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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
6Y93
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BU of 6y93 by Molmil
Crystal structure of the DNA-binding domain of the Nucleoid Occlusion Factor (Noc) complexed to the Noc-binding site (NBS)
Descriptor: Noc Binding Site (NBS), Nucleoid occlusion protein
Authors:Jalal, A.S.B, Tran, N.T, Stevenson, C.E.M, Chan, E, Lo, R, Tan, X, Noy, A, Lawson, D.M, Le, T.B.K.
Deposit date:2020-03-06
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Diversification of DNA-Binding Specificity by Permissive and Specificity-Switching Mutations in the ParB/Noc Protein Family.
Cell Rep, 32, 2020
6Y8L
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BU of 6y8l by Molmil
Mycobacterium thermoresistibile GyrB21 in complex with novobiocin
Descriptor: 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN, ...
Authors:Henderson, S.R, Stevenson, C.E.M, Malone, B, Zholnerovych, Y, Mitchenall, L.A, Pichowicz, M, McGarry, D.H, Cooper, I.R, Charrier, C, Salisbury, A, Lawson, D.M, Maxwell, A.
Deposit date:2020-03-05
Release date:2020-08-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase.
J.Antimicrob.Chemother., 75, 2020
5NPP
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BU of 5npp by Molmil
2.22A STRUCTURE OF THIOPHENE2 AND GSK945237 WITH S.AUREUS DNA GYRASE AND DNA
Descriptor: (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one, DIMETHYL SULFOXIDE, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ...
Authors:Bax, B.D, Chan, P.F, Stavenger, R.A.
Deposit date:2017-04-18
Release date:2017-07-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5NQH
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BU of 5nqh by Molmil
Structure of the human Fe65-PTB2 homodimer
Descriptor: Amyloid beta A4 precursor protein-binding family B member 1, GLYCEROL, SULFATE ION
Authors:Feilen, L.P, Haubrich, K, Sinning, I, Konietzko, U, Kins, S, Simon, B, Wild, K.
Deposit date:2017-04-20
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fe65-PTB2 Dimerization Mimics Fe65-APP Interaction.
Front Mol Neurosci, 10, 2017
8G50
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BU of 8g50 by Molmil
E. coli DHFR complex with NADP+ and folate: EF-X excited state model by Laue diffraction (electric field along b axis; 8-fold extrapolation of structure factor differences)
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Greisman, J.B, Dalton, K.M, Brookner, D.E, Klureza, M.A, Hekstra, D.R.
Deposit date:2023-02-10
Release date:2024-01-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
6TD2
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BU of 6td2 by Molmil
Mus musculus Acetylcholinesterase in complex with N-(2-(diethylamino)ethyl)-1-(4-(trifluoromethyl)phenyl)methanesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Forsgren, N, Ekstrom, F.
Deposit date:2019-11-07
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Physical Mechanisms Governing Substituent Effects on Arene-Arene Interactions in a Protein Milieu.
J.Phys.Chem.B, 124, 2020
8BNA
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BU of 8bna by Molmil
BINDING OF HOECHST 33258 TO THE MINOR GROOVE OF B-DNA
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Pjura, P.E, Grzeskowiak, K, Dickerson, R.E.
Deposit date:1986-08-29
Release date:1987-01-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Binding of Hoechst 33258 to the minor groove of B-DNA.
J.Mol.Biol., 197, 1987
6Q86
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BU of 6q86 by Molmil
Structure of Fucosylated D-antimicrobial peptide SB4 in complex with the Fucose-binding lectin PA-IIL at 2.008 Angstrom resolution
Descriptor: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ...
Authors:Baeriswyl, S, Stocker, A, Reymond, J.L.
Deposit date:2018-12-14
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.008 Å)
Cite:X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.
Acs Chem.Biol., 14, 2019
6VO3
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BU of 6vo3 by Molmil
AMC009 SOSIP.v4.2 in complex with PGV04 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AMC009 SOSIP.v4.2 envelope glycoprotein gp120, ...
