5CPT
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![BU of 5cpt by Molmil](/molmil-images/mine/5cpt) | Disproportionating enzyme 1 from Arabidopsis - beta cyclodextrin soak | Descriptor: | 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ... | Authors: | O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M. | Deposit date: | 2015-07-21 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1). J.Biol.Chem., 290, 2015
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8DHE
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7NY8
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![BU of 7ny8 by Molmil](/molmil-images/mine/7ny8) | Affimer K69 - KRAS protein complex | Descriptor: | Affimer K69, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Turner, A.L, Trinh, C.H, Haza, K.Z, Rao, A, Martin, H.L, Tiede, C, Edwards, T.A, McPherson, M.J, Tomlinson, D.C. | Deposit date: | 2021-03-21 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | RAS-inhibiting biologics identify and probe druggable pockets including an SII-alpha 3 allosteric site. Nat Commun, 12, 2021
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5U7O
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![BU of 5u7o by Molmil](/molmil-images/mine/5u7o) | Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-626529 in Complex with Human Antibodies PGT122 and 35O22 at 3.8 Angstrom | Descriptor: | 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pancera, M, Lai, Y.-T, Kwong, P.D. | Deposit date: | 2016-12-12 | Release date: | 2017-08-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.031 Å) | Cite: | Crystal structures of trimeric HIV envelope with entry inhibitors BMS-378806 and BMS-626529. Nat. Chem. Biol., 13, 2017
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6VQZ
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![BU of 6vqz by Molmil](/molmil-images/mine/6vqz) | HLA-B*27:05 presenting an HIV-1 6mer peptide | Descriptor: | 6-mer peptide, ARGININE, Beta-2-microglobulin, ... | Authors: | Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N. | Deposit date: | 2020-02-06 | Release date: | 2021-02-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Epitope length variants balance protective immune responses and viral escape in HIV-1 infection Cell Rep, 38, 2022
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6Q5M
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![BU of 6q5m by Molmil](/molmil-images/mine/6q5m) | Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex*-L24Dab | Descriptor: | CC-Hex*-L24Dab, SODIUM ION | Authors: | Wood, C.W, Beesley, J.L, Rhys, G.G, Brady, R.L, Woolfson, D.N. | Deposit date: | 2018-12-09 | Release date: | 2019-05-22 | Last modified: | 2019-06-19 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Navigating the Structural Landscape of De Novo alpha-Helical Bundles. J.Am.Chem.Soc., 141, 2019
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7NT6
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![BU of 7nt6 by Molmil](/molmil-images/mine/7nt6) | CryoEM structure of the Nipah virus nucleocapsid spiral clam-shaped assembly | Descriptor: | Nucleoprotein, RNA (42-MER), RNA (48-MER) | Authors: | Ker, D.S, Jenkins, H.T, Greive, S.J, Antson, A.A. | Deposit date: | 2021-03-09 | Release date: | 2021-07-07 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | CryoEM structure of the Nipah virus nucleocapsid assembly. Plos Pathog., 17, 2021
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6YX0
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![BU of 6yx0 by Molmil](/molmil-images/mine/6yx0) | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | Descriptor: | 4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid, PWQ-THR-ARG-LEU, SH3 and multiple ankyrin repeat domains protein 1 | Authors: | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | Deposit date: | 2020-04-30 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation. Chem Sci, 12, 2021
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6FS2
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![BU of 6fs2 by Molmil](/molmil-images/mine/6fs2) | MCL1 in complex with indole acid ligand | Descriptor: | 7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Hargreaves, D. | Deposit date: | 2018-02-18 | Release date: | 2018-12-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia. Nat Commun, 9, 2018
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4WGL
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![BU of 4wgl by Molmil](/molmil-images/mine/4wgl) | Crystal structure of a GroEL D83A/R197A double mutant | Descriptor: | 60 kDa chaperonin | Authors: | Yang, D, Fei, X, LaRonde, N.A, Beckett, D, Lund, P.A, Lorimer, G.H. | Deposit date: | 2014-09-19 | Release date: | 2015-09-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Crystal structure of a GroEL D83A/R197A double mutant To Be Published
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6ZPJ
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![BU of 6zpj by Molmil](/molmil-images/mine/6zpj) | Crystal structure of the unconventional kinetochore protein Leishmania mexicana KKT4 coiled coil domain | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, IMIDAZOLE, Leishmania mexicana KKT4 | Authors: | Ludzia, P, Lowe, E.D, Marciano, G, Mohammed, S, Redfield, C, Akiyoshi, B. | Deposit date: | 2020-07-08 | Release date: | 2020-10-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural characterization of KKT4, an unconventional microtubule-binding kinetochore protein. Structure, 29, 2021
