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8QS0
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BU of 8qs0 by Molmil
Acyl-ACP thioesterase from Lemna paucicostata in complex with a spirolactam
Descriptor: (5~{S})-9-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-10-one, Acyl-acp thioesterase
Authors:Freigang, J.
Deposit date:2023-10-10
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and Optimization of Spirocyclic Lactams that Inhibit Acyl-ACP Thioesterase.
Pest Manag Sci, 2024
8QRX
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BU of 8qrx by Molmil
Solution NMR structure of the peptidyl carrier domain TomAPCP from the Tomaymycin non-ribosomal peptide synthetase in its substrate-loaded state
Descriptor: TomAPCP substrate-loaded from the Tomaymycin non-ribosomal peptide synthetase
Authors:Karanth, M.N, Kirkpatrick, J.P, Carlomagno, T.
Deposit date:2023-10-09
Release date:2024-06-26
Last modified:2024-07-03
Method:SOLUTION NMR
Cite:The specificity of intermodular recognition in a prototypical nonribosomal peptide synthetase depends on an adaptor domain.
Sci Adv, 10, 2024
8QRT
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BU of 8qrt by Molmil
Acyl-ACP thioesterase from Lemna paucicostata in complex with a spirolactam
Descriptor: (5~{S})-7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one, Acyl-acp thioesterase
Authors:Freigang, J.
Deposit date:2023-10-09
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and Optimization of Spirocyclic Lactams that Inhibit Acyl-ACP Thioesterase.
Pest Manag Sci, 2024
8QRH
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BU of 8qrh by Molmil
Inactivated tick-borne encephalitis virus (TBEV) vaccine strain Sofjin-Chumakov
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, Small envelope protein M
Authors:Moiseenko, A.V, Zhang, Y, Vorovitch, M, Ivanova, A, Liu, Z, Osolodkin, D.I, Egorov, A, Ishmukhametov, A, Sokolova, O.S.
Deposit date:2023-10-07
Release date:2024-06-05
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:The structure of inactivated mature tick-borne encephalitis virus at 3.0 angstrom resolution.
Emerg Microbes Infect, 13, 2024
8QRG
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BU of 8qrg by Molmil
SARS-CoV-2 delta RBD complexed with XBB-2 Fab and NbC1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, NbC1, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2023-10-07
Release date:2024-05-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024
8QRF
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BU of 8qrf by Molmil
SARS-CoV-2 delta RBD complexed with XBB-6 and beta-49 Fabs
Descriptor: Beta-49 heavy chain, Beta-49 light chain, Spike protein S1, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2023-10-06
Release date:2024-05-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024
8QRE
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BU of 8qre by Molmil
Cholera holotoxin (wildtype)
Descriptor: ACETATE ION, Cholera enterotoxin subunit A, Cholera enterotoxin subunit B, ...
Authors:Mojica, N, Cordara, G, Krengel, U.
Deposit date:2023-10-06
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Using Vibrio natriegens for High-Yield Production of Challenging Expression Targets and for Protein Perdeuteration.
Biochemistry, 63, 2024
8QQG
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BU of 8qqg by Molmil
Structure of BRAF in Complex With Exarafenib (KIN-2787).
Descriptor: (3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide, CHLORIDE ION, Serine/threonine-protein kinase B-raf
Authors:Schmitt, A, Costanzi, E, Kania, R, Chen, Y.K.
Deposit date:2023-10-04
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.979 Å)
Cite:Structure of BRAF in Complex With Exarafenib (KIN-2787).
To Be Published
8QQF
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BU of 8qqf by Molmil
TBC1D23 PH domain complexed with STX16 TLY motif
Descriptor: GLYCEROL, PHOSPHATE ION, Syntaxin-16, ...
Authors:Kaufman, J.G, Owen, D.J.
Deposit date:2023-10-04
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Cargo selective vesicle tethering: The structural basis for binding of specific cargo proteins by the Golgi tether component TBC1D23.
Sci Adv, 10, 2024
8QQ5
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BU of 8qq5 by Molmil
Structure of WT SpNox DH domain: a bacterial NADPH oxidase.
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Oxidoreductase
Authors:Thepaut, M, Petit-Hartlein, I, Vermot, A, Humm, A.S, Dupeux, F, Marquez, J.A, Smith, S, Fieschi, F.
Deposit date:2023-10-03
Release date:2024-05-08
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray structure and enzymatic study of a bacterial NADPH oxidase highlight the activation mechanism of eukaryotic NOX.
Elife, 13, 2024
8QQ4
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BU of 8qq4 by Molmil
LTA4 hydrolase in complex with compound 6(R)
Descriptor: (2R)-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol, ACETATE ION, IMIDAZOLE, ...
Authors:Srinivas, H.
Deposit date:2023-10-03
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Amino Alcohols as Highly Potent, Selective, and Orally Efficacious Inhibitors of Leukotriene A4 Hydrolase.
J.Med.Chem., 66, 2023
8QQ1
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BU of 8qq1 by Molmil
SpNOX dehydrogenase domain, mutant F397W in complex with Flavin adenine dinucleotide (FAD)
Descriptor: BROMIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Oxidoreductase
Authors:Humm, A.S, Dupeux, F, Vermot, A, Petit-Harleim, I, Fieschi, F, Marquez, J.A.
Deposit date:2023-10-03
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.941 Å)
Cite:X-ray structure and enzymatic study of a bacterial NADPH oxidase highlight the activation mechanism of eukaryotic NOX.
Elife, 13, 2024
8QQ0
