7RFR
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![BU of 7rfr by Molmil](/molmil-images/mine/7rfr) | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Gajiwala, K.S, Ferre, R.A, Liu, W, Stewart, A.E. | Deposit date: | 2021-07-14 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.626 Å) | Cite: | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19. Science, 374, 2021
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2YPQ
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![BU of 2ypq by Molmil](/molmil-images/mine/2ypq) | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase with tryptophan and tyrosine bound | Descriptor: | CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Blackmore, N.J, Reichau, S, Jiao, W, Hutton, R.D, Baker, E.N, Jameson, G.B, Parker, E.J. | Deposit date: | 2012-10-31 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Three Sites and You are Out: Ternary Synergistic Allostery Controls Aromatic Aminoacid Biosynthesis in Mycobacterium Tuberculosis. J.Mol.Biol., 425, 2013
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5E6A
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![BU of 5e6a by Molmil](/molmil-images/mine/5e6a) | Glucocorticoid receptor DNA binding domain - PLAU NF-kB response element complex | Descriptor: | DNA (5'-D(*AP*TP*CP*AP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*TP*GP*AP*T)-3'), Glucocorticoid receptor, ... | Authors: | Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A. | Deposit date: | 2015-10-09 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.197 Å) | Cite: | Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements. Nat Commun, 9, 2018
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5EA0
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![BU of 5ea0 by Molmil](/molmil-images/mine/5ea0) | Structure of the antibody 7968 with human complement factor H-derived peptide | Descriptor: | Complement factor H-related protein 2, Heavy chain of antibody 7968 Fab fragment, Light chain of antibody 7968 Fab fragment | Authors: | Bushey, R.T, Moody, M.A, Nicely, N.I, Alam, S.M, Haynes, B.F, Winkler, M.T, Gottlin, E.B, Campa, M.J, Liao, H.-X, Patz Jr, E.F. | Deposit date: | 2015-10-15 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Therapeutic Antibody for Cancer, Derived from Single Human B Cells. Cell Rep, 15, 2016
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2G45
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![BU of 2g45 by Molmil](/molmil-images/mine/2g45) | Co-crystal structure of znf ubp domain from the deubiquitinating enzyme isopeptidase T (isot) in complex with ubiquitin | Descriptor: | CHLORIDE ION, Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 5, ... | Authors: | Reyes-Turcu, F.E, Horton, J.R, Mullally, J.E, Heroux, A, Cheng, X, Wilkinson, K.D. | Deposit date: | 2006-02-21 | Release date: | 2006-04-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The Ubiquitin Binding Domain ZnF UBP Recognizes the C-Terminal Diglycine Motif of Unanchored Ubiquitin. Cell(Cambridge,Mass.), 124, 2006
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7REX
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![BU of 7rex by Molmil](/molmil-images/mine/7rex) | |
6D74
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![BU of 6d74 by Molmil](/molmil-images/mine/6d74) | |
3GLL
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![BU of 3gll by Molmil](/molmil-images/mine/3gll) | Crystal structure of Polynucleotide Phosphorylase (PNPase) core | Descriptor: | Polyribonucleotide nucleotidyltransferase | Authors: | Nurmohamed, S, Luisi, B.L. | Deposit date: | 2009-03-12 | Release date: | 2009-06-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of Escherichia coli polynucleotide phosphorylase core bound to RNase E, RNA and manganese: implications for catalytic mechanism and RNA degradosome assembly. J.Mol.Biol., 389, 2009
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8R6U
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![BU of 8r6u by Molmil](/molmil-images/mine/8r6u) | Structure of the SFTSV L protein in a transcription-priming state without capped RNA [TRANSCRIPTION-PRIMING (in vitro)] | Descriptor: | MAGNESIUM ION, RNA (5'-R(P*CP*UP*GP*GP*GP*CP*GP*GP*UP*CP*UP*UP*UP*GP*UP*GP*U)-3'), RNA primer, ... | Authors: | Williams, H.M, Thorkelsson, S.R, Vogel, D, Busch, C, Milewski, M, Cusack, S, Grunewald, K, Quemin, E.R.J, Rosenthal, M. | Deposit date: | 2023-11-23 | Release date: | 2024-04-24 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Structural snapshots of phenuivirus cap-snatching and transcription. Nucleic Acids Res., 52, 2024
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2FP4
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![BU of 2fp4 by Molmil](/molmil-images/mine/2fp4) | |
5JZ9
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![BU of 5jz9 by Molmil](/molmil-images/mine/5jz9) | Crystal structure of HsaD bound to 3,5-dichloro-4-hydroxybenzenesulphonic acid | Descriptor: | 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase | Authors: | Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E. | Deposit date: | 2016-05-16 | Release date: | 2017-04-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach. Br. J. Pharmacol., 174, 2017
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6D71
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![BU of 6d71 by Molmil](/molmil-images/mine/6d71) | Crystal Structure of the Human Miro1 N-terminal GTPase bound to GTP | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitochondrial Rho GTPase 1 | Authors: | Smith, K.P, Focia, P.J, Rice, S.E, Freymann, D.M. | Deposit date: | 2018-04-23 | Release date: | 2019-10-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7180779 Å) | Cite: | Insight into human Miro1/2 domain organization based on the structure of its N-terminal GTPase. J.Struct.Biol., 212, 2020
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2FPI
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![BU of 2fpi by Molmil](/molmil-images/mine/2fpi) | |
7QQ3