Authors:Cottrell, C.A, de Val, N, Ward, A.B.
Deposit date:2020-01-29
Release date:2020-09-23
Last modified:2020-12-09
Method:ELECTRON MICROSCOPY (4.25 Å)
Cite:Neutralizing Antibody Responses Induced by HIV-1 Envelope Glycoprotein SOSIP Trimers Derived from Elite Neutralizers.
J.Virol., 94, 2020
6TLD
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BU of 6tld by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a triazole hydroxamate inhibitor 2
Descriptor: DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ...
Authors:Shaik, T.B, Romier, C.
Deposit date:2019-12-02
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structure-Based Design, Synthesis, and Biological Evaluation of Triazole-Based smHDAC8 Inhibitors.
Chemmedchem, 15, 2020
6TZ8
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BU of 6tz8 by Molmil
Crystal structure of Cryptococcus neoformans Calceineurin A, Calcineurin B, and FKBP12 with FK-506
Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, Calcineurin subunit B, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-08-10
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
8TP7
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BU of 8tp7 by Molmil
H2 hemagglutinin (A/Singapore/1/1957) in complex with Sa-targeting Fab 4-1-1G03
Descriptor: 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, Heavy chain of monoclonal antibody 4-1-1G03, ...
Authors:Yang, Y.R, Han, J, Perrett, H.R, Ward, A.B.
Deposit date:2023-08-04
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Immune memory shapes human polyclonal antibody responses to H2N2 vaccination.
Biorxiv, 2023
8TP9
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BU of 8tp9 by Molmil
H2 hemagglutinin (A/Singapore/1/1957) in complex with medial-junction-targeting Fab 2-2-1G06
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 2-2-1G06, ...
Authors:Yang, Y.R, Han, J, Perrett, H.R, Ward, A.B.
Deposit date:2023-08-04
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Immune memory shapes human polyclonal antibody responses to H2N2 vaccination.
Biorxiv, 2023
8TP4
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BU of 8tp4 by Molmil
H2 hemagglutinin (A/Singapore/1/1957) in complex with RBS-targeting Fab 1-1-1E04
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 1-1-1E04, ...
Authors:Yang, Y.R, Han, J, Perrett, H.R, Ward, A.B.
Deposit date:2023-08-04
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Immune memory shapes human polyclonal antibody responses to H2N2 vaccination.
Biorxiv, 2023
8TP2
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BU of 8tp2 by Molmil
H2 hemagglutinin (A/Singapore/1/1957) in complex with RBS-targeting 1-1-1F05
Descriptor: 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, Heavy chain of Fab 1-1-1F05, ...
Authors:Yang, Y.R, Han, J, Perrett, H.R, Ward, A.B.
Deposit date:2023-08-04
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Immune memory shapes human polyclonal antibody responses to H2N2 vaccination.
Biorxiv, 2023
8TP5
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BU of 8tp5 by Molmil
H1 hemagglutinin (NC99) in complex with RBS-targeting Fab 1-1-1E04
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 1-1-1E04, ...
Authors:Yang, Y.R, Han, J, Perrett, H.R, Ward, A.B.
Deposit date:2023-08-04
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Immune memory shapes human polyclonal antibody responses to H2N2 vaccination.
Biorxiv, 2023
5LK9
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BU of 5lk9 by Molmil
Dehaloperoxidase B from Amphitrite ornata: indazole complex
Descriptor: 1H-indazole, Dehaloperoxidase B, GLYCEROL, ...
Authors:Chicano, T.M, Dworkowski, F.S.N, Hough, M.A.
Deposit date:2016-07-21
Release date:2017-08-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Dehaloperoxidase B from Amphitrite ornata: indazole complex
to be published
5LZL
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BU of 5lzl by Molmil
Pyrobaculum calidifontis 5-aminolaevulinic acid dehydratase
Descriptor: Delta-aminolevulinic acid dehydratase, ZINC ION
Authors:Azim, N, Erskine, P.T, Guo, J, Cooper, J.B.
