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8ERA
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BU of 8era by Molmil
RMC-5552 in complex with mTORC1 and FKBP12
Descriptor: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
Authors:Tomlinson, A.C.A, Yano, J.K.
Deposit date:2022-10-11
Release date:2022-12-28
Last modified:2023-01-25
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
8G4X
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BU of 8g4x by Molmil
Native GABA-A receptor from the mouse brain, meta-alpha1-alpha3-beta2-gamma2 subtype, in complex with GABA and allopregnanolone
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sun, C, Gouaux, E.
Deposit date:2023-02-10
Release date:2023-09-20
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
8FOI
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BU of 8foi by Molmil
Native GABA-A receptor from the mouse brain, alpha1-beta2-gamma2 subtype, in complex with GABA and allopregnanolone
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, DODECANE, ...
Authors:Sun, C, Gouaux, E.
Deposit date:2022-12-30
Release date:2023-09-20
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
8G5H
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BU of 8g5h by Molmil
Native GABA-A receptor from the mouse brain, ortho-alpha1-alpha3-beta2-gamma2 subtype, in complex with GABA, Zolpidem, and endogenous neurosteroid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, Gamma-aminobutyric acid receptor subunit alpha-1, ...
Authors:Sun, C, Gouaux, E.
Deposit date:2023-02-13
Release date:2023-09-20
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
8G5G
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BU of 8g5g by Molmil
Native GABA-A receptor from the mouse brain, meta-alpha1-alpha3-beta2-gamma2 subtype, in complex with GABA, Zolpidem, and endogenous neurosteroid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, Gamma-aminobutyric acid receptor subunit alpha-1, ...
Authors:Sun, C, Gouaux, E.
Deposit date:2023-02-13
Release date:2023-09-20
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
8G5F
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BU of 8g5f by Molmil
Native GABA-A receptor from the mouse brain, ortho-alpha1-alpha3-beta2-gamma2 subtype, in complex with GABA and allopregnanolone
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, Gamma-aminobutyric acid receptor subunit alpha-1, ...
Authors:Sun, C, Gouaux, E.
Deposit date:2023-02-13
Release date:2023-09-20
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
8G4O
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BU of 8g4o by Molmil
Native GABA-A receptor from the mouse brain, alpha1-beta2-gamma2 subtype, in complex with didesethylflurazepam and endogenous GABA
Descriptor: (5M)-1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ...
Authors:Sun, C, Gouaux, E.
Deposit date:2023-02-10
Release date:2023-09-20
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
3J9I
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BU of 3j9i by Molmil
Thermoplasma acidophilum 20S proteasome
Descriptor: Proteasome subunit alpha, Proteasome subunit beta
Authors:Li, X, Mooney, P, Zheng, S, Booth, C, Braunfeld, M.B, Gubbens, S, Agard, D.A, Cheng, Y.
Deposit date:2015-02-02
Release date:2015-02-18
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Electron counting and beam-induced motion correction enable near-atomic-resolution single-particle cryo-EM.
Nat.Methods, 10, 2013
7S1G
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BU of 7s1g by Molmil
wild-type Escherichia coli stalled ribosome with antibiotic linezolid
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D.
Deposit date:2021-09-02
Release date:2021-11-17
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.48 Å)
Cite:Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics.
Nat.Struct.Mol.Biol., 29, 2022
7S1H
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BU of 7s1h by Molmil
Wild-type Escherichia coli ribosome with antibiotic linezolid
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D.
Deposit date:2021-09-02
Release date:2021-11-17
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.35 Å)
Cite:Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics.
Nat.Struct.Mol.Biol., 29, 2022
7TEH
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BU of 7teh by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2
Descriptor: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2022-01-05
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
7TDU
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BU of 7tdu by Molmil
Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2022-01-03
Release date:2022-03-02
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
Cite:Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
7TUR
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BU of 7tur by Molmil
Joint X-ray/neutron structure of aspastate aminotransferase (AAT) in complex with pyridoxamine 5'-phosphate (PMP)
Descriptor: 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase, ...
Authors:Drago, V.N, Kovalevsky, A.Y, Dajnowicz, S, Mueser, T.C.
Deposit date:2022-02-03
Release date:2022-09-28
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
Cite:An N⋯H⋯N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second half-reaction.
Chem Sci, 13, 2022

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