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8A4T
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BU of 8a4t by Molmil
crystal structures of diastereomer (S,S,S)-13b (13b-K) in complex with the SARS-CoV-2 Mpro
Descriptor: 3C-like proteinase nsp5, CHLORIDE ION, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Authors:Ibrahim, M, Hilgenfeld, R, Zhang, L.
Deposit date:2022-06-13
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease.
J.Med.Chem., 65, 2022
8A4Q
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BU of 8a4q by Molmil
crystal structures of diastereomer (R,S,S)-13b (13b-H) in complex with the SARS-CoV-2 Mpro.
Descriptor: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Ibrahim, M, Hilgenfeld, R, Zhang, L.
Deposit date:2022-06-13
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease.
J.Med.Chem., 65, 2022
8A6M
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BU of 8a6m by Molmil
Phosphatidylserine-dependent synaptic vesicle membrane sculpting by synaptogyrin
Descriptor: Isoform 1B of Synaptogyrin-1
Authors:Yu, T.K, Eastep, G.N, Flores, D, Zweckstetter, M.
Deposit date:2022-06-18
Release date:2023-05-24
Last modified:2023-07-26
Method:SOLUTION NMR
Cite:Phosphatidylserine-dependent structure of synaptogyrin remodels the synaptic vesicle membrane.
Nat.Struct.Mol.Biol., 30, 2023
1GIB
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BU of 1gib by Molmil
MU-CONOTOXIN GIIIB, NMR
Descriptor: MU-CONOTOXIN GIIIB
Authors:Hill, J.M, Alewood, P.F, Craik, D.J.
Deposit date:1996-04-17
Release date:1996-11-08
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of mu-conotoxin GIIIB, a specific blocker of skeletal muscle sodium channels.
Biochemistry, 35, 1996
2LNY
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BU of 2lny by Molmil
ShB peptide structure bound to negatively charged lipid-bilayer after Molecular Dynamics refinement
Descriptor: ShB peptide
Authors:Weingarth, M.
Deposit date:2012-01-06
Release date:2012-08-08
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Supramolecular structure of membrane-associated polypeptides by combining solid-state NMR and molecular dynamics simulations.
Biophys.J., 103, 2012

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