Deposit date:2016-09-30
Release date:2016-10-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.47 Å)
Cite:Structural studies of substrate and product complexes of 5-aminolaevulinic acid dehydratase from humans, Escherichia coli and the hyperthermophile Pyrobaculum calidifontis.
Acta Crystallogr D Struct Biol, 73, 2017
8OL1
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BU of 8ol1 by Molmil
cGAS-Nucleosome in complex with SPSB3-ELOBC (composite structure)
Descriptor: Cyclic GMP-AMP synthase, DNA (145-MER), Elongin-B, ...
Authors:Xu, P.B, Ablasser, A.
Deposit date:2023-03-29
Release date:2024-02-14
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The CRL5-SPSB3 ubiquitin ligase targets nuclear cGAS for degradation.
Nature, 627, 2024
7A3I
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BU of 7a3i by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, LMC375
Descriptor: CHLORIDE ION, Dipeptidyl peptidase 8, SODIUM ION, ...
Authors:Ross, B.H, Huber, R.
Deposit date:2020-08-18
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Development of 4-Oxo-beta-Lactams as Novel Inhibitors of Dipeptidyl Peptidases 8 and 9
To Be Published
7A3K
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BU of 7a3k by Molmil
Crystal structure of DPP8 in complex with a b-lactam based inhibitor, A296.1
Descriptor: 1-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]azetidin-2-one, CHLORIDE ION, Dipeptidyl peptidase 8, ...
Authors:Ross, B.H, Huber, R.
Deposit date:2020-08-18
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and Development of 4-Oxo-beta-Lactams as Novel Inhibitors of Dipeptidyl Peptidases 8 and 9
To Be Published
8Q7R
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BU of 8q7r by Molmil
Ubiquitin ligation to substrate by a cullin-RING E3 ligase & Cdc34: NEDD8-CUL2-RBX1-ELOB/C-FEM1C with trapped UBE2R2~donor UB-Sil1 peptide
Descriptor: 5-azanyl-1-oxidanyl-pentan-2-one, Cullin-2, E3 ubiquitin-protein ligase RBX1, ...
Authors:Liwocha, J, Prabu, J.R, Kleiger, G, Schulman, B.A.
Deposit date:2023-08-16
Release date:2024-02-21
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Cullin-RING ligases employ geometrically optimized catalytic partners for substrate targeting.
Mol.Cell, 84, 2024
8PSH
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BU of 8psh by Molmil
HIGH RESOLUTION NMR STRUCTURE OF THE STEREOREGULAR (ALL-RP)-PHOSPHOROTHIOATE-DNA/RNA HYBRID D (G*PS*C*PS*G*PS*T*PS*C*PS*A*PS*G*PS*G)R(CCUGACGC), MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA (5'-D(*DGP*(SC)P*(GS)P*(PST)P*(SC)P*(AS)P*(GS)P*(GS))-3'), RNA (5'-R(*CP*CP*UP*GP*AP*CP*GP*C)-3')
Authors:Bachelin, M, Hessler, G, Kurz, G, Hacia, J.G, Dervan, P.B, Kessler, H.
Deposit date:1997-10-13
Release date:1998-05-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of a Stereoregular Phosphorothioate DNA/RNA Duplex
Nat.Struct.Biol., 5, 1998
6U59
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BU of 6u59 by Molmil
HIV-1 B41 SOSIP.664 in complex with rabbit antibody 13B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SOSIP.664 gp120,SOSIP.664 gp120, ...
Authors:Yang, Y.R, Ward, A.B.
Deposit date:2019-08-27
Release date:2020-01-29
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:Autologous Antibody Responses to an HIV Envelope Glycan Hole Are Not Easily Broadened in Rabbits.
J.Virol., 94, 2020

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