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8F2B
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BU of 8f2b by Molmil
Amylin 3 Receptor in complex with Gs and Pramlintide analogue peptide San45
Descriptor: (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
Authors:Cao, J, Sexton, P.M, Wootten, D.L, Belousoff, M.J.
Deposit date:2022-11-07
Release date:2023-08-02
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2 Å)
Cite:Structural insight into selectivity of amylin and calcitonin receptor agonists.
Nat.Chem.Biol., 20, 2024
8F2A
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BU of 8f2a by Molmil
Human Amylin3 Receptor in complex with Gs and Pramlintide analogue peptide San385 (Cluster 5 conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcitonin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cao, J, Sexton, P.M, Wootten, D.L, Radostin, D.
Deposit date:2022-11-07
Release date:2023-08-02
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Structural insight into selectivity of amylin and calcitonin receptor agonists.
Nat.Chem.Biol., 20, 2024
8F27
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Mirror-image DNA containing 2'-OMe-L-uridine residue
Descriptor: Mirror-image DNA (5'-D(*(0DG)P*(0MU)P*(0DG)P*(0DT)P*(0DA)P*(0DC)P*(0DA)P*(0DC))-3'), SULFATE ION
Authors:Zhang, W, Dantsu, Y.
Deposit date:2022-11-07
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Derivatization of Mirror-Image l-Nucleic Acids with 2'-OMe Modification for Thermal and Structural Stabilization.
Chembiochem, 24, 2023
8F25
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BU of 8f25 by Molmil
Cryo-EM structure of Lumazine synthase nanoparticle linked to VP8* antigen
Descriptor: 6,7-dimethyl-8-ribityllumazine synthase
Authors:Mangala Prasad, V, Lee, K.K.
Deposit date:2022-11-07
Release date:2023-04-12
Last modified:2024-01-10
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:mRNA-based VP8* nanoparticle vaccines against rotavirus are highly immunogenic in rodents.
Npj Vaccines, 8, 2023
8F24
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BU of 8f24 by Molmil
Mirror-image RNA octamer containing 2'-OMe-L-uridine
Descriptor: Mirror-image RNA 0G-XEC-0G-0U-0A-0C-0A-0C, SULFATE ION
Authors:Dantsu, Y, Zhang, W.
Deposit date:2022-11-07
Release date:2023-04-12
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Derivatization of Mirror-Image l-Nucleic Acids with 2'-OMe Modification for Thermal and Structural Stabilization.
Chembiochem, 24, 2023
8F20
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BU of 8f20 by Molmil
Structure of an A-tract B-DNA Dodecamer: 5'-CGCAAAAAAGCG-3
Descriptor: DNA (5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*TP*TP*TP*TP*TP*GP*CP*G)-3')
Authors:Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-11-06
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8F1Y
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BU of 8f1y by Molmil
EGFR kinase in complex with poziotinib
Descriptor: 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one, CITRIC ACID, Epidermal growth factor receptor
Authors:Beyett, T.S, Eck, M.J.
Deposit date:2022-11-06
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:EGFR kinase in complex with poziotinib
To be published
8F1X
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BU of 8f1x by Molmil
EGFR kinase in complex with mobocertinib (TAK-788)
Descriptor: Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
Authors:Beyett, T.S, Eck, M.J.
Deposit date:2022-11-06
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:EGFR kinase in complex with mobocertinib (TAK-788)
To be published
8F1W
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BU of 8f1w by Molmil
EGFR(T790M/V948R) kinase in complex with poziotinib
Descriptor: 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one, Epidermal growth factor receptor
Authors:Beyett, T.S, Eck, M.J.
Deposit date:2022-11-06
Release date:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:EGFR(T790M/V948R) kinase in complex with poziotinib
To be published
8F1V
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BU of 8f1v by Molmil
A benzimidazole (DB1476) sequence-specific recognition of 5'-CGCAAAAAAGCG-3' in B-orientation
Descriptor: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*TP*TP*TP*TP*TP*GP*CP*G)-3'), ...
Authors:Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-11-06
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8F1S
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BU of 8f1s by Molmil
A benzimidazole (DB1476) sequence-specific recognition of 5'-CGCAAAAAAGCG-3' in A-orientation
Descriptor: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*TP*TP*TP*TP*TP*GP*CP*G)-3'), ...
Authors:Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-11-06
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8F1G
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BU of 8f1g by Molmil
Crystal structure of human WDR5 in complex with compound WM662
Descriptor: (2S)-2-({(2S)-3-(3'-chloro[1,1'-biphenyl]-4-yl)-1-oxo-1-[(1H-tetrazol-5-yl)amino]propan-2-yl}oxy)propanoic acid, GLYCEROL, SULFATE ION, ...
Authors:Liu, H.
Deposit date:2022-11-05
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Discovery of Potent Small-Molecule Inhibitors of WDR5-MYC Interaction.
Acs Chem.Biol., 18, 2023
8F1F
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BU of 8f1f by Molmil
Structure of K48-linked tri-ubiquitin in complex with cyclic peptide
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Non-proteinogenic cyclic peptide (inhibitor), ...
Authors:Lubkowski, J, Fushman, D, Lemma, B.
Deposit date:2022-11-05
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mechanism of selective recognition of Lys48-linked polyubiquitin by macrocyclic peptide inhibitors of proteasomal degradation.