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![BU of 7qq3 by Molmil](/molmil-images/mine/7qq3) | Cryo-EM structure of the E.coli 50S ribosomal subunit in complex with the antibiotic Myxovalargin A. | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Koller, T.O, Beckert, B, Wilson, D.N. | Deposit date: | 2022-01-06 | Release date: | 2023-01-18 | Last modified: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | The Myxobacterial Antibiotic Myxovalargin: Biosynthesis, Structural Revision, Total Synthesis, and Molecular Characterization of Ribosomal Inhibition. J.Am.Chem.Soc., 145, 2023
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3H9V
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![BU of 3h9v by Molmil](/molmil-images/mine/3h9v) | Crystal structure of the ATP-gated P2X4 ion channel in the closed, apo state at 3.1 Angstroms | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GADOLINIUM ATOM, P2X purinoceptor | Authors: | Kawate, T, Michel, J.C, Gouaux, E. | Deposit date: | 2009-04-30 | Release date: | 2009-07-28 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of the ATP-gated P2X(4) ion channel in the closed state. Nature, 460, 2009
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3HA0
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![BU of 3ha0 by Molmil](/molmil-images/mine/3ha0) | Crystal structure of the IgE-Fc3-4 domains | Descriptor: | Ig epsilon chain C region, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Wurzburg, B.A. | Deposit date: | 2009-04-30 | Release date: | 2009-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Conformational flexibility in immunoglobulin E-Fc 3-4 revealed in multiple crystal forms. J.Mol.Biol., 393, 2009
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2G4B
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![BU of 2g4b by Molmil](/molmil-images/mine/2g4b) | Structure of U2AF65 variant with polyuridine tract | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 5'-R(P*UP*UP*UP*UP*UP*UP*U)-3', Splicing factor U2AF 65 kDa subunit | Authors: | Sickmier, E.A, Kielkopf, C.L. | Deposit date: | 2006-02-21 | Release date: | 2006-07-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of polypyrimidine tract recognition
by the essential splicing factor U2AF65. Mol.Cell, 23, 2006
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2G1S
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![BU of 2g1s by Molmil](/molmil-images/mine/2g1s) | Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring | Descriptor: | (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | Deposit date: | 2006-02-14 | Release date: | 2006-06-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring BIOORG.MED.CHEM.LETT., 16, 2006
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5K50
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![BU of 5k50 by Molmil](/molmil-images/mine/5k50) | Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NAD+ and L-allo-threonine refined to 2.23 angstroms | Descriptor: | ACETATE ION, ALLO-THREONINE, GLYCEROL, ... | Authors: | Adjogatse, E.A, Erskine, P.T, Cooper, J.B. | Deposit date: | 2016-05-22 | Release date: | 2017-11-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations. Acta Crystallogr D Struct Biol, 74, 2018
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5K71
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![BU of 5k71 by Molmil](/molmil-images/mine/5k71) | apo Dbr1 | Descriptor: | RNA lariat debranching enzyme, putative, SULFATE ION | Authors: | Clark, N.E, Taylor, A.B, Hart, P.J. | Deposit date: | 2016-05-25 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | The RNA lariat debranching enzyme Dbr1: metal dependence and branched RNA co-crystal structures Proc.Natl.Acad.Sci.USA, 2016
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5K89
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![BU of 5k89 by Molmil](/molmil-images/mine/5k89) | Crystal Structure of Human Calcium-Bound S100A1 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Protein S100-A1 | Authors: | Melville, Z, Aligholizadeh, E, McKnight, L.E, Weber, D, Pozharski, E, Weber, D.J. | Deposit date: | 2016-05-27 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | X-ray crystal structure of human calcium-bound S100A1. Acta Crystallogr F Struct Biol Commun, 73, 2017
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5K4Y
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![BU of 5k4y by Molmil](/molmil-images/mine/5k4y) | Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei refined to 1.77 angstroms | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Adjogatse, E.A, Erskine, P.T, Cooper, J.B. | Deposit date: | 2016-05-22 | Release date: | 2018-01-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations. Acta Crystallogr D Struct Biol, 74, 2018
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5K73
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![BU of 5k73 by Molmil](/molmil-images/mine/5k73) | as-isolated Dbr1 with Fe(II) and Zn(II) | Descriptor: | FE (II) ION, HYDROXIDE ION, RNA lariat debranching enzyme, ... | Authors: | Clark, N.E, Taylor, A.B, Hart, P.J. | Deposit date: | 2016-05-25 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | The RNA lariat debranching enzyme Dbr1: metal dependence and branched RNA co-crystal structures Proc.Natl.Acad.Sci.USA, 2016
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2GD3
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![BU of 2gd3 by Molmil](/molmil-images/mine/2gd3) | NMR structure of S14G-humanin in 30% TFE solution | Descriptor: | Humanin | Authors: | Benaki, D, Zikos, C, Evangelou, A, Livaniou, E, Vlassi, M, Mikros, E, Pelecanou, M. | Deposit date: | 2006-03-15 | Release date: | 2006-09-19 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of Ser14Gly-humanin, a potent rescue factor against neuronal cell death in Alzheimer's disease. Biochem.Biophys.Res.Commun., 349, 2006
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6D7G
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![BU of 6d7g by Molmil](/molmil-images/mine/6d7g) | Structure of 5F3 TCR in complex with HLA-A2/MART-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MART1 PEPTIDE-BETA-2-MICROGLOBULIN-HLA-A*02 CHIMERA, T-CELL RECEPTOR GAMMA VARIABLE 8,T-CELL RECEPTOR GAMMA-2 CHAIN C REGION, ... | Authors: | Roy, S, Adams, E.J. | Deposit date: | 2018-04-24 | Release date: | 2019-01-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Generation and molecular recognition of melanoma-associated antigen-specific human gamma delta T cells. Sci Immunol, 3, 2018
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