5J6Q
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![BU of 5j6q by Molmil](/molmil-images/mine/5j6q) | Cwp8 from Clostridium difficile | Descriptor: | CHLORIDE ION, Cell wall binding protein cwp8, SULFATE ION | Authors: | Renko, M, Usenik, A, Turk, D. | Deposit date: | 2016-04-05 | Release date: | 2017-02-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The CWB2 Cell Wall-Anchoring Module Is Revealed by the Crystal Structures of the Clostridium difficile Cell Wall Proteins Cwp8 and Cwp6. Structure, 25, 2017
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5J8M
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![BU of 5j8m by Molmil](/molmil-images/mine/5j8m) | Crystal Structure of Hsp90-alpha N-domain L107A mutant in complex with 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one | Descriptor: | 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one, Heat shock protein HSP 90-alpha | Authors: | Amaral, M, Matias, P. | Deposit date: | 2016-04-08 | Release date: | 2017-12-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding. Nat Commun, 8, 2017
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6N1O
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![BU of 6n1o by Molmil](/molmil-images/mine/6n1o) | Oxidized rat cytochrome c mutant (S47E) | Descriptor: | 1,2-ETHANEDIOL, Cytochrome c, somatic, ... | Authors: | Huttemann, M, Edwards, B.F.P. | Deposit date: | 2018-11-09 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Serine-47 phosphorylation of cytochromecin the mammalian brain regulates cytochromecoxidase and caspase-3 activity. Faseb J., 33, 2019
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7QNV
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7QOB
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![BU of 7qob by Molmil](/molmil-images/mine/7qob) | |
8CXP
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![BU of 8cxp by Molmil](/molmil-images/mine/8cxp) | Characterisation of a Seneca Valley Virus Thermostable Mutant | Descriptor: | Capsid protein VP1, Capsid protein VP3, VP2, ... | Authors: | Jayawardena, N, Bostina, M, Strauss, M. | Deposit date: | 2022-05-22 | Release date: | 2022-09-28 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.47 Å) | Cite: | Characterisation of a Seneca Valley virus thermostable mutant. Virology, 575, 2022
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6HAL
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![BU of 6hal by Molmil](/molmil-images/mine/6hal) | Human carbonmonoxy hemoglobin SFX dataset | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Doak, B, Gorel, A, Foucar, L, Barends, T.R.M, Gruenbein, M.L, Hilpert, M, Kloos, M, Nass Kovacs, G, Roome, C.M, Shoeman, R.L, Stricker, M, Tono, K, You, D, Ueda, K, Sherrell, D.A, Owen, R.L, Schlichting, I. | Deposit date: | 2018-08-07 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallography on a chip - without the chip: sheet-on-sheet sandwich. Acta Crystallogr D Struct Biol, 74, 2018
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7QW7
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![BU of 7qw7 by Molmil](/molmil-images/mine/7qw7) | Adenine-specific DNA methyltransferase M.BseCI complexed with AdoHcy and cognate fully methylated DNA duplex | Descriptor: | Fully methylated DNA duplex, Modification methylase BseCI, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M. | Deposit date: | 2022-01-24 | Release date: | 2023-01-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus. To Be Published
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7QW5
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![BU of 7qw5 by Molmil](/molmil-images/mine/7qw5) | Adenine-specific DNA methyltransferase M.BseCI complexed with AdoHcy and cognate unmethylated DNA duplex | Descriptor: | Modification methylase BseCI, S-ADENOSYL-L-HOMOCYSTEINE, Unmethylated DNA duplex | Authors: | Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M. | Deposit date: | 2022-01-24 | Release date: | 2023-01-25 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus. To Be Published
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7QQ7
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1LHK
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![BU of 1lhk by Molmil](/molmil-images/mine/1lhk) | ROLE OF PROLINE RESIDUES IN HUMAN LYSOZYME STABILITY: A SCANNING CALORIMETRIC STUDY COMBINED WITH X-RAY STRUCTURE ANALYSIS OF PROLINE MUTANTS | Descriptor: | HUMAN LYSOZYME | Authors: | Inaka, K, Matsushima, M, Herning, T, Kuroki, R, Yutani, K, Kikuchi, M. | Deposit date: | 1992-03-27 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Role of proline residues in human lysozyme stability: a scanning calorimetric study combined with X-ray structure analysis of proline mutants. Biochemistry, 31, 1992
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5UJC
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![BU of 5ujc by Molmil](/molmil-images/mine/5ujc) | Crystal structure of a C.elegans B12-trafficking protein CblC, a human MMACHC homologue | Descriptor: | CO-METHYLCOBALAMIN, D(-)-TARTARIC ACID, GLYCEROL, ... | Authors: | Li, Z, Shanmuganathan, A, Ruetz, M, Yamada, K, Lesniak, N.A, Krautler, B, Brunold, T.C, Banerjee, R, Koutmos, M. | Deposit date: | 2017-01-17 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Coordination chemistry controls the thiol oxidase activity of the B12-trafficking protein CblC. J. Biol. Chem., 292, 2017
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4ZZO
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![BU of 4zzo by Molmil](/molmil-images/mine/4zzo) | Human ERK2 in complex with an irreversible inhibitor | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 1, N-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide, SULFATE ION | Authors: | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | Deposit date: | 2015-04-10 | Release date: | 2015-05-27 | Last modified: | 2015-08-26 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2. J.Med.Chem., 58, 2015
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6HHR
