4REA
| A Nuclease DNA complex | Descriptor: | DNA (5'-D(*TP*GP*CP*TP*CP*GP*CP*CP*AP*C)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*GP*GP*CP*GP*AP*GP*CP*GP*CP*TP*CP*GP*CP*CP*AP*CP*G)-3'), ... | Authors: | Zhao, Q, Xue, X, Longerich, S, Sung, P, Xiong, Y. | Deposit date: | 2014-09-22 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.81 Å) | Cite: | Structural insights into 5' flap DNA unwinding and incision by the human FAN1 dimer. Nat Commun, 5, 2014
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1Z6O
| Crystal Structure of Trichoplusia ni secreted ferritin | Descriptor: | CALCIUM ION, FE (III) ION, Ferritin heavy chain, ... | Authors: | Hamburger, A.E, West Jr, A.P, Hamburger, Z.A, Hamburger, P, Bjorkman, P.J. | Deposit date: | 2005-03-22 | Release date: | 2005-05-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Crystal structure of a secreted insect ferritin reveals a symmetrical arrangement of heavy and light chains. J.Mol.Biol., 349, 2005
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6C0W
| Cryo-EM structure of human kinetochore protein CENP-N with the centromeric nucleosome containing CENP-A | Descriptor: | 147 mer DNA, Centromere protein N, Histone H2A, ... | Authors: | Zhou, K, Pentakota, S, Vetter, I.R, Morgan, G.P, Petrovic, A, Musacchio, A, Luger, K. | Deposit date: | 2018-01-02 | Release date: | 2018-01-17 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Decoding the centromeric nucleosome through CENP-N. Elife, 6, 2017
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6GAE
| BACTERIORHODOPSIN, 560 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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1RM5
| Crystal structure of mutant S188A of photosynthetic glyceraldehyde-3-phosphate dehydrogenase A4 isoform, complexed with NADP | Descriptor: | Glyceraldehyde 3-phosphate dehydrogenase A, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION | Authors: | Sparla, F, Fermani, S, Falini, G, Ripamonti, A, Sabatino, P, Pupillo, P, Trost, P. | Deposit date: | 2003-11-27 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Coenzyme Site-directed Mutants of Photosynthetic A(4)-GAPDH Show Selectively Reduced NADPH-dependent Catalysis, Similar to Regulatory AB-GAPDH Inhibited by Oxidized Thioredoxin J.Mol.Biol., 340, 2004
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6FY7
| Concerted dynamics of metallo-base pairs in an A/B-form helical transition (minor species) | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*TP*CP*AP*TP*GP*AP*TP*AP*CP*G)-3')_minor, MERCURY (II) ION | Authors: | Schmidt, O.P, Jurt, S, Johannsen, S, Karimi, A, Sigel, R.K.O, Luedtke, N.W. | Deposit date: | 2018-03-11 | Release date: | 2019-10-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Concerted dynamics of metallo-base pairs in an A/B-form helical transition. Nat Commun, 10, 2019
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1I5R
| TYPE 1 17-BETA HYDROXYSTEROID DEHYDROGENASE EM1745 COMPLEX | Descriptor: | GLYCEROL, O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE, TYPE 1 17 BETA-HYDROXYSTEROID DEHYDROGENASE | Authors: | Qiu, W, Campbell, R.L, Boivin, P, Poirier, D, Lin, S.-X. | Deposit date: | 2001-02-28 | Release date: | 2003-03-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A concerted, rational design of type 1 17beta-hydroxysteroid dehydrogenase inhibitors:
estradiol-adenosine hybrids with high affinity FASEB J., 16, 2002
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4R44
| Racemic crystal structure of a tetramolecular DNA G-quadruplex | Descriptor: | 5'-D(*TP*GP*GP*GP*GP*T)-3', POTASSIUM ION, SODIUM ION | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | Deposit date: | 2014-08-19 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.695 Å) | Cite: | Racemic DNA crystallography. Angew.Chem.Int.Ed.Engl., 53, 2014
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6W8U
