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5A6N
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BU of 5a6n by Molmil
Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with compound 2
分子名称: 5-(3-SULFAMOYLPHENYL)-1H-1,2,3,4-TETRAZOL-1-IDE, DEATH-ASSOCIATED PROTEIN KINASE 3, GLYCEROL, ...
著者Rodrigues, T, Reker, D, Welin, M, Caldera, M, Brunner, C, Gabernet, G, Schneider, P, Walse, B, Schneider, G.
登録日2015-06-30
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献De Novo Fragment Design for Drug Discovery and Chemical Biology.
Angew.Chem.Int.Ed.Engl., 54, 2015
5A6O
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BU of 5a6o by Molmil
Crystal structure of the apo form of the unphosphorylated human death associated protein kinase 3 (DAPK3)
分子名称: DEATH-ASSOCIATED PROTEIN KINASE 3, GLYCEROL, S-1,2-PROPANEDIOL
著者Rodrigues, T, Reker, D, Welin, M, Caldera, M, Brunner, C, Gabernet, G, Schneider, P, Walse, B, Schneider, G.
登録日2015-06-30
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献De Novo Fragment Design for Drug Discovery and Chemical Biology.
Angew.Chem.Int.Ed.Engl., 54, 2015
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
6WKN
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BU of 6wkn by Molmil
PL-bound rat TRPV2 in nanodiscs
分子名称: Transient receptor potential cation channel subfamily V member 2, piperlongumine
著者Pumroy, R.P, Moiseenkova-Bell, V.Y.
登録日2020-04-16
公開日2021-04-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Allosteric Antagonist Modulation of TRPV2 by Piperlongumine Impairs Glioblastoma Progression.
Acs Cent.Sci., 7, 2021
6I99
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BU of 6i99 by Molmil
Bone Marrow Tyrosine Kinase in Chromosome X in complex with a newly designed covalent inhibitor JS24
分子名称: Cytoplasmic tyrosine-protein kinase BMX, ~{N}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide
著者Sousa, B.B, Matias, P.M, Marques, M.C, Seixas, J.D, Bernardes, G.J.L.
登録日2018-11-22
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural and biophysical insights into the mode of covalent binding of rationally designed potent BMX inhibitors
Chem.Biol., 2020
7A3F
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BU of 7a3f by Molmil
Crystal structure of apo DPP9
分子名称: Dipeptidyl peptidase 9, GLYCEROL, PHOSPHATE ION
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 (2.9 Å)
主引用文献Discovery and Development of 4-Oxo-beta-Lactams as Novel Inhibitors of Dipeptidyl Peptidases 8 and 9
To Be Published
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
7A3I
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BU of 7a3i by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, LMC375
分子名称: CHLORIDE ION, Dipeptidyl peptidase 8, SODIUM ION, ...
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Discovery and Development of 4-Oxo-beta-Lactams as Novel Inhibitors of Dipeptidyl Peptidases 8 and 9
To Be Published
7A3K
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BU of 7a3k by Molmil
Crystal structure of DPP8 in complex with a b-lactam based inhibitor, A296.1
分子名称: 1-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]azetidin-2-one, CHLORIDE ION, Dipeptidyl peptidase 8, ...
著者Ross, B.H, Huber, R.
登録日2020-08-18
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery and Development of 4-Oxo-beta-Lactams as Novel Inhibitors of Dipeptidyl Peptidases 8 and 9
To Be Published
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
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

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