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8HBK
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The crystal structure of SARS-CoV-2 3CL protease in complex with Ensitrelvir
分子名称: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者Lin, M.
登録日2022-10-29
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H6N
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Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (T21I) in complex with protease inhibitor 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, 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide, 3C-like proteinase nsp5
著者Lin, M, Liu, X.
登録日2022-10-18
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H7W
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Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (S144A) in complex with protease inhibitor 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Lin, M, Liu, X.
登録日2022-10-21
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H82
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BU of 8h82 by Molmil
Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (E166V) in complex with protease inhibitor 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Lin, M, Liu, X.
登録日2022-10-21
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H6I
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BU of 8h6i by Molmil
The crystal structure of SARS-CoV-2 3C-like protease Double Mutant (L50F and E166V) in complex with a traditional Chinese Medicine Inhibitors
分子名称: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 3C-like proteinase nsp5
著者Lin, M, Liu, X.
登録日2022-10-17
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H5P
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BU of 8h5p by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor 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Lin, M, Liu, X.
登録日2022-10-13
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H51
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BU of 8h51 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor 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Lin, M, Liu, X.
登録日2022-10-11
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H7K
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BU of 8h7k by Molmil
SARS-CoV-2 Mpro Double Mutant (H41A and T21I) in complex with nsp4/5 peptidyl substrate
分子名称: 3C-like proteinase nsp5, nsp4/5 peptidyl substrate
著者Lin, M, Liu, X.
登録日2022-10-20
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8WW2
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BU of 8ww2 by Molmil
GPR3/Gs complex
分子名称: CHOLESTEROL HEMISUCCINATE, G-protein coupled receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者He, Y, Xiong, Y.
登録日2023-10-24
公開日2024-02-14
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Identification of oleic acid as an endogenous ligand of GPR3.
Cell Res., 34, 2024
5GPR
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BU of 5gpr by Molmil
Crystal structure of chitinase-h from Ostrinia furnacalis
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase
著者Liu, T, Zhou, Y, Chen, L, Yang, Q.
登録日2016-08-04
公開日2017-01-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献Structure, Catalysis, and Inhibition of OfChi-h, the Lepidoptera-exclusive Insect Chitinase.
J. Biol. Chem., 292, 2017
5GQB
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BU of 5gqb by Molmil
Crystal structure of chitinase-h from O. furnacalis in complex with chitohepatose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, ...
著者Liu, T, Zhou, Y, Chen, L, Yang, Q.
登録日2016-08-06
公開日2017-01-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure, Catalysis, and Inhibition of OfChi-h, the Lepidoptera-exclusive Insect Chitinase.
J. Biol. Chem., 292, 2017
1ERI
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BU of 1eri by Molmil
X-RAY STRUCTURE OF THE DNA-ECO RI ENDONUCLEASE-DNA RECOGNITION COMPLEX: THE RECOGNITION NETWORK AND THE INTEGRATION OF RECOGNITION AND CLEAVAGE
分子名称: DNA (5'-D(*TP*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), PROTEIN (ECO RI ENDONUCLEASE (E.C.3.1.21.4))
著者Kim, Y, Grable, J.C, Love, R, Greene, P.J, Rosenberg, J.M.
登録日1994-05-18
公開日1995-02-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Refinement of Eco RI endonuclease crystal structure: a revised protein chain tracing.
Science, 249, 1990
1XX5
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BU of 1xx5 by Molmil
Crystal Structure of Natrin from Naja atra snake venom
分子名称: ETHANOL, Natrin 1
著者Wang, J, Shen, B, Lou, X.H, Guo, M, Teng, M.K, Niu, L.W.
登録日2004-11-04
公開日2005-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Blocking effect and crystal structure of natrin toxin, a cysteine-rich secretory protein from Naja atra venom that targets the BKCa channel
Biochemistry, 44, 2005
8SKY
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BU of 8sky by Molmil
Crystal structure of YisK from Bacillus subtilis in complex with oxalate
分子名称: Fumarylacetoacetate hydrolase family protein, MANGANESE (II) ION, OXALATE ION
著者Krieger, I.V, Chemelewski, V, Guo, T, Sperber, A, Herman, J, Sacchettini, J.C.
登録日2023-04-20
公開日2023-11-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Bacillus subtilis YisK possesses oxaloacetate decarboxylase activity and exhibits Mbl-dependent localization.
