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7UFJ
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BU of 7ufj by Molmil
Structure of human MR1-ethylvanillin in complex with human MAIT A-F7 TCR
分子名称: 3-ethoxy-4-hydroxybenzaldehyde, ACETATE ION, Beta-2-microglobulin, ...
著者Wang, C.J, Rossjohn, J, Le Nours, J.
登録日2022-03-22
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Quantitative affinity measurement of small molecule ligand binding to Major Histocompatibility Complex class-I related protein 1 MR1.
J.Biol.Chem., 298, 2022
7X5L
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BU of 7x5l by Molmil
Tir-dsDNA complex, the initial binding state
分子名称: DNA (5'-D(*AP*TP*AP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*TP*AP*AP*TP*TP*AP*A)-3'), Flax rust resistance protein
著者Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J.
登録日2022-03-04
公開日2022-06-01
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
7X5M
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BU of 7x5m by Molmil
Tir-dsDNA complex, the initial binding state
分子名称: 2',3'- cyclic AMP, DNA (5'-D(P*AP*TP*TP*AP*A)-3'), DNA (5'-D(P*AP*TP*TP*TP*A)-3'), ...
著者Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J.
登録日2022-03-05
公開日2022-06-01
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
7X5K
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BU of 7x5k by Molmil
Tir-dsDNA complex, the initial binding state
分子名称: DNA (43-MER), Flax rust resistance protein
著者Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J.
登録日2022-03-04
公開日2022-06-08
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
7XBB
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BU of 7xbb by Molmil
Crystal structure of PDE4D catalytic domain complexed with compound 23a
分子名称: (2~{R},4~{S})-6-ethyl-2-[(2~{E})-2-hydroxyiminoethyl]-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ...
著者Huang, Y.-Y, Luo, H.-B.
登録日2022-03-21
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.100009 Å)
主引用文献Structure-based optimization of Toddacoumalone as highly potent and selective PDE4 inhibitors with anti-inflammatory effects.
Biochem Pharmacol, 202, 2022
7W4Y
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BU of 7w4y by Molmil
Crystal structure of PDE4D catalytic domain complexed with 33a
分子名称: (2R,4S)-6-ethyl-2-(2-hydroxyethyl)-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one, MAGNESIUM ION, ZINC ION, ...
著者Huang, Y.-Y, Luo, H.-B.
登録日2021-11-29
公開日2022-03-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.10002947 Å)
主引用文献Discovery and Structural Optimization of Toddacoumalone Derivatives as Novel PDE4 Inhibitors for the Topical Treatment of Psoriasis.
J.Med.Chem., 65, 2022
7W4X
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BU of 7w4x by Molmil
Crystal structure of PDE4D catalytic domain complexed with 17
分子名称: (2R,4S)-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one, MAGNESIUM ION, ZINC ION, ...
著者Huang, Y.-Y, Luo, H.-B.
登録日2021-11-29
公開日2022-03-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.20007324 Å)
主引用文献Discovery and Structural Optimization of Toddacoumalone Derivatives as Novel PDE4 Inhibitors for the Topical Treatment of Psoriasis.
J.Med.Chem., 65, 2022
5Y09
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BU of 5y09 by Molmil
Crystal structure of Deg9 at 295 K
分子名称: Protease Do-like 9
著者Ouyang, M, Li, X.Y, Liu, L, Zhang, L.X.
登録日2017-07-15
公開日2017-10-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.449 Å)
主引用文献Crystal structure of Deg9 at 295 K
To Be Published
8GQP
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BU of 8gqp by Molmil
Complex of D-protein binder D-19437 and L-target L-Pep-1
分子名称: D-binder, L-pep1
著者Liang, M.F, Li, S.C, Wang, T.Y, Liu, L, Lu, P.L.
登録日2022-08-30
公開日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of D-protein binder D-19437 and L-target L-Pep-1
To Be Published
6OKO
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BU of 6oko by Molmil
Crystal structure of mRIPK3 complexed with N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
分子名称: 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 3
著者Pokross, M.E.
登録日2019-04-14
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of RIPK3 Type II Inhibitors Using High-Throughput Mechanistic Studies in Hit Triage.
Acs Med.Chem.Lett., 11, 2020

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件を2024-07-31に公開中

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