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8UUM
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BU of 8uum by Molmil
Prototypic SARS-CoV-2 spike (containing K417) in the open conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose, ...
著者Geng, Q, Liu, B, Li, F.
登録日2023-11-01
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein.
Elife, 12, 2023
8UUL
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BU of 8uul by Molmil
Prototypic SARS-CoV-2 spike (containing K417) in the closed 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 glycoprotein
著者Geng, Q, Liu, B, Li, F.
登録日2023-11-01
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein.
Elife, 12, 2023
8UUK
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BU of 8uuk by Molmil
Pendrin in apo
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CHOLESTEROL, Lauryl Maltose Neopentyl Glycol, ...
著者Wang, L, Hoang, A, Zhou, M.
登録日2023-11-01
公開日2024-02-07
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Mechanism of anion exchange and small-molecule inhibition of pendrin.
Nat Commun, 15, 2024
8UUH
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BU of 8uuh by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12199
分子名称: 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-01
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUG
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BU of 8uug by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12303
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-01
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UTL
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BU of 8utl by Molmil
Bovine trypsin in complex with Thr3Dap mutated microviridin J
分子名称: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
著者Chen, W, Bruner, S.D.
登録日2023-10-31
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Alternative Linkage Chemistries in the Chemoenzymatic Synthesis of Microviridin-Based Cyclic Peptides.
Org.Lett., 26, 2024
8UTK
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BU of 8utk by Molmil
IL-23R minibinder - 23R-B04dslf02IB
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 23R-B04dslf02IB, ...
著者Bera, A.K, Berger, S.A, Kang, A, Baker, D.
登録日2023-10-31
公開日2024-07-10
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Preclinical proof of principle for orally delivered Th17 antagonist miniproteins.
Cell, 187, 2024
8UTG
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BU of 8utg by Molmil
An RNA G-Quadruplex from the NS5 gene in the West Nile Virus Genome
分子名称: AMMONIUM ION, POTASSIUM ION, RNA (5'-R(*UP*AP*UP*GP*GP*AP*AP*GP*AP*GP*GP*CP*GP*GP*UP*UP*GP*GP*UP*AP*U)-3')
著者Terrell, J.R, Le, T.T, Wilson, W.D, Siemer, J.L.
登録日2023-10-31
公開日2024-06-19
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure of an RNA G-quadruplex from the West Nile virus genome.
Nat Commun, 15, 2024
8UTE
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BU of 8ute by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 27
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
著者Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
登録日2023-10-31
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
8UT9
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BU of 8ut9 by Molmil
CryoEM structure of A/Shanghai/1/2013 H7 in complex with polyclonal Fab from mice immunized with H7 stem nanoparticles-28 days post immunization
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-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Huang, J, Han, J, Ward, A.B.
登録日2023-10-30
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UT8
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BU of 8ut8 by Molmil
CryoEM structure of A/Shanghai/1/2013 H7 in complex with polyclonal Fab from mice immunized with H7 stem nanoparticles-15 days post-immunization
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-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Huang, J, Han, J, Ward, A.B.
登録日2023-10-30
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UT7
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BU of 8ut7 by Molmil
CryoEM structure of A/Perth/16/2009 H3 in complex with polyclonal Fab from mice immunized with H3 stem nanoparticles-28 days post immunization
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, H3D28 pFab HC Fv_polyA, ...
著者Huang, J, Han, J, Ward, A.B.
登録日2023-10-30
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UT6
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BU of 8ut6 by Molmil
CryoEM structure of A/Perth/16/2009 H3 in complex with polyclonal Fab from mice immunized with H3 stem nanoparticles-15 days post immunization
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, H3D15 pFab HC Fv_polyA, ...
著者Huang, J, Han, J, Ward, A.B.
登録日2023-10-30
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UT5
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BU of 8ut5 by Molmil
CryoEM structure of A/Michigan/45/2015 H1 in complex with flu HA central stem VH1-18 antibody UCA6_N55T
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
著者Huang, J, Han, J, Ward, A.B.
登録日2023-10-30
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UT4
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BU of 8ut4 by Molmil
CryoEM structure of A/Michigan/45/2015 H1 in complex with flu HA central stem VH1-18 antibody 09-1B12
分子名称: 09-1B12 HC Fv, 09-1B12 LC Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Huang, J, Han, J, Ward, A.B.
