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6JQB
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BU of 6jqb by Molmil
The structure of maltooligosaccharide-forming amylase from Pseudomonas saccharophila STB07 with pseudo-maltoheptaose
分子名称: 1,2-ETHANEDIOL, ACARBOSE DERIVED HEPTASACCHARIDE, CALCIUM ION, ...
著者Li, Z.F, Ban, X.F, Zhang, Z.Q, Li, C.M, Gu, Z.B, Jin, T.C, Li, Y.L, Shang, Y.H.
登録日2019-03-30
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.101 Å)
主引用文献Structure of maltotetraose-forming amylase from Pseudomonas saccharophila STB07 provides insights into its product specificity.
Int.J.Biol.Macromol., 154, 2020
7D9O
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BU of 7d9o by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 2
分子名称: (2R)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Liu, Q.F, Yin, W.C.
登録日2020-10-14
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
7D9P
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BU of 7d9p by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 12
分子名称: (2S)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Liu, Q.F, Yin, W.C.
登録日2020-10-14
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
7D9Q
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BU of 7d9q by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 7
分子名称: (2S)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Liu, Q.F, Yin, W.C.
登録日2020-10-14
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
8GYD
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BU of 8gyd by Molmil
Structure of Schistosoma japonicum Glutathione S-transferase bound with the ligand complex of 16
分子名称: (2R)-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid, ETHANOL, Glutathione S-transferase class-mu 26 kDa isozyme
著者Wen, X, Jin, R, Hu, H, Zhu, J, Song, W, Lu, X.
登録日2022-09-22
公開日2023-08-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery, SAR Study of GST Inhibitors from a Novel Quinazolin-4(1 H )-one Focused DNA-Encoded Library.
J.Med.Chem., 66, 2023
5YEY
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BU of 5yey by Molmil
The structure of a chair-type G-quadruplex of the human telomeric variant in K+ solution
分子名称: DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*TP*GP*GP*G)-3')
著者Liu, C, Zhou, B, Kuryavyi, V.V, Zhu, G.
登録日2017-09-20
公開日2018-09-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A chair-type G-quadruplex structure formed by a human telomeric variant DNA in K+solution.
Chem Sci, 10, 2019
7WP6
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BU of 7wp6 by Molmil
Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK in complex with three neutralizing antibodies
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 36H6 heavy chain, ...
著者Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N.
登録日2022-01-23
公開日2023-03-01
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.81 Å)
主引用文献Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine.
Cell Host Microbe, 30, 2022
7WP8
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BU of 7wp8 by Molmil
Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK1628x in complex with three neutralizing antibodies
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2B4 heavy chain, ...
著者Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N.
登録日2022-01-23
公開日2023-03-08
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine.
Cell Host Microbe, 30, 2022
5Y6G
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BU of 5y6g by Molmil
PilZ domain with c-di-GMP of YcgR from Escherichia coli
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Flagellar brake protein YcgR, SULFATE ION
著者Hou, Y.J, Wang, D.C, Li, D.F.
登録日2017-08-11
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into the mechanism of c-di-GMP-bound YcgR regulating flagellar motility inEscherichia coli.
J.Biol.Chem., 295, 2020
5Y6H
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BU of 5y6h by Molmil
Crystal structure of YcgR-N domain of YcgR from Escherichia coli
分子名称: Flagellar brake protein YcgR
著者Hou, Y.J, Yang, W.S, Wang, D.C, Li, D.F.
登録日2017-08-11
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.774 Å)
主引用文献Structural insights into the mechanism of c-di-GMP-bound YcgR regulating flagellar motility inEscherichia coli.
J.Biol.Chem., 295, 2020
5Y6F
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BU of 5y6f by Molmil
Crystal structure of YcgR in complex with c-di-GMP from Escherichia coli
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Flagellar brake protein YcgR, SULFATE ION
著者Hou, Y.J, Wang, D.C, Li, D.F.
登録日2017-08-11
公開日2018-07-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into the mechanism of c-di-GMP-bound YcgR regulating flagellar motility inEscherichia coli.
J.Biol.Chem., 295, 2020
5Z2L
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BU of 5z2l by Molmil
Crystal structure of BdcA in complex with NADPH
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Cyclic-di-GMP-binding biofilm dispersal mediator protein, ...
