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8H57
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) A193P Mutant 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2022-10-12
公開日2023-10-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.55 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
8H6N
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BU of 8h6n by Molmil
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
8H3K
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BU of 8h3k by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir
分子名称: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, 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Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H.
登録日2022-10-08
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
8H82
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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2024-10-16
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
8H4Y
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) F140L Mutant 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2024-10-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8HBK
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BU of 8hbk by Molmil
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
8IJ1
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Protomer 1 and 2 of the asymmetry trimer of the Cul2-Rbx1-EloBC-FEM1B ubiquitin ligase complex
分子名称: Cullin-2, E3 ubiquitin-protein ligase RBX1, Elongin-B, ...
著者Dai, Z, Liang, L, Yin, Y.X.
登録日2023-02-24
公開日2024-02-28
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
5XN3
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BU of 5xn3 by Molmil
Crystal structure of SPSB2 in complex with a rational designed RGD containing cyclic peptide inhibitor of SPSB2-iNOS interaction
分子名称: SPRY domain-containing SOCS box protein 2, cR8 peptide from NOS2
著者You, T, Kuang, Z.
登録日2017-05-17
公開日2017-06-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Crystal structure of SPSB2 in complex with a rational designed RGD-containing cyclic peptide inhibitor of SPSB2-iNOS interaction.
Biochem. Biophys. Res. Commun., 489, 2017
1NS1
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BU of 1ns1 by Molmil
RNA-BINDING DOMAIN OF NON-STRUCTURAL PROTEIN 1 FROM INFLUENZA VIRUS, NMR, 16 STRUCTURES
分子名称: NONSTRUCTURAL PROTEIN 1
著者Montelione, G.T, Chien, C.-Y, Tejero, R.
登録日1997-10-02
公開日1998-01-14
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A novel RNA-binding motif in influenza A virus non-structural protein 1.
Nat.Struct.Biol., 4, 1997
4L08
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BU of 4l08 by Molmil
Crystal structure of the maleamate amidase Ami(C149A) in complex with maleate from Pseudomonas putida S16
分子名称: Hydrolase, isochorismatase family, MALEIC ACID
著者Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P.
登録日2013-05-31
公開日2014-07-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases.
Mol.Microbiol., 91, 2014
4L07
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BU of 4l07 by Molmil
Crystal structure of the maleamate amidase Ami from Pseudomonas putida S16
分子名称: GLYCEROL, Hydrolase, isochorismatase family, ...
著者Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P.
登録日2013-05-30
公開日2014-07-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases.
Mol.Microbiol., 91, 2014
7W0S
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BU of 7w0s by Molmil
TRIM7 in complex with C-terminal peptide of 2C
分子名称: DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase TRIM7, GLYCEROL, ...
著者Zhang, H, Liang, X, Li, X.Z.
登録日2021-11-18
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
7W0Q
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BU of 7w0q by Molmil
TRIM7 in complex with C-terminal peptide of 2C
分子名称: E3 ubiquitin-protein ligase TRIM7, peptide
著者Zhang, H, Liang, X, Li, X.Z.
登録日2021-11-18
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
7W0T
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BU of 7w0t by Molmil
TRIM7 in complex with C-terminal peptide of 2C
分子名称: E3 ubiquitin-protein ligase TRIM7, peptide
著者Zhang, H, Liang, X, Li, X.Z.
登録日2021-11-18
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
8RKH
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BU of 8rkh by Molmil
Crystal structure of the ZP-N2 and ZP-N3 domains of mouse ZP2 (mZP2-N2N3)
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, Zona pellucida sperm-binding protein 2, ...
著者Fahrenkamp, D, de Sanctis, D, Jovine, L.
登録日2023-12-25
公開日2024-03-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
8RKE
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BU of 8rke by Molmil
Crystal structure of the complete N-terminal region of human ZP2 (hZP2-N1N2N3)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Fahrenkamp, D, de Sanctis, D, Jovine, L.
登録日2023-12-25
公開日2024-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
8RKI
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Molecular basis of ZP3/ZP1 heteropolymerization: crystal structure of a native vertebrate egg coat filament fragment
分子名称: Choriogenin H, YTTERBIUM (III) ION, Zona pellucida sperm-binding protein 3, ...
著者Wiseman, B, Zamora-Caballero, S, de Sanctis, D, Yasumasu, S, Jovine, L.
登録日2023-12-25
公開日2024-03-13
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
8RKG
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BU of 8rkg by Molmil
Crystal structure of tetrameric collagenase-cleaved Xenopus ZP2-N2N3 (cleaved xZP2-N2N3)
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, BICINE, ...
著者Nishio, S, de Sanctis, D, Jovine, L.
登録日2023-12-25
公開日2024-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
8RKF
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BU of 8rkf by Molmil
Crystal structure of the ZP-N1 and ZP-N2 domains of human ZP2 (hZP2-N1N2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2
著者Dioguardi, E, Stsiapanava, A, de Sanctis, D, Jovine, L.
登録日2023-12-25
公開日2024-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
8SK4
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Co-structure of SARS-CoV-2 (COVID-19 with covalent pyrazoline based inhibitors)
分子名称: 2-chloro-1-[(5R)-3-phenyl-5-(quinoxalin-5-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase nsp5, IMIDAZOLE
著者Knapp, M.S, Ornelas, E.
登録日2023-04-18
公開日2023-06-07
最終更新日2023-06-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Potent Pyrazoline-Based Covalent SARS-CoV-2 Main Protease Inhibitors.
Chembiochem, 2023
8SKH
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Co-structure of SARS-CoV-2 (COVID-19 with covalent pyrazoline based inhibitors
分子名称: 2-chloro-1-[(4R,5R)-3,4,5-triphenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase nsp5
著者Knapp, M.S, Ornelas, E.
登録日2023-04-19
公開日2023-06-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.882 Å)
主引用文献Discovery of Potent Pyrazoline-Based Covalent SARS-CoV-2 Main Protease Inhibitors.
Chembiochem, 24, 2023
2B29
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N-terminal domain of the RPA70 subunit of human replication protein A.
分子名称: Replication protein A 70 kDa DNA-binding subunit
著者Bochkareva, E, Kaustov, L, Ayed, A, Okorokov, A, Milner, J, Arrowsmith, C.H, Bochkarev, A.
登録日2005-09-18
公開日2005-10-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Single-stranded DNA mimicry in the p53 transactivation domain interaction with replication protein A.
Proc.Natl.Acad.Sci.Usa, 102, 2005
6L42
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Structure of severe fever with thrombocytopenia syndrome virus L protein
分子名称: MAGNESIUM ION, RNA polymerase
著者Wang, P, Lou, Z.
登録日2019-10-15
公開日2020-05-13
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of severe fever with thrombocytopenia syndrome virus L protein elucidates the mechanisms of viral transcription initiation.
Nat Microbiol, 5, 2020
2F5J
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Crystal structure of MRG domain from human MRG15
分子名称: Mortality factor 4-like protein 1
著者Zhang, P, Du, J, Ding, J.
登録日2005-11-26
公開日2006-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The MRG domain of human MRG15 uses a shallow hydrophobic pocket to interact with the N-terminal region of PAM14
Protein Sci., 15, 2006

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