登録日2023-10-30
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UT3
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BU of 8ut3 by Molmil
CryoEM structure of A/Perth/16/2009 H3 in complex with flu HA central stem VH1-18 antibody UCA6
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, Hemagglutinin, ...
著者Huang, J, Han, J, Ward, A.B.
登録日2023-10-30
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8USS
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BU of 8uss by Molmil
IL17A complexed to Compound 7
分子名称: 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A
著者Argiriadi, M.A, Ramos, A.L.
登録日2023-10-29
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
8USR
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BU of 8usr by Molmil
IL17A homodimer complexed to Compound 23
分子名称: Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide
著者Argiriadi, M.A, Ramos, A.L.
登録日2023-10-29
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
8US4
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BU of 8us4 by Molmil
C2221 Crystal structure of TamA (Barrel only) from Pseudomonas aeruginosa at 3.15 Ang
分子名称: PLATINUM (II) ION, Translocation and assembly module subunit TamA
著者Mellouk, A, Moraes, T.F, Calmettes, C.
登録日2023-10-27
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献POTRA domains of the TamA insertase interact with the outer membrane and modulate membrane properties.
Proc.Natl.Acad.Sci.USA, 121, 2024
8US3
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BU of 8us3 by Molmil
C2 Crystal structure of TamA from Pseudomonas aeruginosa at 3.1 Ang
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, Translocation and assembly module subunit TamA
著者Mellouk, A, Moraes, T.F, Calmettes, C.
登録日2023-10-27
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献POTRA domains of the TamA insertase interact with the outer membrane and modulate membrane properties.
Proc.Natl.Acad.Sci.USA, 121, 2024
8US2
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BU of 8us2 by Molmil
P22121 Crystal structure of TamA from Pseudomonas aeruginosa at 3.95 Ang
分子名称: Translocation and assembly module subunit TamA
著者Mellouk, A, Moraes, T.F, Calmettes, C.
登録日2023-10-27
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (3.955 Å)
主引用文献POTRA domains of the TamA insertase interact with the outer membrane and modulate membrane properties.
Proc.Natl.Acad.Sci.USA, 121, 2024
8US1
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BU of 8us1 by Molmil
P21 Crystal structure of TamA from Pseudomonas aeruginosa at 2.6 Ang
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Translocation and assembly module subunit TamA
著者Mellouk, A, Moraes, T.F, Calmettes, C.
登録日2023-10-27
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献POTRA domains of the TamA insertase interact with the outer membrane and modulate membrane properties.
Proc.Natl.Acad.Sci.USA, 121, 2024
8URW
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BU of 8urw by Molmil
Cyanobacterial RNA polymerase elongation complex with NusG and CTP
分子名称: CYTIDINE-5'-TRIPHOSPHATE, DNA (40-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Qayyum, M.Z, Imashimizu, M, Leanca, M, Vishwakarma, R.K, Bradley Riaz, A, Yuzenkova, Y, Murakami, K.S.
登録日2023-10-26
公開日2023-12-27
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Structure and function of the Si3 insertion integrated into the trigger loop/helix of cyanobacterial RNA polymerase.
Proc.Natl.Acad.Sci.USA, 121, 2024
8URF
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BU of 8urf by Molmil
Crystal Structure of human ASGR2 CRD (Carbohydrate Recognition Domain) bound to 8G8 Fab
分子名称: 8G8 Fab Heavy Chain, 8G8 Fab Light Chain, Asialoglycoprotein receptor 2, ...
著者Sampathumar, P, Li, Y.
登録日2023-10-25
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Targeted protein degradation systems to enhance Wnt signaling.
Elife, 13, 2024
8UR9
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BU of 8ur9 by Molmil
Crystal Structure of the SARS-CoV-2 Main Protease in Complex with Compound 61
分子名称: (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione, 3C-like proteinase nsp5
著者Papini, C, Zhang, C.H, Jorgensen, W.L, Anderson, K.S.
登録日2023-10-25
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Proof-of-concept studies with a computationally designed M pro inhibitor as a synergistic combination regimen alternative to Paxlovid.
Proc.Natl.Acad.Sci.USA, 121, 2024

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件を2024-09-11に公開中

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