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![BU of 6hhr by Molmil](/molmil-images/mine/6hhr) | Hsp90 in complex with 5-(2,4-Dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione | Descriptor: | 3-[2,4-bis(oxidanyl)phenyl]-4-(2-fluorophenyl)-1~{H}-1,2,4-triazole-5-thione, Heat shock protein HSP 90-alpha, SULFATE ION | Authors: | Musil, D, Lehman, M, Eggenweiler, H.-M. | Deposit date: | 2018-08-29 | Release date: | 2019-07-10 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Predicting Residence Time and Drug Unbinding Pathway through Scaled Molecular Dynamics. J.Chem.Inf.Model., 59, 2019
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7QVK
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![BU of 7qvk by Molmil](/molmil-images/mine/7qvk) | NM-02 in complex with HER2-ECD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NM-02, Receptor tyrosine-protein kinase erbB-2, ... | Authors: | Cowan, R, Hall, G, Carr, M. | Deposit date: | 2022-01-21 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Co-crystallisation and humanisation of an anti-HER2 single-domain antibody as a theranostic tool. Plos One, 18, 2023
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7QW6
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![BU of 7qw6 by Molmil](/molmil-images/mine/7qw6) | Adenine-specific DNA methyltransferase M.BseCI complexed with AdoHcy and cognate hemimethylated DNA duplex | Descriptor: | Hemimethylated DNA duplex, Modification methylase BseCI, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M. | Deposit date: | 2022-01-24 | Release date: | 2023-01-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus. To Be Published
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5FOS
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![BU of 5fos by Molmil](/molmil-images/mine/5fos) | HUMANISED MONOMERIC RADA IN COMPLEX WITH OLIGOMERISATION PEPTIDE | Descriptor: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, GLYCEROL, PHOSPHATE ION | Authors: | Sharpe, T, Moschetti, T, Fischer, G, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M. | Deposit date: | 2015-11-26 | Release date: | 2016-10-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51. J.Mol.Biol., 428, 2016
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7QW8
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![BU of 7qw8 by Molmil](/molmil-images/mine/7qw8) | Adenine-specific DNA methyltransferase M.BseCI | Descriptor: | Modification methylase BseCI | Authors: | Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M. | Deposit date: | 2022-01-24 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus. To Be Published
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7F5S
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![BU of 7f5s by Molmil](/molmil-images/mine/7f5s) | human delta-METTL18 60S ribosome | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Takahashi, M, Kashiwagi, K, Ito, T. | Deposit date: | 2021-06-22 | Release date: | 2022-06-22 | Method: | ELECTRON MICROSCOPY (2.72 Å) | Cite: | METTL18-mediated histidine methylation of RPL3 modulates translation elongation for proteostasis maintenance. Elife, 11, 2022
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1JHN
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![BU of 1jhn by Molmil](/molmil-images/mine/1jhn) | Crystal Structure of the Lumenal Domain of Calnexin | Descriptor: | CALCIUM ION, calnexin | Authors: | Schrag, J.D, Bergeron, J.M, Li, Y, Borisova, S, Hahn, M, Thomas, D.Y, Cygler, M. | Deposit date: | 2001-06-28 | Release date: | 2001-10-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Structure of calnexin, an ER chaperone involved in quality control of protein folding. Mol.Cell, 8, 2001
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5JDT
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![BU of 5jdt by Molmil](/molmil-images/mine/5jdt) | Structure of Spin-labelled T4 lysozyme mutant L118C-R1 at 100K | Descriptor: | AZIDE ION, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Loll, B, Consentius, P, Gohlke, U, Mueller, R, Kaupp, M, Heinemann, U, Wahl, M.C, Risse, T. | Deposit date: | 2016-04-17 | Release date: | 2016-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Tracking Transient Conformational States of T4 Lysozyme at Room Temperature Combining X-ray Crystallography and Site-Directed Spin Labeling. J.Am.Chem.Soc., 138, 2016
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5FV9
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![BU of 5fv9 by Molmil](/molmil-images/mine/5fv9) | Crystal structure of GalNAc-T2 in complex with compound 16d | Descriptor: | 1,2-ETHANEDIOL, GALNAC-T2, GLYCEROL, ... | Authors: | Ghirardello, M, Rivas, M, Lacetera, A, Delso, I, Lira-Navarrete, E, Tejero, T, Martin-Santamaria, S, Hurtado-Guerrero, R, Merino, P. | Deposit date: | 2016-02-03 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Glycomimetics Targeting Glycosyltransferases: Synthetic, Computational and Structural Studies of Less-Polar Conjugates. Chemistry, 22, 2016
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7QXF
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5AHV
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![BU of 5ahv by Molmil](/molmil-images/mine/5ahv) | Cryo-EM structure of helical ANTH and ENTH tubules on PI(4,5)P2-containing membranes | Descriptor: | ANTH DOMAIN OF ENDOCYTIC ADAPTOR SLA2, ENTH DOMAIN OF EPSIN ENT1 | Authors: | Skruzny, M, Desfosses, A, Prinz, S, Dodonova, S.O, Gieras, A, Uetrecht, C, Jakobi, A.J, Abella, M, Hagen, W.J.H, Schulz, J, Meijers, R, Rybin, V, Briggs, J.A.G, Sachse, C, Kaksonen, M. | Deposit date: | 2015-02-10 | Release date: | 2015-05-06 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (13.6 Å) | Cite: | An Organized Co-Assembly of Clathrin Adaptors is Essential for Endocytosis. Dev.Cell, 33, 2015
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6FY5
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![BU of 6fy5 by Molmil](/molmil-images/mine/6fy5) | Crystal structure of the macro domain of human macroh2a2 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Core histone macro-H2A.2 | Authors: | Hothorn, M. | Deposit date: | 2018-03-10 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | MacroH2A histone variants limit chromatin plasticity through two distinct mechanisms. EMBO Rep., 19, 2018
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