| Cryo-EM of the Pyrobaculum arsenaticum pilus | Descriptor: | pilin | Authors: | Wang, F, Baquero, D.P, Su, Z, Beltran, L.C, Prangishvili, D, Krupovic, M, Egelman, E.H. | Deposit date: | 2020-03-21 | Release date: | 2020-07-08 | Last modified: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | The structures of two archaeal type IV pili illuminate evolutionary relationships. Nat Commun, 11, 2020
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2P5J
| sPLA2 inhibitor pip 17 | Descriptor: | pip17 | Authors: | Thwin, M.M, Satyanarayanajois, D.S, Nagarajarao, L.M, Sato, K, Gopalakrishnakone, P.P, Arjunan, P. | Deposit date: | 2007-03-15 | Release date: | 2007-11-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Novel Peptide Inhibitors of Human Secretory Phospholipase A2 with Antiinflammatory Activity: Solution Structure and Molecular Modeling. J.Med.Chem., 50, 2007
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5WPH
| Crystal structure of ArsN, N-acetyltransferase with substrate AST from Pseudomonas putida KT2440 | Descriptor: | (2S)-2-amino-4-[hydroxy(methyl)arsoryl]butanoic acid, Phosphinothricin N-acetyltransferase, SODIUM ION | Authors: | Venkadesh, S, Dheeman, D.S, Yoshinaga, M, Kandavelu, P, Rosen, B.P. | Deposit date: | 2017-08-04 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Arsinothricin, an arsenic-containing non-proteinogenic amino acid analog of glutamate, is a broad-spectrum antibiotic. Commun Biol, 2, 2019
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5FPR
| Structure of Bacterial DNA Ligase with small-molecule ligand pyrimidin-2-amine (AT371) in an alternate binding site. | Descriptor: | DNA LIGASE, PYRIMIDIN-2-AMINE, SULFATE ION | Authors: | Jhoti, H, Ludlow, R.F, Pathuri, P, Saini, H.K, Tickle, I.J, Tisi, D, Verdonk, M, Williams, P.A. | Deposit date: | 2015-12-02 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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3ZHH
| X-ray structure of the full-length beta-lactamase from M.tuberculosis | Descriptor: | BETA-LACTAMASE, SULFATE ION | Authors: | Feiler, C, Fisher, A.C, Marrichi, M.J, Wright, L, Schmidpeter, P.A.M, Blankenfeldt, W, Pavelka, M, DeLisa, M.P. | Deposit date: | 2012-12-21 | Release date: | 2013-09-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Directed Evolution of Mycobacterium Tuberculosis Beta-Lactamase Reveals Gatekeeper Residue that Regulates Antibiotic Resistance and Catalytic Efficiency. Plos One, 8, 2013
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6VLG
| Crystal structure of mouse alpha 1,6-fucosyltransferase, FUT8 bound to GDP | Descriptor: | Alpha-(1,6)-fucosyltransferase, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | Authors: | Jarva, M.A, Dramicanin, M, Lingford, J.P, Mao, R, John, A, Goddard-Borger, E.D. | Deposit date: | 2020-01-23 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of substrate recognition and catalysis by fucosyltransferase 8. J.Biol.Chem., 295, 2020
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1I7V
| THE SOLUTION STRUCTURE OF A BAY REGION 1R-BENZ[A]ANTHRACENE OXIDE ADDUCT AT THE N6 POSITION OF ADENINE OF AN OLIGODEOXYNUCLEOTIDE CONTAINING THE HUMAN N-RAS CODON 61 SEQUENCE | Descriptor: | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL, 5'-D(*CP*GP*GP*AP*CP*AP*(BZA)AP*GP*AP*AP*G)-3', 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3' | Authors: | Li, Z, Tamura, P.J, Wilkinson, A.S, Harris, C.M, Harris, T.M, Stone, M.P. | Deposit date: | 2001-03-10 | Release date: | 2001-03-28 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Intercalation of the (1R,2S,3R,4S)-N6-[1-(1,2,3,4-tetrahydro-2,3,4-trihydroxybenz[a]anthracenyl)]-2'-deoxyadenosyl adduct in the N-ras codon 61 sequence: DNA sequence effects Biochemistry, 40, 2001
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5WO1
| Chaperone Spy H96L bound to Im7 L18A L19A L37A (Im7 un-modeled) | Descriptor: | CHLORIDE ION, GLUTAMIC ACID, IMIDAZOLE, ... | Authors: | Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A. | Deposit date: | 2017-08-01 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Visualizing chaperone-assisted protein folding. Nat. Struct. Mol. Biol., 23, 2016