著者Yang, W.S, Hou, Y.J, Li, D.F, Wang, D.C.
登録日2018-01-03
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A potential substrate binding pocket of BdcA plays a critical role in NADPH recognition and biofilm dispersal
Biochem. Biophys. Res. Commun., 497, 2018
6AG0
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BU of 6ag0 by Molmil
The X-ray Crystallographic Structure of Maltooligosaccharide-forming Amylase from Bacillus stearothermophilus STB04
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-amylase, CALCIUM ION
著者Li, Z.F, Li, Y.L, Ban, X.F, Zhang, C.Y, Jin, T.C, Xie, X.F, Gu, Z.B, Li, C.M.
登録日2018-08-09
公開日2018-10-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a maltooligosaccharide-forming amylase from Bacillus stearothermophilus STB04.
Int.J.Biol.Macromol., 138, 2019
2XIR
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BU of 2xir by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with PF- 00337210 (N,2-dimethyl-6-(7-(2-morpholinoethoxy)quinolin-4-yloxy) benzofuran-3-carboxamide)
分子名称: N,2-DIMETHYL-6-{[7-(2-MORPHOLIN-4-YLETHOXY)QUINOLIN-4-YL]OXY}-1-BENZOFURAN-3-CARBOXAMIDE, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
著者McTigue, M, Wickersham, J, Pinko, C, Hong, Y, Marrone, T.
登録日2010-06-30
公開日2011-04-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of the Selective Vegfr Inhibitor Pf- 00337210
To be Published
7CZJ
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BU of 7czj by Molmil
The Crystal Structure of Family 20 CBM of Maltotetraose-forming Amylase from Pseudomonas Saccharophila STB07
分子名称: Glucan 1,4-alpha-maltotetraohydrolase, SULFATE ION
著者Li, Z.F, Ban, X.F, Zhang, Z.Q, Li, C.M.
登録日2020-09-08
公開日2021-09-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.495 Å)
主引用文献The Crystal Structure of Family 20 CBM of Maltotetraose-forming Amylase from Pseudomonas Saccharophila STB07
To Be Published
7EBK
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BU of 7ebk by Molmil
Mouse Trim66 PHD-Bromo dual domain complexed with the H3(1-24)K9me3K18ac peptide
分子名称: H3K9me3K18ac, Tripartite motif-containing protein 66, ZINC ION
著者Wang, Z, Jiang, J.
登録日2021-03-09
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献A TRIM66/DAX1/Dux axis suppresses the totipotent 2-cell-like state in murine embryonic stem cells.
Cell Stem Cell, 29, 2022
7EBJ
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BU of 7ebj by Molmil
Apo structure of the mouse Trim66 PHD-Bromo dual domain
分子名称: Tripartite motif-containing protein 66, ZINC ION
著者Wang, Z, Jiang, J.
登録日2021-03-09
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A TRIM66/DAX1/Dux axis suppresses the totipotent 2-cell-like state in murine embryonic stem cells.
Cell Stem Cell, 29, 2022
7JVE
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BU of 7jve by Molmil
Crystal structure of Salmonella enterica Typhimurium BcfH
分子名称: 1,2-ETHANEDIOL, DsbA family protein, MAGNESIUM ION, ...
著者Subedi, P, Heras, B, Hor, L, Paxman, J.J.
登録日2020-08-21
公開日2021-04-21
最終更新日2021-06-23
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Salmonella enterica BcfH Is a Trimeric Thioredoxin-Like Bifunctional Enzyme with Both Thiol Oxidase and Disulfide Isomerase Activities.
Antioxid.Redox Signal., 35, 2021
7EAV
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BU of 7eav by Molmil
The X-ray crystallographic structure of glycogen debranching enzyme from Sulfolobus solfataricus STB09
分子名称: Glycogen debranching enzyme
著者Li, Z.F, Ban, X.F, Tian, Y.X, Li, C.M, Cheng, L, Hong, Y, Gu, Z.B.
登録日2021-03-08
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献The X-ray Crystallographic Structure of Debranching Enzyme from Sulfolobus solfataricus STB09
To Be Published
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件を2024-05-15に公開中

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