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8X0T
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BU of 8x0t by Molmil
Frizzled8 CRD in complex with pF8_AC3 Fab
分子名称: Frizzled-8, pF8_AC3 Heavy chain, pF8_AC3 Light chain
著者Li, N, Ge, Q.
登録日2023-11-06
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification and functional validation of FZD8-specific antibodies.
Int J Biol Macromol, 254, 2023
1V1I
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BU of 1v1i by Molmil
Adenovirus fibre shaft sequence N-terminally fused to the bacteriophage T4 fibritin foldon trimerisation motif with a long linker
分子名称: FIBRITIN, FIBER PROTEIN
著者Papanikolopoulou, K, Teixeira, S, Belrhali, H, Forsyth, V.T, Mitraki, A, van Raaij, M.J.
登録日2004-04-16
公開日2004-07-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Adenovirus Fibre Shaft Sequences Fold Into the Native Triple Beta-Spiral Fold When N-Terminally Fused to the Bacteriophage T4 Fibritin Foldon Trimerisation Motif
J.Mol.Biol., 342, 2004
1V1H
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BU of 1v1h by Molmil
Adenovirus fibre shaft sequence N-terminally fused to the bacteriophage T4 fibritin foldon trimerisation motif with a short linker
分子名称: FIBRITIN, FIBER PROTEIN
著者Papanikolopoulou, K, Teixeira, S, Belrhali, H, Forsyth, V.T, Mitraki, A, van Raaij, M.J.
登録日2004-04-16
公開日2004-07-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Adenovirus Fibre Shaft Sequences Fold Into the Native Triple Beta-Spiral Fold When N-Terminally Fused to the Bacteriophage T4 Fibritin Foldon Trimerisation Motif
J.Mol.Biol., 342, 2004
6SGF
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BU of 6sgf by Molmil
Molecular insight into a new low affinity xylan binding module CBM86, from the xylanolytic gut symbiont Roseburia intestinalis.
分子名称: Beta-xylanase, CADMIUM ION, CHLORIDE ION, ...
著者Ejby, M, Abou Hachem, M, Leth, M.L, Guskov, A, Slotboom, D.
登録日2019-08-04
公開日2019-11-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.756 Å)
主引用文献Molecular insight into a new low-affinity xylan binding module from the xylanolytic gut symbiont Roseburia intestinalis.
Febs J., 287, 2020
7X56
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BU of 7x56 by Molmil
A CBg-ParM filament with ADP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ParM/StbA family protein
著者Koh, A, Ali, S, Robinson, R, Narita, A.
登録日2022-03-04
公開日2023-03-08
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献A new actin-like filament from Clostridium botulinum exhibits a new system of filament turn over
To Be Published
7X59
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BU of 7x59 by Molmil
A CBg-ParM filament with GTP or GDPPi
分子名称: GUANOSINE-5'-TRIPHOSPHATE, ParM/StbA family protein
著者Koh, A, Ali, S, Robinson, R, Narita, A.
登録日2022-03-04
公開日2023-03-08
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (6.5 Å)
主引用文献A new actin-like filament from Clostridium botulinum exhibits a new system of filament turn over
To Be Published
7X55
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BU of 7x55 by Molmil
A CBg-ParM filament with GTP and a short incubation time
分子名称: GUANOSINE-5'-TRIPHOSPHATE, ParM/StbA family protein
著者Koh, A, Ali, S, Robinson, R, Narita, A.
登録日2022-03-04
公開日2023-03-08
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (8.6 Å)
主引用文献A new actin-like filament from Clostridium botulinum exhibits a new system of filament turn over
To Be Published
7X54
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BU of 7x54 by Molmil
A CBg-ParM filament with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ParM/StbA family protein
著者Koh, A, Ali, S, Robinson, R, Narita, A.
登録日2022-03-04
公開日2023-03-08
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献A new actin-like filament from Clostridium botulinum exhibits a new system of filament turn over
To Be Published
7VU6
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BU of 7vu6 by Molmil
The crystal structure of SARS-CoV-2 3CL protease in complex with compound 3
分子名称: 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者Yamamoto, S, Yamane, J, Tachibana, Y.
登録日2021-11-01
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19.
J.Med.Chem., 65, 2022
7VTH
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BU of 7vth by Molmil
The crystal structure of SARS-CoV-2 3CL protease in complex with compound 1
分子名称: 2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide, 3C-like proteinase
著者Yamamoto, S, Tachibana, Y.
登録日2021-10-29
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19.