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6GEL
| The structure of TWITCH-2B | Descriptor: | CALCIUM ION, FORMIC ACID, GLYCEROL, ... | Authors: | Trigo Mourino, P, Paulat, M, Thestrup, T, Griesbeck, O, Griesinger, C, Becker, S. | Deposit date: | 2018-04-26 | Release date: | 2019-08-21 | Last modified: | 2019-09-11 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Dynamic tuning of FRET in a green fluorescent protein biosensor. Sci Adv, 5, 2019
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6G1C
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5N65
| Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9h | Descriptor: | 2-phenyl-~{N}4-(2-thiophen-2-ylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14 | Authors: | Buehrmann, M, Mueller, M.P, Wiedemann, B, Rauh, D. | Deposit date: | 2017-02-14 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK. PLoS ONE, 12, 2017
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4GV1
| PKB alpha in complex with AZD5363 | Descriptor: | 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide, GLYCEROL, RAC-alpha serine/threonine-protein kinase | Authors: | Addie, M, Ballard, P, Bird, G, Buttar, D, Currie, G, Davies, B, Debreczeni, J, Dry, H, Dudley, P, Greenwood, R, Hatter, G, Jestel, A, Johnson, P.D, Kettle, J.G, Lane, C, Lamont, G, Leach, A, Luke, R.W.A, Ogilvie, D, Page, K, Pass, M, Steinbacher, S, Steuber, H, Pearson, S, Ruston, L. | Deposit date: | 2012-08-30 | Release date: | 2013-02-27 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Discovery of 4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an Orally Bioavailable, Potent Inhibitor of Akt Kinases. J.Med.Chem., 56, 2013
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6VR4
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6BT1
| Structure of the human Nocturnin catalytic domain | Descriptor: | MAGNESIUM ION, Nocturnin | Authors: | Abshire, E.T, Chasseur, J, Del Rizzo, P, Trievel, R. | Deposit date: | 2017-12-04 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | The structure of human Nocturnin reveals a conserved ribonuclease domain that represses target transcript translation and abundance in cells. Nucleic Acids Res., 46, 2018
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2VH0
| Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs | Descriptor: | 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | Authors: | Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Convery, M.A, Diallo, H, Hortense, E, Irving, W.R, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Zhou, P. | Deposit date: | 2007-11-16 | Release date: | 2008-11-25 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and property based design of factor Xa inhibitors: biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs. Bioorg. Med. Chem. Lett., 18, 2008
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8AY1
| Crystal structure of the C. elegans POFUT2 (CePoFUT2) triple mutant (R298K-R299K-A418C) in complex with the Rattus norvegicus TSR4 single mutant (E10C) from F-spondin | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 2,Spondin-1, ... | Authors: | Hurtado-Guerrero, R, Merino, P. | Deposit date: | 2022-09-01 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | The Essential Role of Water Molecules in the Reaction Mechanism of Protein O-Fucosyltransferase 2. Angew.Chem.Int.Ed.Engl., 61, 2022
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8W1F
| Crystal Structure of DPS-like protein PA4880 from Pseudomonas aeruginosa (dodecamer, Mg bound) | Descriptor: | DPS-LIKE PROTEIN, FE (II) ION, MAGNESIUM ION, ... | Authors: | Lovell, S, Liu, L, Seibold, S, Battaile, K.P, Rivera, M. | Deposit date: | 2024-02-15 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Pseudomonas aeruginosa gene PA4880 encodes a Dps-like protein with a Dps fold, bacterioferritin-type ferroxidase centers, and endonuclease activity. Front Mol Biosci, 11, 2024
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