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BU of 8qq0 by Molmil
SARS-CoV-2 S protein bound to neutralising antibody UZGENT_A3
Descriptor: 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, ...
Authors:Remaut, H, Reiter, D, Vandenkerckhove, L, Acar, D.D, Witkowski, W, Gerlo, S.
Deposit date:2023-10-03
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Integrating artificial intelligence-based epitope prediction in a SARS-CoV-2 antibody discovery pipeline: caution is warranted.
Ebiomedicine, 100, 2024
8QPY
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BU of 8qpy by Molmil
Solution NMR structure of the peptidyl carrier domain TomAPCP from the Tomaymycin non-ribosomal peptide synthetase
Descriptor: Carrier protein TomAPCP
Authors:Karanth, M.N, Kirkpatrick, J.P, Carlomagno, T.
Deposit date:2023-10-03
Release date:2024-06-26
Last modified:2024-07-03
Method:SOLUTION NMR
Cite:The specificity of intermodular recognition in a prototypical nonribosomal peptide synthetase depends on an adaptor domain.
Sci Adv, 10, 2024
8QPX
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BU of 8qpx by Molmil
Crystal structure of Geodia cydonium Immunoglobulin-like domain of Receptor Tyrosine Kinase
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor tyrosine kinase (Fragment), ...
Authors:Lopez-Sagaseta, J, Urdiciain, A.
Deposit date:2023-10-03
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Geodia cydonium Immunoglobulin-like domain of Receptor Tyrosine Kinase
To Be Published
8QPR
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BU of 8qpr by Molmil
SARS-CoV-2 S protein bound to human neutralising antibody UZGENT_G5
Descriptor: 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, IgG heavy chain - FAB, ...
Authors:Remaut, H, Reiter, D, Vandenkerckhove, L, Acar, D.D, Witkowski, W, Gerlo, S.
Deposit date:2023-10-03
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Integrating artificial intelligence-based epitope prediction in a SARS-CoV-2 antibody discovery pipeline: caution is warranted.
Ebiomedicine, 100, 2024
8QPN
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BU of 8qpn by Molmil
LTA4 hydrolase in complex with compound 6(S)
Descriptor: (2S)-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol, ACETATE ION, IMIDAZOLE, ...
Authors:Srinivas, H.
Deposit date:2023-10-02
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Amino Alcohols as Highly Potent, Selective, and Orally Efficacious Inhibitors of Leukotriene A4 Hydrolase.
J.Med.Chem., 66, 2023
8QPK
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BU of 8qpk by Molmil
Cryo-EM Structure of Pre-B+5'ss Complex (core part)
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, 5'ss oligo, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R.
Deposit date:2023-10-02
Release date:2024-05-22
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
8QPE
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BU of 8qpe by Molmil
Cryo-EM Structure of Pre-B-like Complex (core part)
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, INOSITOL HEXAKISPHOSPHATE, Microfibrillar-associated protein 1, ...
Authors:Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R.
Deposit date:2023-10-01
Release date:2024-05-22
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
8QPC
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BU of 8qpc by Molmil
18mer DNA mimic Foldamer with an Aromatic linker in complex with Sac7d V26A/M29A protein
Descriptor: DNA-binding protein 7b, N-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-2-{[5-(trifluoromethyl)pyridin-2-yl]amino}pyridine-4-carboxamide
Authors:Deepak, D, Corvaglia, V, Wu, J, Huc, I.
Deposit date:2023-10-01
Release date:2023-11-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:DNA-Mimic Foldamer Recognition of a Chromosomal Protein
To Be Published
8QPB
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BU of 8qpb by Molmil
Cryo-EM Structure of Pre-B+ATP Complex (core part)
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, 5'ss oligo, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R.
Deposit date:2023-10-01
Release date:2024-05-22
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
8QPA
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BU of 8qpa by Molmil
Cryo-EM Structure of Pre-B+5'ssLNG Complex (core part)
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, 5'ss oligo, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R.
Deposit date:2023-10-01
Release date:2024-05-22
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
8QP9
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BU of 8qp9 by Molmil
Cryo-EM Structure of Pre-B+AMPPNP Complex (core part)
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, INOSITOL HEXAKISPHOSPHATE, Pre-mRNA-processing factor 6, ...
Authors:Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R.
Deposit date:2023-09-30
Release date:2024-05-22
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
8QP8
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BU of 8qp8 by Molmil
Cryo-EM Structure of Pre-B Complex (core part)
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, INOSITOL HEXAKISPHOSPHATE, Pre-mRNA-processing factor 6, ...
Authors:Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R.
Deposit date:2023-09-30
Release date:2024-05-22
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
8QOZ
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BU of 8qoz by Molmil
Cryo-EM Structure of Pre-B+5'ss+ATPgammaS Complex (core part)
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, 5'ss RNA oligo, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R.
Deposit date:2023-09-29
Release date:2024-05-22
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024

223532

数据于2024-08-07公开中

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