Nat Commun, 14, 2023
8F11
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BU of 8f11 by Molmil
T4 lysozyme with a 2,6-diazaadamantane nitroxide (DZD) spin label
Descriptor: 1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Wilson, M.A, Madzelan, P, Rajca, A, Stein, R, Yang, Z.
Deposit date:2022-11-04
Release date:2023-02-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Cucurbit[7]uril Enhances Distance Measurements of Spin-Labeled Proteins.
J.Am.Chem.Soc., 145, 2023
8F10
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BU of 8f10 by Molmil
Structure of the MDM2 P53 binding domain in complex with H102, an all-D Helicon Polypeptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, ...
Authors:Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H.
Deposit date:2022-11-04
Release date:2023-02-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display
Chemrxiv, 2023
8F0N
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BU of 8f0n by Molmil
Wobble Beetroot (A16U-U38G) dimer bound to DFHO
Descriptor: (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, POTASSIUM ION, RNA (49-MER)
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2022-11-03
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Co-crystal structures of the fluorogenic aptamer Beetroot show that close homology may not predict similar RNA architecture.
Nat Commun, 14, 2023
8F0M
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BU of 8f0m by Molmil
Monobody 12D5 bound to KRAS(G12D)
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
Authors:Hattori, T, Glasser, E, Akkapeddi, P, Ketavarapu, G, Teng, K.W, Koide, A, Koide, S.
Deposit date:2022-11-03
Release date:2023-07-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Exploring switch II pocket conformation of KRAS(G12D) with mutant-selective monobody inhibitors.
Proc.Natl.Acad.Sci.USA, 120, 2023
8F0L
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BU of 8f0l by Molmil
Crystal Structure of the Human T cell Receptor CD3(EPSILON) N-Terminal Peptide Complexed with ADI-26906 FAB
Descriptor: ADI-26906 Fab Heavy Chain, ADI-26906 Fab Light Chain, GLYCEROL, ...
Authors:Battles, M.B, Welin, M.
Deposit date:2022-11-03
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure-based engineering of a novel CD3 epsilon-targeting antibody for reduced polyreactivity.
Mabs, 15, 2023
8F0K
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BU of 8f0k by Molmil
Human Amylin3 Receptor in complex with Gs and Pramlintide analogue peptide San385
Descriptor: (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
Authors:Cao, J, Sexton, P.M, Wootten, D.L.
Deposit date:2022-11-03
Release date:2023-08-02
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:Structural insight into selectivity of amylin and calcitonin receptor agonists.
Nat.Chem.Biol., 20, 2024
8F0J
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BU of 8f0j by Molmil
Calcitonin Receptor in complex with Gs and Pramlintide analogue peptide San45
Descriptor: (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
Authors:Cao, J, Sexton, P.M, Wootten, D.L, Belousoff, M.J.
Deposit date:2022-11-03
Release date:2023-08-02
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2 Å)
Cite:Structural insight into selectivity of amylin and calcitonin receptor agonists.
Nat.Chem.Biol., 20, 2024
8F0I
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BU of 8f0i by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with human antibody COVA309-22
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA309-22 heavy chain, COVA309-22 light chain, ...
Authors:Yuan, M, Wilson, I.A.
Deposit date:2022-11-03
Release date:2023-09-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Broad SARS-CoV-2 neutralization by monoclonal and bispecific antibodies derived from a Gamma-infected individual.
Iscience, 26, 2023
8F0H
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BU of 8f0h by Molmil
Structure of SARS-CoV-2 spike with antibody Fabs 2A10 and 1H2 (Local refinement of the RBD and Fabs 1H2 and 2A10)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab 1H2 heavy chain, Antibody Fab 1H2 light chain, ...
Authors:Yu, X, Zyla, D, Hastie, K.M, Saphire, E.O.
Deposit date:2022-11-02
Release date:2023-05-03
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Potent Omicron-neutralizing antibodies isolated from a patient vaccinated 6 months before Omicron emergence.
Cell Rep, 42, 2023
8F0G
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BU of 8f0g by Molmil
Structure of SARS-CoV-2 Omicron BA.1 spike in complex with antibody Fab 1C3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 1C3 Fab Heavy Chain, ...
Authors:Yu, X, Zyla, D, Hastie, K.M, Saphire, E.O.
Deposit date:2022-11-02
Release date:2023-05-03
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Potent Omicron-neutralizing antibodies isolated from a patient vaccinated 6 months before Omicron emergence.
Cell Rep, 42, 2023
8F0F
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BU of 8f0f by Molmil
HIV-1 wild type protease with GRL-110-19A, a chloroacetamide derivative based on Darunavir as P2' group
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(2-chloroacetamido)benzene-1-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ...
Authors:Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T.
Deposit date:2022-11-02
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Evaluation of darunavir-derived HIV-1 protease inhibitors incorporating P2' amide-derivatives: Synthesis, biological evaluation and structural studies.
Bioorg.Med.Chem.Lett., 83, 2023
8F0E
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BU of 8f0e by Molmil
N-terminal WD40 domain of beta'-COPI subunit with four chains in the asymmetric unit
Descriptor: Coatomer subunit beta'
Authors:Dey, D, Hasan, S.S.
Deposit date:2022-11-02
Release date:2023-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Strategies for rapid production of crystallization quality coatomer WD40 domains.
Protein Expr.Purif., 212, 2023

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