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6MQU
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BU of 6mqu by Molmil
PL5, synthetic transmembrane domain variant of human phospholamban
Descriptor: PL5, designed TM pentamer
Authors:Mravic, M, Thomaston, J.L, DeGrado, W.F.
Deposit date:2018-10-10
Release date:2019-04-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Packing of apolar side chains enables accurate design of highly stable membrane proteins.
Science, 363, 2019
6JAU
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BU of 6jau by Molmil
The complex structure of Pseudomonas aeruginosa MucA/MucB.
Descriptor: CALCIUM ION, GLYCEROL, HEXAETHYLENE GLYCOL, ...
Authors:Li, T, He, L.H, Li, C.C, Liu, L, Peng, C.T, Shen, Y.L, Qin, X.F, Xiao, Q.J, Zhu, Y.B, Song, Y.J, Zhao, N.l, Zhao, C, Yang, J, Mu, X.Y, Huang, Q, Bao, R.
Deposit date:2019-01-25
Release date:2020-01-29
Last modified:2020-08-19
Method:X-RAY DIFFRACTION (1.905 Å)
Cite:Molecular basis of the lipid-induced MucA-MucB dissociation in Pseudomonas aeruginosa.
Commun Biol, 3, 2020
7VU8
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BU of 7vu8 by Molmil
L7-Tir domain with bound ligand
Descriptor: 2',3'- cyclic AMP, Flax rust resistance protein
Authors:Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J.
Deposit date:2021-11-01
Release date:2022-06-01
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3 Å)
Cite:TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 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
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
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
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
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
7XY4
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BU of 7xy4 by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with VHH21
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VHH21
Authors:Cao, D, Fan, X, Zhang, X.
Deposit date:2022-05-31
Release date:2023-09-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Identification of nano-abzymes to catalyze the spike-trimer of SARS-CoV-2
To Be Published
7XY3
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BU of 7xy3 by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with VHH14
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VHH14
Authors:Cao, D, Fan, X, Zhang, X.
Deposit date:2022-05-31
Release date:2023-09-13
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Identification of nano-abzymes to catalyze the spike-trimer of SARS-CoV-2
To Be Published
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
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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