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8TYL
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BU of 8tyl by Molmil
Structural and biochemical rationale for Beta variant protein booster vaccine broad cross-neutralization of SARS-CoV-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Bruch, E.M, Rak, A.
登録日2023-08-25
公開日2024-02-07
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Structural and biochemical rationale for Beta variant protein booster vaccine broad cross-neutralization of SARS-CoV-2.
Sci Rep, 14, 2024
8Q93
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BU of 8q93 by Molmil
Crystal structure of the SARS-COV-2 RBD with neutralizing-VHHs Re30H02 and Re21D01
分子名称: Nanobody Re21D01, Nanobody Re30H02, Spike protein S1
著者Aksu, M, Guttler, T, Rymarenko, O, Gorlich, D.
登録日2023-08-19
公開日2023-12-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
8Q95
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BU of 8q95 by Molmil
Crystal structure of the SARS-CoV-2 BA.1 RBD with neutralizing-VHHs Ma16B06 and Ma3F05
分子名称: Nanobody Ma16B06, Nanobody Ma3F05, Spike protein S1
著者Aksu, M, Rymarenko, O, Guttler, T, Gorlich, D.
登録日2023-08-19
公開日2023-12-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
8Q94
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BU of 8q94 by Molmil
Crystal structure of The SARS-COV-2 BA.2.75 RBD with neutralizing-VHHs Re32D03 and Ma3B12
分子名称: Nanobody Ma3B12, Nanobody Re32D03, Spike protein S1
著者Aksu, M, Guttler, T, Gorlich, D.
登録日2023-08-19
公開日2023-12-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
8TV6
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BU of 8tv6 by Molmil
SARS-CoV-2 Mac1 in complex with MDOLL-0169
分子名称: (1R,6R)-6-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Wazir, S, Maksimainen, M, Lehtio, L.
登録日2023-08-17
公開日2024-04-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Discovery of 2-Amide-3-methylester Thiophenes that Target SARS-CoV-2 Mac1 and Repress Coronavirus Replication, Validating Mac1 as an Antiviral Target.
J.Med.Chem., 67, 2024
8TV7
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BU of 8tv7 by Molmil
SARS-CoV-2 Mac1 in complex with MDOLL-0229
分子名称: (1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, GLYCEROL, Papain-like protease nsp3
著者Wazir, S, Maksimainen, M, Lehtio, L.
登録日2023-08-17
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of 2-Amide-3-methylester Thiophenes that Target SARS-CoV-2 Mac1 and Repress Coronavirus Replication, Validating Mac1 as an Antiviral Target.
J.Med.Chem., 67, 2024
8Q7S
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BU of 8q7s by Molmil
Crystal structure of the SARS-CoV-2 RBD (Wuhan) with neutralizing VHHs Ma6F06 and Re21H01
分子名称: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, GLYCEROL, ...
著者Guttler, T, Aksu, M, Gorlich, D.
登録日2023-08-16
公開日2023-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
8Q4O
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BU of 8q4o by Molmil
RNA G-quadruplex from the 5'-UTR of human tyrosine kinase 2 (TYK2)
分子名称: RNA (5'-R(*CP*GP*GP*UP*AP*GP*CP*GP*GP*GP*UP*AP*UP*GP*GP*GP*UP*CP*CP*GP*GP*GP*U)-3')
著者Toplishek, M, Kocman, V.
登録日2023-08-07
公開日2024-03-06
実験手法SOLUTION NMR
主引用文献High-Resolution Structure of RNA G-Quadruplex Containing Unique Structural Motifs Originating from the 5'-UTR of Human Tyrosine Kinase 2 (TYK2).
Acs Omega, 9, 2024
8TOU
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BU of 8tou by Molmil
ACE2-peptide 2 complex crystal form 3
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Franck, C, Payne, R.J, Christie, M.
登録日2023-08-04
公開日2024-02-07
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity.
Acs Chem.Biol., 19, 2024
8TOQ
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BU of 8toq by Molmil
ACE2-peptide 1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ...
著者Christie, M, Payne, R.J.
登録日2023-08-03
公開日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity.
Acs Chem.Biol., 19, 2024
8TOS
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BU of 8tos by Molmil
ACE2-peptide 6 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ...
著者Christie, M, Payne, R.
登録日2023-08-03
公開日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity.
Acs Chem.Biol., 19, 2024
8TOR
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BU of 8tor by Molmil
ACE2-peptide 2 complex
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Christie, M, Payne, R.J.
登録日2023-08-03
公開日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity.
Acs Chem.Biol., 19, 2024
8TOT
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BU of 8tot by Molmil
ACE2-peptide2 complex crystal form 2
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Christie, M, Payne, R.J.
登録日2023-08-03
公開日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity.
Acs Chem.Biol., 19, 2024
8TMA
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BU of 8tma by Molmil
Antibody N3-1 bound to RBD in the up conformation
分子名称: N3-1 Fab heavy chain, N3-1 Fab light chain, Spike glycoprotein
著者Hsieh, C.-L, McLellan, J.S.
登録日2023-07-29
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献SARS-COV-2 Omicron variants conformationally escape a rare quaternary antibody binding mode.
Commun Biol, 6, 2023
8TM1
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BU of 8tm1 by Molmil
Antibody N3-1 bound to RBDs in the up and down conformations
分子名称: N3-1 Fab heavy chain, N3-1 Fab light chain, Spike glycoprotein
著者Hsieh, C.-L, McLellan, J.S.
登録日2023-07-27
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献SARS-COV-2 Omicron variants conformationally escape a rare quaternary antibody binding mode.
Commun Biol, 6, 2023
8PYW
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BU of 8pyw by Molmil
Crystal structure of the human Nucleoside-diphosphate kinase B domain bound to compound diphosphate form of AT-9052-Sp.
分子名称: GLYCEROL, Nucleoside diphosphate kinase B, [[(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl] dihydrogen phosphate
著者Feracci, M, Chazot, A.
登録日2023-07-26
公開日2023-12-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.553 Å)
主引用文献An exonuclease-resistant chain-terminating nucleotide analogue targeting the SARS-CoV-2 replicase complex.
Nucleic Acids Res., 52, 2024
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
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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BU of 8pfk by Molmil
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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BU of 8pfq by Molmil
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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BU of 8t5q by Molmil
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

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件を2024-07-10に公開中

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