J.Med.Chem., 65, 2022
8ZM1
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BU of 8zm1 by Molmil
Structure of human pyruvate dehydrogenase kinase 2 complexed with compound 6
分子名称: (5~{R})-5-propan-2-ylindeno[1,2-b]pyridin-5-ol, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
著者Akai, S, Orita, T, Nomura, A, Adachi, T.
登録日2024-05-22
公開日2024-06-19
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Design and synthesis of novel fluorene derivatives as inhibitors of pyruvate dehydrogenase kinase.
Bioorg.Med.Chem.Lett., 109, 2024
8ZM2
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BU of 8zm2 by Molmil
Structure of human pyruvate dehydrogenase kinase 2 complexed with compound 16
分子名称: [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial, methyl (9~{R})-9-oxidanyl-9-(trifluoromethyl)fluorene-4-carboxylate
著者Akai, S, Orita, T, Nomura, A, Adachi, T.
登録日2024-05-22
公開日2024-06-19
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Design and synthesis of novel fluorene derivatives as inhibitors of pyruvate dehydrogenase kinase.
Bioorg.Med.Chem.Lett., 109, 2024
2RV9
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BU of 2rv9 by Molmil
Solution structure of chitosan-binding module 1 derived from chitosanase/glucanase from Paenibacillus sp. IK-5
分子名称: Glucanase
著者Shinya, S, Nishimura, S, Fukamizo, T.
登録日2015-05-12
公開日2016-04-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Mechanism of chitosan recognition by CBM32 carbohydrate-binding modules from a Paenibacillus sp. IK-5 chitosanase/glucanase.
Biochem.J., 473, 2016
2RVA
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BU of 2rva by Molmil
Solution structure of chitosan-binding module 2 derived from chitosanase/glucanase from Paenibacillus sp. IK-5
分子名称: Glucanase
著者Shinya, S, Nishimura, S, Fukamizo, T.
登録日2015-05-13
公開日2016-04-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Mechanism of chitosan recognition by CBM32 carbohydrate-binding modules from a Paenibacillus sp. IK-5 chitosanase/glucanase.
Biochem.J., 473, 2016
7DV6
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BU of 7dv6 by Molmil
Discovery of Functionally Selective Transforming Growth Factor beta Type II Receptor (TGF-beta RII) Inhibitors as Anti-Fibrosis Agents
分子名称: 5-[(3S)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine, TGF-beta receptor type-2
著者Nishihata, J, Nomura, A, Miwa, S, Doi, S, Adachi, T.
登録日2021-01-12
公開日2021-06-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Discovery of Selective Transforming Growth Factor beta Type II Receptor Inhibitors as Antifibrosis Agents.
Acs Med.Chem.Lett., 12, 2021
3VJS
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BU of 3vjs by Molmil
Vitamin D receptor complex with a carborane compound
分子名称: 1-(2-[(S)-2,4-Dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane, Vitamin D3 receptor, peptide from Mediator of RNA polymerase II transcription subunit 1
著者Fujii, S, Masuno, M, Kagechika, H, Nakabayashi, M, Ito, N.
登録日2011-10-31
公開日2012-02-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Boron Cluster-based Development of Potent Nonsecosteroidal Vitamin D Receptor Ligands: Direct Observation of Hydrophobic Interaction between Protein Surface and Carborane
J.Am.Chem.Soc., 133, 2011
3VJT
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BU of 3vjt by Molmil
Vitamin D receptor complex with a carborane compound
分子名称: 1-(2-[(R)-2,4-Dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane, Vitamin D3 receptor, peptide from Mediator of RNA polymerase II transcription subunit 1
著者Fujii, S, Masuno, M, Kagechika, H, Nakabayashi, M, Ito, N.
登録日2011-10-31
公開日2012-02-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Boron Cluster-based Development of Potent Nonsecosteroidal Vitamin D Receptor Ligands: Direct Observation of Hydrophobic Interaction between Protein Surface and Carborane
J.Am.Chem.Soc., 133, 2011
7D83
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BU of 7d83 by Molmil
Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-(2-(3-cyclohexylureido)-3,6-dimethyl-5-(5-methylchroman-6-yl)pyridin-4-yl)acetic acid
分子名称: (2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION
著者Sugiyama, S, Sekiguchi, Y.
登録日2020-10-07
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discovery of novel HIV-1 integrase-LEDGF/p75 allosteric inhibitors based on a pyridine scaffold forming an intramolecular hydrogen bond.
Bioorg.Med.Chem.Lett., 33, 2020

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件を2024-10-09に公開中

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