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5LBT
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BU of 5lbt by Molmil
Structure of the human quinone reductase 2 (NQO2) in complex with imiquimod
分子名称: 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Schneider, S, Gross, O.
登録日2016-06-17
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Imiquimod Inhibits Mitochondrial Complex I and Induces K+ efflux-independent Nlrp3 Inflammasome Activation via Nek7
To Be Published
5LBU
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BU of 5lbu by Molmil
Structure of the human quinone reductase 2 (NQO2) in complex with to CL097
分子名称: 2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Schneider, S, Gross, O.
登録日2016-06-17
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Imiquimod Inhibits Mitochondrial Complex I and Induces K+ efflux-independent Nlrp3 Inflammasome Activation via Nek7
To Be Published
7AYR
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BU of 7ayr by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B115
分子名称: Dipeptidyl peptidase 8, PHOSPHATE ION, trimethylamine oxide, ...
著者Ross, B.H, Huber, R.
登録日2020-11-13
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 2022
7AYQ
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BU of 7ayq by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B114
分子名称: Dipeptidyl peptidase 8, GLYCEROL, PHOSPHATE ION, ...
著者Ross, B, Huber, R.
登録日2020-11-13
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 2022
6HYH
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BU of 6hyh by Molmil
Crystal structure of MSMEG_1712 from Mycobacterium smegmatis in complex with Beta-D-Fucofuranose
分子名称: Periplasmic binding protein/LacI transcriptional regulator, ZINC ION, beta-D-fucofuranose
著者Li, M, Mueller, C, Zhang, L, Einsle, O, Jessen-Trefzer, C.
登録日2018-10-21
公開日2019-05-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Detection and Characterization of a Mycobacterial L-Arabinofuranose ABC Transporter Identified with a Rapid Lipoproteomics Protocol.
Cell Chem Biol, 26, 2019
6HBD
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BU of 6hbd by Molmil
Crystal structure of MSMEG_1712 from Mycobacterium smegmatis in complex with Beta-D-Galactofuranose
分子名称: ABC transporter periplasmic-binding protein YtfQ, ZINC ION, beta-D-galactofuranose
著者Li, M, Mueller, C, Einsle, O, Jessen-Trefzer, C.
登録日2018-08-10
公開日2019-05-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Detection and Characterization of a Mycobacterial L-Arabinofuranose ABC Transporter Identified with a Rapid Lipoproteomics Protocol.
Cell Chem Biol, 26, 2019
6HBM
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BU of 6hbm by Molmil
Crystal structure of MSMEG_1712 from Mycobacterium smegmatis in complex with alpha-L-arabinofuranose
分子名称: ABC transporter periplasmic-binding protein YtfQ, ZINC ION, alpha-L-arabinofuranose
著者Li, M, Mueller, C, Einsle, O, Jessen-Trefzer, C.
登録日2018-08-10
公開日2019-05-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Detection and Characterization of a Mycobacterial L-Arabinofuranose ABC Transporter Identified with a Rapid Lipoproteomics Protocol.
Cell Chem Biol, 26, 2019
6HB0
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BU of 6hb0 by Molmil
Crystal structure of MSMEG_1712 from Mycobacterium smegmatis
分子名称: ABC transporter periplasmic-binding protein YtfQ, ZINC ION
著者Li, M, Mueller, C, Einsle, O, Jessen-Trefzer, C.
登録日2018-08-09
公開日2019-05-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Detection and Characterization of a Mycobacterial L-Arabinofuranose ABC Transporter Identified with a Rapid Lipoproteomics Protocol.
Cell Chem Biol, 26, 2019
8G1Z
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BU of 8g1z by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz317
分子名称: 1,2-ETHANEDIOL, 4-(acetamidomethyl)-N-hydroxybenzamide, Hdac6 protein, ...
著者Tararina, M.A, Christianson, D.W.
登録日2023-02-03
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
8G20
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BU of 8g20 by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz327
分子名称: 1,2-ETHANEDIOL, 4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide, ETHANOL, ...
著者Tararina, M.A, Christianson, D.W.
登録日2023-02-03
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.766 Å)
主引用文献Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
7ZXS
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BU of 7zxs by Molmil
Crystal structure of DPP9 in complex with a 4-oxo-b-lactam based inhibitor, A295
分子名称: 1,2-ETHANEDIOL, 2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide, DI(HYDROXYETHYL)ETHER, ...
著者Ross, B, Huber, R.
登録日2022-05-22
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 61, 2022
8OWZ
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BU of 8owz by Molmil
Crystal structure of human Sirt2 in complex with a triazole-based SirReal
分子名称: (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide, ...
著者Friedrich, F, Zhang, L, Schiedel, M, Einsle, O, Jung, M.
登録日2023-04-28
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
7OR4
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BU of 7or4 by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B142
分子名称: Dipeptidyl peptidase 8, methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate, trimethylamine oxide
著者Ross, B, Huber, R.
登録日2021-06-04
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 61, 2022
7OZ7
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BU of 7oz7 by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, L84
分子名称: Dipeptidyl peptidase 8, trimethylamine oxide, ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide
著者Ross, B, Huber, R.
登録日2021-06-26
公開日2021-07-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 61, 2022
8PY3
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BU of 8py3 by Molmil
Crystal structure of human Sirt2 in complex with a 1,2,4-oxadiazole based inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-chloranyl-~{N}-[4-[5-[[(3~{S})-1-[(3-fluoranyl-2-methyl-phenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]benzamide, ...
著者Friedrich, F, Colcerasa, A, Einsle, O, Jung, M.
登録日2023-07-24
公開日2024-06-19
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Activity Studies of 1,2,4-Oxadiazoles for the Inhibition of the NAD + -Dependent Lysine Deacylase Sirtuin 2.
J.Med.Chem., 67, 2024
7A3G
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BU of 7a3g by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, 91
分子名称: 1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione, CHLORIDE ION, Dipeptidyl peptidase 8, ...
著者Ross, B.H, Huber, R.
登録日2020-08-18
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 2022
7A3L
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BU of 7a3l by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, A241
分子名称: 2-ethyl-2-methanoyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide, CHLORIDE ION, Dipeptidyl peptidase 8, ...
著者Ross, B.H, Huber, R.
登録日2020-08-18
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 2022
7A3J
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BU of 7a3j by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, A272
分子名称: 2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide, CHLORIDE ION, Dipeptidyl peptidase 8, ...
著者Ross, B.H, Huber, R.
登録日2020-08-18
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 2022
6WKU
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BU of 6wku by Molmil
Twelve Chloride Ions Drive Assembly of Human alpha345 Collagen IV NC1 domain
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, ...
著者Boudko, S.P, Hudson, B.G.
登録日2020-04-17
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Collagen IV alpha 345 dysfunction in glomerular basement membrane diseases. II. Crystal structure of the alpha 345 hexamer.
J.Biol.Chem., 296, 2021

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件を2024-07-24に公開中

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