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1IDE
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BU of 1ide by Molmil
ISOCITRATE DEHYDROGENASE Y160F MUTANT STEADY-STATE INTERMEDIATE COMPLEX (LAUE DETERMINATION)
Descriptor: ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION, ...
Authors:Bolduc, J.M, Dyer, D.H, Scott, W.G, Singer, P, Sweet, R.M, Koshland Junior, D.E, Stoddard, B.L.
Deposit date:1995-01-18
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
1IDC
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BU of 1idc by Molmil
ISOCITRATE DEHYDROGENASE FROM E.COLI (MUTANT K230M), STEADY-STATE INTERMEDIATE COMPLEX DETERMINED BY LAUE CRYSTALLOGRAPHY
Descriptor: 2-OXALOSUCCINIC ACID, ISOCITRATE DEHYDROGENASE, MAGNESIUM ION
Authors:Bolduc, J.M, Dyer, D.H, Scott, W.G, Singer, P, Sweet, R.M, Koshland Junior, D.E, Stoddard, B.L.
Deposit date:1995-01-18
Release date:1996-03-08
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
1IDF
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BU of 1idf by Molmil
ISOCITRATE DEHYDROGENASE K230M MUTANT APO ENZYME
Descriptor: ISOCITRATE DEHYDROGENASE
Authors:Bolduc, J.M, Dyer, D.H, Scott, W.G, Singer, P, Sweet, R.M, Koshland Junior, D.E, Stoddard, B.L.
Deposit date:1995-01-18
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
9MH9
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BU of 9mh9 by Molmil
CryoEM structure of G protein-gated inwardly rectifying potassium channel 2 R92F (State 1)
Descriptor: G protein-activated inward rectifier potassium channel 2
Authors:Nguyen, H, Mount, J, Yuan, P, Slesinger, P.
Deposit date:2024-12-11
Release date:2025-12-10
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Key residue Unlocks Dual PIP2-Dependent and Independent Gating in G Protein-Gated Inwardly Rectifying Potassium Channels
To Be Published
9MH8
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BU of 9mh8 by Molmil
CryoEM structure of G protein-gated inwardly rectifying potassium channel GIRK2 R92F (State 2)
Descriptor: G protein-activated inward rectifier potassium channel 2
Authors:Nguyen, H, Mount, J, Yuan, P, Slesinger, P.
Deposit date:2024-12-11
Release date:2025-12-10
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Key residue Unlocks Dual PIP2-Dependent and Independent Gating in G Protein-Gated Inwardly Rectifying Potassium Channels
To Be Published
1IDD
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BU of 1idd by Molmil
ISOCITRATE DEHYDROGENASE Y160F MUTANT APO ENZYME
Descriptor: ISOCITRATE DEHYDROGENASE
Authors:Lee, M.E, Dyer, D.H, Klein, O.D, Bolduc, J.M, Stoddard, B.L, Koshland Junior, D.E.
Deposit date:1995-01-18
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
7U92
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BU of 7u92 by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with ML1006a
Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CHLORIDE ION
Authors:Westberg, M, Fernandez, D, Lin, M.Z.
Deposit date:2022-03-09
Release date:2023-09-06
Last modified:2026-03-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
7UUG
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BU of 7uug by Molmil
SARS-CoV-2 Main Protease S144A (Mpro S144A) in Complex with ML1006a
Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION
Authors:Westberg, M, Fernandez, D, Lin, M.Z.
Deposit date:2022-04-28
Release date:2023-10-11
Last modified:2026-03-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
7UUP
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BU of 7uup by Molmil
SARS-CoV-2 Main Protease S144A (Mpro S144A) in Complex with Nirmatrelvir (PF-07321332)
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION
Authors:Westberg, M, Fernandez, D, Lin, M.Z.
Deposit date:2022-04-28
Release date:2023-10-11
Last modified:2026-03-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
8EZV
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BU of 8ezv by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with ML2006a
Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Westberg, M, Fernandez, D, Lin, M.Z.
Deposit date:2022-11-01
Release date:2023-10-11
Last modified:2026-03-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
8EZZ
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BU of 8ezz by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with ML2006a2
Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION
Authors:Westberg, M, Fernandez, D, Lin, M.Z.
Deposit date:2022-11-01
Release date:2023-10-11
Last modified:2026-03-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
8F2D
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BU of 8f2d by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with ML4006a
Descriptor: (1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION
Authors:Westberg, M, Fernandez, D, Lin, M.Z.
Deposit date:2022-11-07
Release date:2023-10-11
Last modified:2026-03-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
8F02
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BU of 8f02 by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with ML2006a4
Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-(3,3-dimethylazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Westberg, M, Fernandez, D, Lin, M.Z.
Deposit date:2022-11-01
Release date:2023-10-11
Last modified:2026-03-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
8F2C
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BU of 8f2c by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with ML3006a
Descriptor: (1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION
Authors:Westberg, M, Fernandez, D, Lin, M.Z.
Deposit date:2022-11-07
Release date:2023-10-11
Last modified:2026-03-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
7SF3
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BU of 7sf3 by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with ML1006m
Descriptor: (1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CHLORIDE ION
Authors:Westberg, M, Fernandez, D, Lin, M.Z.
Deposit date:2021-10-02
Release date:2022-10-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
7SET
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BU of 7set by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with ML1000
Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CHLORIDE ION
Authors:Westberg, M, Fernandez, D, Lin, M.Z.
Deposit date:2021-10-01
Release date:2022-10-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
7SF1
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BU of 7sf1 by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with ML1001
Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Westberg, M, Fernandez, D, Lin, M.Z.
Deposit date:2021-10-02
Release date:2022-10-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024

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