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7UJU
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Room-temperature X-ray structure of monomeric SARS-CoV-2 main protease catalytic domain (MPro1-196) in complex with nirmatrelvir
分子名称: (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
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2022-03-31
公開日2022-10-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Autoprocessing and oxyanion loop reorganization upon GC373 and nirmatrelvir binding of monomeric SARS-CoV-2 main protease catalytic domain.
Commun Biol, 5, 2022
7UJ9
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BU of 7uj9 by Molmil
Room-temperature X-ray structure of monomeric SARS-CoV-2 main protease catalytic domain (MPro1-199)
分子名称: 3C-like proteinase nsp5
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2022-03-30
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Autoprocessing and oxyanion loop reorganization upon GC373 and nirmatrelvir binding of monomeric SARS-CoV-2 main protease catalytic domain.
Commun Biol, 5, 2022
7UJG
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BU of 7ujg by Molmil
Room-temperature X-ray structure of monomeric SARS-CoV-2 main protease catalytic domain (MPro1-196) in complex with GC-376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2022-03-30
公開日2022-10-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Autoprocessing and oxyanion loop reorganization upon GC373 and nirmatrelvir binding of monomeric SARS-CoV-2 main protease catalytic domain.
Commun Biol, 5, 2022
7W4K
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BU of 7w4k by Molmil
Deactive state CI from Q1-NADH dataset, Subclass 2
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Gu, J, Yang, M.
登録日2021-11-28
公開日2023-01-25
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
7W4Q
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BU of 7w4q by Molmil
Deactive state CI from Q1-NADH dataset, Subclass 6
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Gu, J, Yang, M.
登録日2021-11-28
公開日2023-01-25
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
7W4J
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BU of 7w4j by Molmil
Deactive state CI from Q1-NADH dataset, Subclass 1
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Gu, J, Yang, M.
登録日2021-11-28
公開日2023-01-25
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
7W32
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Deactive state CI from DQ-NADH dataset, Subclass 2
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-24
公開日2023-02-01
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
7W2U
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BU of 7w2u by Molmil
Active state CI from DQ-NADH dataset, Subclass 2
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-24
公開日2023-02-01
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
7WR9
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BU of 7wr9 by Molmil
Local CryoEM structure of the SARS-CoV S2P in complex with BD55-3152 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-3152H, BD55-3152L, ...
著者Du, S, Xiao, J.Y.
登録日2022-01-26
公開日2023-02-01
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Local CryoEM structure of the SARS-CoV S2P in complex with BD55-3152 Fab
To Be Published
7W1T
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BU of 7w1t by Molmil
Active state CI from Rotenone dataset, Subclass 1
分子名称: (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-20
公開日2023-01-18
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
7W31
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BU of 7w31 by Molmil
Deactive state CI from DQ-NADH dataset, Subclass 1
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-24
公開日2023-02-01
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
7W2L
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BU of 7w2l by Molmil
Deactive state CI from Rotenone-NADH dataset, Subclass 2
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-24
公開日2023-02-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
7W4D
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BU of 7w4d by Molmil
Active state CI from Q1-NADH dataset, Subclass 2
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-27
公開日2023-02-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
7W1Y
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BU of 7w1y by Molmil
Human MCM double hexamer bound to natural DNA duplex (polyAT/polyTA)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (49-MER), ...
著者Li, J, Dong, J, Dang, S, Zhai, Y.
登録日2021-11-21
公開日2023-02-08
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.59 Å)
主引用文献The human pre-replication complex is an open complex.
Cell, 186, 2023
7W2R
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BU of 7w2r by Molmil
Active state CI from DQ-NADH dataset, Subclass 1
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-24
公開日2023-02-01
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
7W35
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BU of 7w35 by Molmil
Deactive state CI from DQ-NADH dataset, Subclass 3
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-25
公開日2023-02-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
7W4E
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BU of 7w4e by Molmil
Active state CI from Q1-NADH dataset, Subclass 3
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-27
公開日2023-02-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
7W1U
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BU of 7w1u by Molmil
Active state CI from Rotenone dataset, Subclass 2
分子名称: (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-20
公開日2023-01-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
7W2Y
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BU of 7w2y by Molmil
Active state CI from DQ-NADH dataset, Subclass 3
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-24
公開日2023-02-01
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
7W0Y
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BU of 7w0y by Molmil
Active state CI from Q10-NADH dataset, Subclass 2
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-18
公開日2023-03-22
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
7W4C
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BU of 7w4c by Molmil
Active state CI from Q1-NADH dataset, Subclass 1
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-27
公開日2023-02-01
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
1APM
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BU of 1apm by Molmil
2.0 ANGSTROM REFINED CRYSTAL STRUCTURE OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH A PEPTIDE INHIBITOR AND DETERGENT
分子名称: N-OCTANE, PEPTIDE INHIBITOR PKI(5-24), cAMP-DEPENDENT PROTEIN KINASE
著者Knighton, D.R, Bell, S.M, Zheng, J, Teneyck, L.F, Xuong, N.-H, Taylor, S.S, Sowadski, J.M.
登録日1993-01-18
公開日1993-04-15
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献2.0 A refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with a peptide inhibitor and detergent.
Acta Crystallogr.,Sect.D, 49, 1993
7WCU
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BU of 7wcu by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P(B.1.617.2) in complex with SWC11 Fab
分子名称: SWC11H, SWC11L, Surface glycoprotein
著者Du, S, Xiao, J.Y.
登録日2021-12-20
公開日2022-12-28
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Local CryoEM structure of the SARS-CoV-2 S6P(B.1.617.2) in complex with SWC11 Fab
To Be Published
7WCK
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BU of 7wck by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P(B.1.617.2) in complex with SWA9 Fab
分子名称: SWA9H, SWA9L, Surface glycoprotein
著者Du, S, Xiao, J.Y.
登録日2021-12-20
公開日2022-12-28
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Local CryoEM structure of the SARS-CoV-2 S6P(B.1.617.2) in complex with SWA9 Fab
To Be Published
7W1O
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BU of 7w1o by Molmil
Deactive state CI from Q10-NADH dataset, Subclass 1
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-19
公開日2022-12-21
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022

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