6MNF
| Anti-HIV-1 Fab 2G12 + Man8 re-refinement | Descriptor: | Fab 2G12, light chain, Fab 2g12, ... | Authors: | Calarese, D.A, Stanfield, R.L, Wilson, I.A. | Deposit date: | 2018-10-01 | Release date: | 2018-10-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.758 Å) | Cite: | Dissection of the carbohydrate specificity of the broadly neutralizing anti-HIV-1 antibody 2G12. Proc. Natl. Acad. Sci. U.S.A., 102, 2005
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8QQ0
| 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
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7NXV
| Crystal structure of the complex of DNase I/G-actin/PPP1R15A_582-621 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | Authors: | Yan, Y, Ron, D. | Deposit date: | 2021-03-19 | Release date: | 2021-09-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Higher-order phosphatase-substrate contacts terminate the integrated stress response. Nat.Struct.Mol.Biol., 28, 2021
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8QPR
| 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
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6QYO
| Structure of MBP-Mcl-1 in complex with compound 18a | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-09 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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6WRY
| CRYSTAL STRUCTURE OF INOSITOL POLYPHOSPHATE 1-PHOSPHATASE INPP1 IN COMPLEX GADOLINIUM AFTER ADDITION OF INOSITOL 1,3,4-TRISPHOSPHATE AT 2.5 ANGSTROM RESOLUTION | Descriptor: | GADOLINIUM ATOM, Inositol polyphosphate 1-phosphatase, SULFATE ION | Authors: | Dollins, D.R, Endo-Streeter, S, York, J.D. | Deposit date: | 2020-04-30 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A structural basis for lithium and substrate binding of an inositide phosphatase. J.Biol.Chem., 296, 2020
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8F7Z
| VRC34.01_mm28 bound to fusion peptide | Descriptor: | HIV-1 Env Fusion Peptide, VRC34_m228 Light Chain, VRC34_mm28 Heavy Chain | Authors: | Olia, A.S, Kwong, P.D. | Deposit date: | 2022-11-21 | Release date: | 2023-11-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Antibody-directed evolution reveals a mechanism for enhanced neutralization at the HIV-1 fusion peptide site. Nat Commun, 14, 2023
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6X1Y
| Mre11 dimer in complex with small molecule modulator PFMI | Descriptor: | (5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclease SbcCD subunit D | Authors: | Arvai, A.S, Moiani, D, Tainer, J.A. | Deposit date: | 2020-05-19 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Fragment- and structure-based drug discovery for developing therapeutic agents targeting the DNA Damage Response. Prog.Biophys.Mol.Biol., 163, 2021
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6N1V
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8DCC
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8CXN
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6WG7
| Coordinates of NanR dimer fitted in Hexameric NanR-DNA hetero-complex cryo-EM map | Descriptor: | DNA (35-MER), HTH-type transcriptional repressor NanR | Authors: | Hariprasad, V, Horne, C, Santosh, P, Amy, H, Emre, B, Rachel, N, Michael, G, Georg, R, Borries, D, Renwick, D. | Deposit date: | 2020-04-05 | Release date: | 2021-03-10 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (8.3 Å) | Cite: | Mechanism of NanR gene repression and allosteric induction of bacterial sialic acid metabolism. Nat Commun, 12, 2021
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6WCU
| Crystal structure of coiled coil region of human septin 5 | Descriptor: | Septin-5 | Authors: | Cabrejos, D.A.L, Cavini, I, Sala, F.A, Valadares, N.F, Pereira, H.M, Brandao-Neto, J, Nascimento, A.F.Z, Uson, I, Araujo, A.P.U, Garratt, R.C. | Deposit date: | 2020-03-31 | Release date: | 2021-03-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Orientational Ambiguity in Septin Coiled Coils and its Structural Basis. J.Mol.Biol., 433, 2021
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6ONF
| Crystal structure of HIV-1 LM/HT Clade A/E CRF01 gp120 core in complex with (S)-MCG-III-188-A02. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, clade A/E 93TH057 HIV-1 gp120 core, ... | Authors: | Tolbert, W.D, Sherburn, R, Pazgier, M. | Deposit date: | 2019-04-22 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.842 Å) | Cite: | A New Family of Small-Molecule CD4-Mimetic Compounds Contacts Highly Conserved Aspartic Acid 368 of HIV-1 gp120 and Mediates Antibody-Dependent Cellular Cytotoxicity. J.Virol., 93, 2019
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8CTE
| Class 2 of erythrocyte ankyrin-1 complex (Composite map) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Ammonium transporter Rh type A, Ankyrin-1, ... | Authors: | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | Deposit date: | 2022-05-14 | Release date: | 2022-07-20 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Architecture of the human erythrocyte ankyrin-1 complex. Nat.Struct.Mol.Biol., 29, 2022
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6WHO
| Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WHN
| Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WHQ
| Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6ON6
| Crystal Structure of the RIG-5 IG1 homodimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, NeuRonal IgCAM-5 | Authors: | Cheng, S, Kurleto, J.D, Ozkan, E. | Deposit date: | 2019-04-20 | Release date: | 2019-05-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.423 Å) | Cite: | Family of neural wiring receptors in bilaterians defined by phylogenetic, biochemical, and structural evidence. Proc.Natl.Acad.Sci.USA, 116, 2019
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6QSS
| Crystal Structure of Ignicoccus islandicus malate dehydrogenase co-crystallized with 10 mM Tb-Xo4 | Descriptor: | CHLORIDE ION, Malate dehydrogenase, TERBIUM(III) ION, ... | Authors: | Roche, J, Girard, E, Madern, D. | Deposit date: | 2019-02-21 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | SOLUTION SCATTERING (1.892 Å), X-RAY DIFFRACTION | Cite: | The archaeal LDH-like malate dehydrogenase from Ignicoccus islandicus displays dual substrate recognition, hidden allostery and a non-canonical tetrameric oligomeric organization. J.Struct.Biol., 208, 2019
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8SM2
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6NRW
| Crystal structure of Dpr1 IG1 bound to DIP-eta IG1 | 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: | Cheng, S, Park, Y.J, Kurleto, J.D, Ozkan, E. | Deposit date: | 2019-01-24 | Release date: | 2019-02-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis of synaptic specificity by immunoglobulin superfamily receptors in Drosophila. Elife, 8, 2019
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6YUP
| Heterotetrameric structure of the rBAT-b(0,+)AT1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neutral and basic amino acid transport protein rBAT, ... | Authors: | Wu, D, Safarian, S, Michel, H. | Deposit date: | 2020-04-27 | Release date: | 2021-01-20 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis for amino acid exchange by a human heteromeric amino acid transporter. Proc.Natl.Acad.Sci.USA, 117, 2020
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7ZAV
| GPC3-Unc5D octamer structure and role in cell migration | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3 | Authors: | Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E. | Deposit date: | 2022-03-22 | Release date: | 2022-11-02 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | GPC3-Unc5 receptor complex structure and role in cell migration. Cell, 185, 2022
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7ZA3
| GPC3-Unc5D octamer structure and role in cell migration | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ... | Authors: | Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E. | Deposit date: | 2022-03-21 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | GPC3-Unc5 receptor complex structure and role in cell migration. Cell, 185, 2022
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