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6J11
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BU of 6j11 by Molmil
MERS-CoV spike N-terminal domain and 7D10 scFv complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-terminal domain of Spike glycoprotein, ...
Authors:Zhou, H, Zhang, S, Zhang, S, Tang, W, Wang, X.
Deposit date:2018-12-27
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural definition of a neutralization epitope on the N-terminal domain of MERS-CoV spike glycoprotein.
Nat Commun, 10, 2019
7CBQ
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BU of 7cbq by Molmil
Crystal structure of PDE4D catalytic domain in complex with Apremilast
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide, ...
Authors:Zhang, X.L, Xu, Y.C.
Deposit date:2020-06-13
Release date:2021-01-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment.
Eur.J.Med.Chem., 211, 2021
7CBJ
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BU of 7cbj by Molmil
Crystal structure of PDE4D catalytic domain in complex with compound 36
Descriptor: (1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Xu, Y.C.
Deposit date:2020-06-12
Release date:2021-06-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment.
Eur.J.Med.Chem., 211, 2021
7DZE
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BU of 7dze by Molmil
Fabp ground state captured by XFELs
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZH
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BU of 7dzh by Molmil
intermediate of FABP with a delay time of 100 ns
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZF
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BU of 7dzf by Molmil
Intermediate of FABP with a delay time of 10 ns
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZG
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BU of 7dzg by Molmil
Intermediate of FABP with a delay time of 30 ns
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZI
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BU of 7dzi by Molmil
intermediate of FABP with a delay time of 300 ns
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZJ
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BU of 7dzj by Molmil
Fabp protein before hv
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZK
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BU of 7dzk by Molmil
Fabp protein after hv
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZL
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BU of 7dzl by Molmil
A69C-M71L mutant of Fabp protein
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7FCZ
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BU of 7fcz by Molmil
Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor
Descriptor: N-[(3S)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1
Authors:Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
Deposit date:2021-07-15
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis.
Angew.Chem.Int.Ed.Engl., 61, 2022
7FD0
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BU of 7fd0 by Molmil
Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor
Descriptor: N-[(3S)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1
Authors:Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
Deposit date:2021-07-15
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis.
Angew.Chem.Int.Ed.Engl., 61, 2022

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