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8K46
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BU of 8k46 by Molmil
A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains
Descriptor: 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, ...
Authors:Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H.
Deposit date:2023-07-17
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite: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
Descriptor: 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, ...
Authors:Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H.
Deposit date:2023-07-17
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite: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
Descriptor: 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, ...
Authors:Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H.
Deposit date:2023-07-17
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite: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
Descriptor: Nanobody Nb4, Spike protein S1
Authors:Wang, H.Y, Xu, W.Q.
Deposit date:2023-07-16
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.43 Å)
Cite: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
Descriptor: 3C-like proteinase nsp5, Pomotrelvir bound form
Authors:Olland, A, Fontano, E, White, A.
Deposit date:2023-06-28
Release date:2023-08-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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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BU of 8pfk by Molmil
RNA structure with 1-methylpseudoridine, C2 space group
Descriptor: MAGNESIUM ION, RNA (12-mer)
Authors:Spingler, B, McAuley, K, Nievergelt, P, Thorn, A.
Deposit date:2023-06-16
Release date:2024-01-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.321 Å)
Cite:RNA oligomers at atomic resolution containing 1-methylpseudouridine, an essential building block of mRNA vaccines.
Chemmedchem, 19, 2024
8PFQ
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BU of 8pfq by Molmil
RNA structure with 1-methylpseudoridine, P1 space group
Descriptor: Chains: A,B, MAGNESIUM ION
Authors:Spingler, B, McAuley, K, Nievergelt, P, Thorn, A.
Deposit date:2023-06-16
Release date:2024-01-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.01 Å)
Cite: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
Descriptor: ORF3a protein, TNF receptor-associated factor 3
Authors:Busscher, B.M, Xiao, T.S.
Deposit date:2023-06-14
Release date:2023-11-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:SARS-CoV-2 ORF3a-Mediated NF-kappa B Activation Is Not Dependent on TRAF-Binding Sequence.
Viruses, 15, 2023
8T5Q
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BU of 8t5q by Molmil
SARS-CoV-2 ORF3a peptide in complex with TRAF2 TRAF domain
Descriptor: DI(HYDROXYETHYL)ETHER, ORF3a protein, TETRAETHYLENE GLYCOL, ...
Authors:Busscher, B.M, Xiao, T.S.
Deposit date:2023-06-14
Release date:2023-11-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:SARS-CoV-2 ORF3a-Mediated NF-kappa B Activation Is Not Dependent on TRAF-Binding Sequence.
Viruses, 15, 2023
8JOP
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BU of 8jop by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with 11a
Descriptor: 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
Authors:Zeng, R, Liu, Y.Z, Wang, F.L, Yang, S.Y, Lei, J.
Deposit date:2023-06-08
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 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, ...
Authors:Adhav, A, Forcada-Nadal, A, Marco-Marin, C, Lopez-Redondo, M.L, Llacer, J.L.
Deposit date:2023-06-06
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite: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
Descriptor: 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
Authors:Adhav, A, Forcada-Nadal, A, Marco-Marin, C, Lopez-Redondo, M.L, Llacer, J.L.
Deposit date:2023-06-05
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: 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, ...
Authors:Kishikawa, J, Hirose, M, Kato, T, Okamoto, T.
Deposit date:2023-05-30
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: 3C-like proteinase nsp5
Authors:Kohaal, N, Lewandowski, E.M, Wang, J, Chen, Y.
Deposit date:2023-05-23
Release date:2023-06-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.76 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TXG-0078 Fab Heavy chain, ...
Authors:Bangaru, B, Ward, A.
Deposit date:2023-05-18
Release date:2024-05-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Sodium- and chloride-dependent transporter XTRP3
Authors: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.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite: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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BU of 8p2z by Molmil
Structure of human SIT1 bound to L-pipecolate (focussed map / refinement)
Descriptor: (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors: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.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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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BU of 8p30 by Molmil
Structure of human SIT1:ACE2 complex (open PD conformation) bound to L-pipecolate
Descriptor: (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors: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.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite: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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BU of 8p2y by Molmil
Structure of human SIT1:ACE2 complex (closed PD conformation)
Descriptor: 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, ...
Authors: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.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite: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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BU of 8p31 by Molmil
Structure of human SIT1:ACE2 complex (closed PD conformation) bound to L-pipecolate
Descriptor: (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors: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.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite: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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BU of 8p2x by Molmil
Structure of human SIT1:ACE2 complex (open PD conformation)
Descriptor: 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, ...
Authors: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.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite: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
Descriptor: Envelope small membrane protein
Authors:Medeiros-Silva, J, Dregni, A.J, Somberg, N.H, Hong, M.
Deposit date:2023-05-14
Release date:2023-10-25
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite: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
Descriptor: 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
Authors:Blankenship, L.B, Liu, W.R.
Deposit date:2023-05-11
Release date:2023-08-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 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
Authors:Blankenship, L.B, Liu, W.R.
Deposit date:2023-05-11
Release date:2023-08-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: 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, ...
Authors:Weckener, M, Naismith, J.H, Owens, R.J.
Deposit date:2023-05-05
Release date:2024-05-15
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024

223532

数据于2024-08-07公开中

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