J.Bacteriol., 206, 2024
8SUT
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BU of 8sut by Molmil
Crystal structure of YisK from Bacillus subtilis in complex with reaction product 4-Hydroxy-2-oxoglutaric acid
分子名称: (2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid, Fumarylacetoacetate hydrolase family protein, MANGANESE (II) ION
著者Krieger, I.V, Chemelewski, V, Guo, T, Sperber, A, Herman, J, Sacchettini, J.C.
登録日2023-05-13
公開日2023-11-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Bacillus subtilis YisK possesses oxaloacetate decarboxylase activity and exhibits Mbl-dependent localization.
J.Bacteriol., 206, 2024
8SUU
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BU of 8suu by Molmil
Crystal structure of YisK from Bacillus subtilis in apo form
分子名称: Fumarylacetoacetate hydrolase family protein, MANGANESE (II) ION
著者Krieger, I.V, Chemelewski, V, Guo, T, Sperber, A, Herman, J, Sacchettini, J.C.
登録日2023-05-13
公開日2023-11-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Bacillus subtilis YisK possesses oxaloacetate decarboxylase activity and exhibits Mbl-dependent localization.
J.Bacteriol., 206, 2024
7Y9N
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BU of 7y9n by Molmil
an engineered 5-helix bundle derived from SARS-CoV-2 S2 in complex with HR2P
分子名称: SARS-coV-2 S2 subunit, Spike protein S2',5HB-H2
著者Lu, G.W, Lin, X, Guo, L.Y, Lin, S.
登録日2022-06-25
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.885 Å)
主引用文献An engineered 5-helix bundle derived from SARS-CoV-2 S2 pre-binds sarbecoviral spike at both serological- and endosomal-pH to inhibit virus entry.
Emerg Microbes Infect, 11, 2022
6LU7
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BU of 6lu7 by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor N3
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z.
登録日2020-01-26
公開日2020-02-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
7WY8
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ADGRL3/Gs complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Isoform 3 of Adhesion G protein-coupled receptor L3, ...
著者He, Y, Qian, Y.
登録日2022-02-15
公開日2022-10-26
最終更新日2022-11-30
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Structural insights into adhesion GPCR ADGRL3 activation and Gq, Gs, Gi, and G12 coupling
Mol.Cell, 82, 2022
7WYB
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ADGRL3/Gi complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者He, Y, Qian, Y.
登録日2022-02-15
公開日2022-10-26
最終更新日2022-11-30
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structural insights into adhesion GPCR ADGRL3 activation and G q , G s , G i , and G 12 coupling.
Mol.Cell, 82, 2022
7WY5
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ADGRL3/Gq complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Isoform 3 of Adhesion G protein-coupled receptor L3, ...
著者He, Y, Qian, Y.
登録日2022-02-15
公開日2022-10-26
最終更新日2022-11-30
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Structural insights into adhesion GPCR ADGRL3 activation and Gq, Gs, Gi, and G12 coupling.
Mol.Cell, 82, 2022
7X10
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ADGRL3/miniG12 complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Isoform 3 of Adhesion G protein-coupled receptor L3, ...
著者He, Y, Qian, Y.
登録日2022-02-22
公開日2022-11-09
最終更新日2022-11-30
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Structural insights into adhesion GPCR ADGRL3 activation and Gq, Gs, Gi, and G12 coupling.
Mol.Cell, 82, 2022
7XXJ
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Echo 18 incubated with FcRn at pH5.5
分子名称: PALMITIC ACID, VP1, VP2, ...
著者Liu, C.C, Qu, X.
登録日2022-05-30
公開日2022-06-29
最終更新日2023-01-11
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Human FcRn Is a Two-in-One Attachment-Uncoating Receptor for Echovirus 18.
Mbio, 13, 2022
7XXG
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Echo 18 at pH5.5
分子名称: PALMITIC ACID, VP1, VP2, ...
著者Liu, C.C, Qu, X.
登録日2022-05-30
公開日2022-06-29
最終更新日2023-01-11
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Human FcRn Is a Two-in-One Attachment-Uncoating Receptor for Echovirus 18.
Mbio, 13, 2022
7XXA
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Complex of Echo 18 and FcRn at pH7.4
分子名称: IgG receptor FcRn large subunit p51, VP1, VP2, ...
著者Liu, C.C, Qu, X.
登録日2022-05-29
公開日2022-06-29
最終更新日2023-01-11
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Human FcRn Is a Two-in-One Attachment-Uncoating Receptor for Echovirus 18.
Mbio, 13, 2022

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