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8T5Q
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SARS-CoV-2 ORF3a peptide in complex with TRAF2 TRAF domain
分子名称: DI(HYDROXYETHYL)ETHER, ORF3a protein, TETRAETHYLENE GLYCOL, ...
著者Busscher, B.M, Xiao, T.S.
登録日2023-06-14
公開日2023-11-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献SARS-CoV-2 ORF3a-Mediated NF-kappa B Activation Is Not Dependent on TRAF-Binding Sequence.
Viruses, 15, 2023
8T5P
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BU of 8t5p by Molmil
SARS-CoV-2 ORF3a peptide in complex with TRAF3 TRAF domain
分子名称: ORF3a protein, TNF receptor-associated factor 3
著者Busscher, B.M, Xiao, T.S.
登録日2023-06-14
公開日2023-11-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献SARS-CoV-2 ORF3a-Mediated NF-kappa B Activation Is Not Dependent on TRAF-Binding Sequence.
Viruses, 15, 2023
8JOP
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Crystal structure of the SARS-CoV-2 main protease in complex with 11a
分子名称: 3C-like proteinase nsp5, methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate
著者Zeng, R, Liu, Y.Z, Wang, F.L, Yang, S.Y, Lei, J.
登録日2023-06-08
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of benzodiazepine derivatives as a new class of covalent inhibitors of SARS-CoV-2 main protease.
Bioorg.Med.Chem.Lett., 92, 2023
8P9Y
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BU of 8p9y by Molmil
SARS-CoV-2 S protein S:D614G mutant in 3-down with binding site of an entry inhibitor
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, SODIUM ION, ...
著者Adhav, A, Forcada-Nadal, A, Marco-Marin, C, Lopez-Redondo, M.L, Llacer, J.L.
登録日2023-06-06
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献C-2 Thiophenyl Tryptophan Trimers Inhibit Cellular Entry of SARS-CoV-2 through Interaction with the Viral Spike (S) Protein.
J.Med.Chem., 66, 2023
8P99
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BU of 8p99 by Molmil
SARS-CoV-2 S-protein:D614G mutant in 1-up conformation
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, Spike protein S1,Spike glycoprotein
著者Adhav, A, Forcada-Nadal, A, Marco-Marin, C, Lopez-Redondo, M.L, Llacer, J.L.
登録日2023-06-05
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献C-2 Thiophenyl Tryptophan Trimers Inhibit Cellular Entry of SARS-CoV-2 through Interaction with the Viral Spike (S) Protein.
J.Med.Chem., 66, 2023
8JJE
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BU of 8jje by Molmil
RBD of SARS-CoV2 spike protein with ACE2 decoy
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, Angiotensin-converting enzyme 2, ...
著者Kishikawa, J, Hirose, M, Kato, T, Okamoto, T.
登録日2023-05-30
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献An inhaled ACE2 decoy confers protection against SARS-CoV-2 infection in preclinical models.
Sci Transl Med, 15, 2023
8SXO
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BU of 8sxo by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H164I Mutant
分子名称: 3C-like proteinase nsp5
著者Kohaal, N, Lewandowski, E.M, Wang, J, Chen, Y.
登録日2023-05-23
公開日2023-06-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H164I Mutant
To Be Published
8STZ
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BU of 8stz by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37
分子名称: 3C-like proteinase nsp5, benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate
著者Blankenship, L.B, Liu, W.R.
登録日2023-05-11
公開日2023-08-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
8STY
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BU of 8sty by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI60
分子名称: 3C-like proteinase nsp5, benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate
著者Blankenship, L.B, Liu, W.R.
登録日2023-05-11
公開日2023-08-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
8SPJ
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) N28T Mutant
分子名称: 3C-like proteinase nsp5
著者Kohaal, N, Lewandowski, E.M, Wang, J, Chen, Y.
登録日2023-05-03
公開日2023-05-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease (Mpro) N28T Mutant
To Be Published
8SPH
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BU of 8sph by Molmil
Crystal structure of chimeric omicron RBD (strain XBB.1) complexed with human ACE2
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(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Zhang, W, Shi, K, Aihara, H, Li, F.
登録日2023-05-03
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural evolution of SARS-CoV-2 omicron in human receptor recognition.
J.Virol., 97, 2023
8SPI
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BU of 8spi by Molmil
Crystal structure of chimeric omicron RBD (strain XBB.1.5) complexed with human ACE2
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(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Zhang, W, Shi, K, Aihara, H, Li, F.
登録日2023-05-03
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structural evolution of SARS-CoV-2 omicron in human receptor recognition.
J.Virol., 97, 2023
8SMT
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BU of 8smt by Molmil
Crystal structure of antibody WRAIR-2134 in complex with SARS-CoV-2 receptor binding domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, WRAIR-2134 Fab heavy chain, ...
著者Sankhala, R.S, Jensen, J.L, Joyce, M.G.
登録日2023-04-26
公開日2023-06-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Antibody targeting of conserved sites of vulnerability on the SARS-CoV-2 spike receptor-binding domain.
Structure, 32, 2024
8SMI
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BU of 8smi by Molmil
Crystal structure of antibody WRAIR-2123 in complex with SARS-CoV-2 receptor binding domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, WRAIR-2123 Fab heavy chain, ...
