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8K46
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A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains
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 glycoprotein, ...
著者Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H.
登録日2023-07-17
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
8K45
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BU of 8k45 by Molmil
A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains
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, Nb4 nanobody, ...
著者Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H.
登録日2023-07-17
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
8K47
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BU of 8k47 by Molmil
A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains
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 glycoprotein, ...
著者Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H.
登録日2023-07-17
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
8K3K
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BU of 8k3k by Molmil
The crystal structure of nanobody Nb4 in complex with receptor binding domain (RBD) of BA.1 Spike protein
分子名称: Nanobody Nb4, Spike protein S1
著者Wang, H.Y, Xu, W.Q.
登録日2023-07-16
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
8TBE
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BU of 8tbe by Molmil
Co-crystal structure of SARS-CoV-2 Mpro with Pomotrelvir
分子名称: 3C-like proteinase nsp5, Pomotrelvir bound form
著者Olland, A, Fontano, E, White, A.
登録日2023-06-28
公開日2023-08-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Evaluation of in vitro antiviral activity of SARS-CoV-2 M pro inhibitor pomotrelvir and cross-resistance to nirmatrelvir resistance substitutions.
Antimicrob.Agents Chemother., 67, 2023
8PFK
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RNA structure with 1-methylpseudoridine, C2 space group
分子名称: MAGNESIUM ION, RNA (12-mer)
著者Spingler, B, McAuley, K, Nievergelt, P, Thorn, A.
登録日2023-06-16
公開日2024-01-31
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.321 Å)
主引用文献RNA oligomers at atomic resolution containing 1-methylpseudouridine, an essential building block of mRNA vaccines.
Chemmedchem, 19, 2024
8PFQ
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RNA structure with 1-methylpseudoridine, P1 space group
分子名称: Chains: A,B, MAGNESIUM ION
著者Spingler, B, McAuley, K, Nievergelt, P, Thorn, A.
登録日2023-06-16
公開日2024-01-31
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献RNA oligomers at atomic resolution containing 1-methylpseudouridine, an essential building block of mRNA vaccines.
Chemmedchem, 19, 2024
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
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
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
8SWH
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BU of 8swh by Molmil
Local refinement of SARS-CoV-2 (HP-GSAS-Mut7) spike NTD in complex with TXG-0078 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TXG-0078 Fab Heavy chain, ...
著者Bangaru, B, Ward, A.
登録日2023-05-18
公開日2024-05-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Deep repertoire mining uncovers ultra-broad coronavirus neutralizing antibodies targeting multiple spike epitopes.
Cell Rep, 43, 2024
8P2W
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BU of 8p2w by Molmil
Structure of human SIT1 (focussed map / refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Sodium- and chloride-dependent transporter XTRP3
著者Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
登録日2023-05-16
公開日2024-06-12
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.76 Å)
主引用文献Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
8P2Z
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Structure of human SIT1 bound to L-pipecolate (focussed map / refinement)
分子名称: (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
登録日2023-05-16
公開日2024-06-12
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
8P30
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Structure of human SIT1:ACE2 complex (open PD conformation) bound to L-pipecolate
分子名称: (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
登録日2023-05-16
公開日2024-06-12
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
8P2Y
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Structure of human SIT1:ACE2 complex (closed PD conformation)
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
登録日2023-05-16
公開日2024-06-12
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
8P31
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Structure of human SIT1:ACE2 complex (closed PD conformation) bound to L-pipecolate
分子名称: (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
登録日2023-05-16
公開日2024-06-12
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
8P2X
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Structure of human SIT1:ACE2 complex (open PD conformation)
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
登録日2023-05-16
公開日2024-06-12
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
8SUZ
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BU of 8suz by Molmil
Open State of the SARS-CoV-2 Envelope Protein Transmembrane Domain, Determined by Solid-State NMR
分子名称: Envelope small membrane protein
著者Medeiros-Silva, J, Dregni, A.J, Somberg, N.H, Hong, M.
登録日2023-05-14
公開日2023-10-25
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Atomic structure of the open SARS-CoV-2 E viroporin.
Sci Adv, 9, 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
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
8OYU
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BU of 8oyu by Molmil
Stabilised BA.1 SARS-CoV-2 spike with H6 nanobodies in '2 up 1 down' RBD 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, H6 nanobody, ...
著者Weckener, M, Naismith, J.H, Owens, R.J.
登録日2023-05-05
公開日2024-05-15
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024

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件を2024-08-07に公開中

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