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8UUO
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BU of 8uuo by Molmil
Prototypic SARS-CoV-2 spike (containing V417) in the open conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose, ...
Authors:Geng, Q, Liu, B, Li, F.
Deposit date:2023-11-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein.
Elife, 12, 2023
8UUN
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BU of 8uun by Molmil
Prototypic SARS-CoV-2 spike (containing V417) in the closed 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 glycoprotein
Authors:Geng, Q, Liu, B, Li, F.
Deposit date:2023-11-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein.
Elife, 12, 2023
8UUM
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BU of 8uum by Molmil
Prototypic SARS-CoV-2 spike (containing K417) in the open conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose, ...
Authors:Geng, Q, Liu, B, Li, F.
Deposit date:2023-11-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite: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
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:Geng, Q, Liu, B, Li, F.
Deposit date:2023-11-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CHOLESTEROL, Lauryl Maltose Neopentyl Glycol, ...
Authors:Wang, L, Hoang, A, Zhou, M.
Deposit date:2023-11-01
Release date:2024-02-07
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite: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
Descriptor: 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, ...
Authors:Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
Deposit date:2023-11-01
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
Deposit date:2023-11-01
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.74 Å)
Cite: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
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Chen, W, Bruner, S.D.
Deposit date:2023-10-31
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.56 Å)
Cite: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
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 23R-B04dslf02IB, ...
Authors:Bera, A.K, Berger, S.A, Kang, A, Baker, D.
Deposit date:2023-10-31
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Preclinical proof of principle for orally delivered Th17 antagonist miniproteins.
Cell, 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
Descriptor: 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')
Authors:Terrell, J.R, Le, T.T, Wilson, W.D, Siemer, J.L.
Deposit date:2023-10-31
Release date:2024-06-19
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.97 Å)
Cite: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
Descriptor: 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
Authors:Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
Deposit date:2023-10-31
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: 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, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite: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
Descriptor: 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, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
Descriptor: 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, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite: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
Descriptor: 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, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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
Descriptor: 09-1B12 HC Fv, 09-1B12 LC Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite: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
Descriptor: 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
Authors:Argiriadi, M.A, Ramos, A.L.
Deposit date:2023-10-29
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.47 Å)
Cite: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
Descriptor: 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
Authors:Argiriadi, M.A, Ramos, A.L.
Deposit date:2023-10-29
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite: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
Descriptor: PLATINUM (II) ION, Translocation and assembly module subunit TamA
Authors:Mellouk, A, Moraes, T.F, Calmettes, C.
Deposit date:2023-10-27
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (3.15 Å)
Cite: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
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, Translocation and assembly module subunit TamA
Authors:Mellouk, A, Moraes, T.F, Calmettes, C.
Deposit date:2023-10-27
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
Descriptor: Translocation and assembly module subunit TamA
Authors:Mellouk, A, Moraes, T.F, Calmettes, C.
Deposit date:2023-10-27
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (3.955 Å)
Cite: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
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Translocation and assembly module subunit TamA
Authors:Mellouk, A, Moraes, T.F, Calmettes, C.
Deposit date:2023-10-27
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, DNA (40-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Qayyum, M.Z, Imashimizu, M, Leanca, M, Vishwakarma, R.K, Bradley Riaz, A, Yuzenkova, Y, Murakami, K.S.
Deposit date:2023-10-26
Release date:2023-12-27
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Structure and function of the Si3 insertion integrated into the trigger loop/helix of cyanobacterial RNA polymerase.
Proc.Natl.Acad.Sci.USA, 121, 2024

223532

數據於2024-08-07公開中

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