著者Sankhala, R.S, Jensen, J.L, Joyce, M.G.
登録日2023-04-26
公開日2023-12-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Antibody targeting of conserved sites of vulnerability on the SARS-CoV-2 spike receptor-binding domain.
Structure, 32, 2024
8J5J
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BU of 8j5j by Molmil
The crystal structure of bat coronavirus RsYN04 RBD bound to the antibody S43
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, nano antibody S43
著者Zhao, R.C, Niu, S, Han, P, Qi, J.X, Gao, G.F, Wang, Q.H.
登録日2023-04-23
公開日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Cross-species recognition of bat coronavirus RsYN04 and cross-reaction of SARS-CoV-2 antibodies against the virus.
Zool.Res., 44, 2023
8SKH
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BU of 8skh by Molmil
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2023-06-14
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
8SK4
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BU of 8sk4 by Molmil
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
8SK5
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BU of 8sk5 by Molmil
Crystal structure of the SARS-CoV-2 neutralizing VHH 7A9 bound to the spike receptor binding domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, anti-SARS-CoV-2 receptor binding domain VHH
著者Noland, C.L, Pande, K, Zhang, L, Zhou, H, Galli, J, Eddins, M, Gomez-Llorente, Y.
登録日2023-04-18
公開日2023-08-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.011 Å)
主引用文献Discovery and multimerization of cross-reactive single-domain antibodies against SARS-like viruses to enhance potency and address emerging SARS-CoV-2 variants.
Sci Rep, 13, 2023
8SGU
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BU of 8sgu by Molmil
Crystal structure of the SARS-CoV-2 receptor binding domain
分子名称: 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, GLYCEROL, ...
著者Sankhala, R.S, Jensen, J.L, Joyce, M.G.
登録日2023-04-13
公開日2023-12-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Antibody targeting of conserved sites of vulnerability on the SARS-CoV-2 spike receptor-binding domain.
Structure, 32, 2024
8SG6
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BU of 8sg6 by Molmil
SARS-CoV-2 Main Protease (Mpro) H163A Mutant Reduced with 20mM TCEP
分子名称: 3C-like proteinase nsp5, GLYCEROL
著者Tran, N, McLeod, M.J, Barwell, S, Kalyaanamoorthy, S, Ganesan, A, Holyoak, T.
登録日2023-04-11
公開日2023-09-27
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献The H163A mutation unravels an oxidized conformation of the SARS-CoV-2 main protease.
Nat Commun, 14, 2023
8IX3
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BU of 8ix3 by Molmil
Cryo-EM structure of SARS-CoV-2 BA.4/5 spike protein in complex with 1G11 (local refinement)
分子名称: BA.4/5 variant spike protein, heavy chain of 1G11, light chain of 1G11
著者Sun, H, Jiang, Y, Zheng, Z, Zheng, Q, Li, S.
登録日2023-03-31
公開日2023-11-15
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.98 Å)
主引用文献Structural basis for broad neutralization of human antibody against Omicron sublineages and evasion by XBB variant.
J.Virol., 97, 2023
8S9Z
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BU of 8s9z by Molmil
Mpro inhibitors of SARS-CoV-2
分子名称: 3C-like proteinase nsp5, Mpro inhibitor
著者Blankenship, L.R, Liu, W.R.
登録日2023-03-30
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of MPI89 with Mpro of SARS-CoV-2 at 1.85A resolution.
To Be Published
8S9G
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BU of 8s9g by Molmil
SARS-CoV-2 BN.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Fab Heavy chain, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2023-03-28
公開日2023-10-04
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Neutralization, effector function and immune imprinting of Omicron variants.
Nature, 621, 2023
8GJM
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BU of 8gjm by Molmil
17b10 fab in complex with full-length SARS-CoV-2 Spike G614 trimer
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-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kwon, H.J, Zhang, J, Kosikova, M, Tang, W.C, Rodriguez, U.O, Peng, H.Q, Meseda, C.A, Pedro, C.L, Schmeisser, F, Lu, J.M, Zhou, B, Davis, C.T, Wentworth, D.E, Chen, W.H, Shriver, M.C, Pasetti, M.F, Weir, J.P, Chen, B, Xie, H.
登録日2023-03-16
公開日2023-04-05
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Distinct in vitro and in vivo neutralization profiles of monoclonal antibodies elicited by the receptor binding domain of the ancestral SARS-CoV-2.
J Med Virol, 95, 2023
8GJN
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BU of 8gjn by Molmil
17B10 fab in complex with up-RBD of SARS-CoV-2 Spike G614 trimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 17B10 Fab, Light chain of 17B10 Fab, ...
著者Kwon, H.J, Zhang, J, Kosikova, M, Tang, W.C, Rodriguez, U.O, Peng, H.Q, Meseda, C.A, Pedro, C.L, Schmeisser, F, Lu, J.M, Zhou, B, Davis, C.T, Wentworth, D.E, Chen, W.H, Shriver, M.C, Pasetti, M.F, Weir, J.P, Chen, B, Xie, H.
登録日2023-03-16
公開日2023-04-05
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Distinct in vitro and in vivo neutralization profiles of monoclonal antibodies elicited by the receptor binding domain of the ancestral SARS-CoV-2.
J Med Virol, 95, 2023

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件を2024-05-22に公開中

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