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5LP5
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![BU of 5lp5 by Molmil](/molmil-images/mine/5lp5) | Complex between Penicillin-Binding Protein (PBP2) and MreC from Helicobacter pylori | Descriptor: | Penicillin-binding protein 2 (Pbp2), Rod shape-determining protein (MreC) | Authors: | Contreras-Martel, C, Martins, A, Ecobichon, C, Maragno, D.M, Mattei, P.J, El Ghachi, M, Hicham, S, Hardouin, P, Boneca, I.G, Dessen, A. | Deposit date: | 2016-08-11 | Release date: | 2017-08-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Molecular architecture of the PBP2-MreC core bacterial cell wall synthesis complex. Nat Commun, 8, 2017
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7NT5
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![BU of 7nt5 by Molmil](/molmil-images/mine/7nt5) | CryoEM structure of the Nipah virus nucleocapsid single helical turn assembly | Descriptor: | Nucleoprotein, RNA (78-MER) | Authors: | Ker, D.S, Jenkins, H.T, Greive, S.J, Antson, A.A. | Deposit date: | 2021-03-09 | Release date: | 2021-07-07 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | CryoEM structure of the Nipah virus nucleocapsid assembly. Plos Pathog., 17, 2021
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6ZIO
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6QAQ
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![BU of 6qaq by Molmil](/molmil-images/mine/6qaq) | ERK2 mini-fragment binding | Descriptor: | Mitogen-activated protein kinase 1, SULFATE ION, thiophen-3-ylmethylazanium | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | Deposit date: | 2018-12-19 | Release date: | 2019-03-27 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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6QAL
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![BU of 6qal by Molmil](/molmil-images/mine/6qal) | ERK2 mini-fragment binding | Descriptor: | 1,1-bis(oxidanylidene)thietan-3-ol, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | Deposit date: | 2018-12-19 | Release date: | 2019-03-27 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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5LOY
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7O9J
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![BU of 7o9j by Molmil](/molmil-images/mine/7o9j) | Crystal structure of DyP-type peroxidase from Dictyostelium discoideum in complex with an activated form of oxygen | Descriptor: | 1,2-ETHANEDIOL, DyPA, OXYGEN MOLECULE, ... | Authors: | Rai, A, Fedorov, R, Manstein, D.J. | Deposit date: | 2021-04-16 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Biochemical Characterization of a Dye-Decolorizing Peroxidase from Dictyostelium discoideum . Int J Mol Sci, 22, 2021
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8FUH
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7O9L
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![BU of 7o9l by Molmil](/molmil-images/mine/7o9l) | Dictyostelium discoideum dye decolorizing peroxidase DyPA in complex with cyanide. | Descriptor: | 1,2-ETHANEDIOL, CYANIDE ION, DyPA, ... | Authors: | Rai, A, Fedorov, R, Manstein, D.J. | Deposit date: | 2021-04-16 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Biochemical Characterization of a Dye-Decolorizing Peroxidase from Dictyostelium discoideum . Int J Mol Sci, 22, 2021
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7KF4
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![BU of 7kf4 by Molmil](/molmil-images/mine/7kf4) | Crystal structure from SARS-CoV-2 NendoU NSP15 | Descriptor: | CITRIC ACID, Uridylate-specific endoribonuclease | Authors: | Godoy, A.S, Nakamura, A.M, Pereira, H.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliveira, K.I.Z, Oliva, G. | Deposit date: | 2020-10-13 | Release date: | 2020-12-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 2023
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7BO9
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7BO8
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![BU of 7bo8 by Molmil](/molmil-images/mine/7bo8) | A hexameric de novo coiled-coil assembly: CC-Type2-(VaYd)4-Y3F-W19(BrPhe)-Y24F. | Descriptor: | 1,2-ETHANEDIOL, CC-Type2-(VaYd)4-Y3F-W19(BrPhe)-Y24F, OXAMIC ACID | Authors: | Rhys, G.G, Brady, R.L, Woolfson, D.N. | Deposit date: | 2021-01-24 | Release date: | 2021-05-19 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | How Coiled-Coil Assemblies Accommodate Multiple Aromatic Residues. Biomacromolecules, 22, 2021
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7BOA
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6YLT
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![BU of 6ylt by Molmil](/molmil-images/mine/6ylt) | Translation initiation factor 4E in complex with 3-MeBn7GpppG mRNA 5' cap analog | Descriptor: | Eukaryotic translation initiation factor 4E, [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate | Authors: | Kubacka, D, Wojcik, R, Baranowski, M.R, Kowalska, J, Jemielity, J. | Deposit date: | 2020-04-07 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Novel N7-Arylmethyl Substituted Dinucleotide mRNA 5' cap Analogs: Synthesis and Evaluation as Modulators of Translation. Pharmaceutics, 13, 2021
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