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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
Descriptor: 3-ethoxy-4-hydroxybenzaldehyde, ACETATE ION, Beta-2-microglobulin, ...
Authors:Wang, C.J, Rossjohn, J, Le Nours, J.
Deposit date:2022-03-22
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 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
Authors:Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J.
Deposit date:2022-03-04
Release date:2022-06-01
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite: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
Descriptor: 2',3'- cyclic AMP, DNA (5'-D(P*AP*TP*TP*AP*A)-3'), DNA (5'-D(P*AP*TP*TP*TP*A)-3'), ...
Authors:Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J.
Deposit date:2022-03-05
Release date:2022-06-01
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite: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
Descriptor: DNA (43-MER), Flax rust resistance protein
Authors:Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J.
Deposit date:2022-03-04
Release date:2022-06-08
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite: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
Descriptor: (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, ...
Authors:Huang, Y.-Y, Luo, H.-B.
Deposit date:2022-03-21
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.100009 Å)
Cite: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
Descriptor: (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, ...
Authors:Huang, Y.-Y, Luo, H.-B.
Deposit date:2021-11-29
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.10002947 Å)
Cite: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
Descriptor: (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, ...
Authors:Huang, Y.-Y, Luo, H.-B.
Deposit date:2021-11-29
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.20007324 Å)
Cite: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
Descriptor: Protease Do-like 9
Authors:Ouyang, M, Li, X.Y, Liu, L, Zhang, L.X.
Deposit date:2017-07-15
Release date:2017-10-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.449 Å)
Cite: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
Descriptor: D-binder, L-pep1
Authors:Liang, M.F, Li, S.C, Wang, T.Y, Liu, L, Lu, P.L.
Deposit date:2022-08-30
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 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
Authors:Pokross, M.E.
Deposit date:2019-04-14
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of RIPK3 Type II Inhibitors Using High-Throughput Mechanistic Studies in Hit Triage.
Acs Med.Chem.Lett., 11, 2020

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