5LF4
 
 | | Human 20S proteasome complex with Delanzomib at 2.0 Angstrom | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | | Deposit date: | 2016-06-30 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
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6TCA
 | | Phosphorylated p38 and MAPKAPK2 complex with inhibitor | | Descriptor: | MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide | | Authors: | Sok, P, Remenyi, A. | | Deposit date: | 2019-11-05 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | MAP Kinase-Mediated Activation of RSK1 and MK2 Substrate Kinases.
Structure, 28, 2020
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5LHX
 | | PB3 Domain of Drosophila melanogaster PLK4 (Sak) | | Descriptor: | Serine/threonine-protein kinase PLK4 | | Authors: | Cottee, M.A, Lea, S.M. | | Deposit date: | 2016-07-13 | | Release date: | 2017-03-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | A key centriole assembly interaction interface between human PLK4 and STIL appears to not be conserved in flies.
Biol Open, 6, 2017
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6TE4
 | | Structural insights into Pseudomonas aeruginosa Type six secretion system exported effector 8: Tse8 in complex with a peptide | | Descriptor: | Pro-Pro-Leu-Ala-Ser-Lys, Tse8 | | Authors: | Sainz-Polo, M.A, Capuni, R, Lucas, M, Altuna, J, Fucini, P, Montanchez, I, Albesa-Jove, D. | | Deposit date: | 2019-11-11 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structural insights into Pseudomonas aeruginosaType six secretion system exported effector 8.
J.Struct.Biol., 212, 2020
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1AO8
 | | DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE, NMR, 21 STRUCTURES | | Descriptor: | DIHYDROFOLATE REDUCTASE, METHOTREXATE | | Authors: | Gargaro, A.R, Soteriou, A, Frenkiel, T.A, Bauer, C.J, Birdsall, B, Polshakov, V.I, Barsukov, I.L, Roberts, G.C.K, Feeney, J. | | Deposit date: | 1997-07-22 | | Release date: | 1998-02-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The solution structure of the complex of Lactobacillus casei dihydrofolate reductase with methotrexate.
J.Mol.Biol., 277, 1998
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5I3D
 | | Sulfolobus solfataricus beta-glycosidase - E387Y mutant | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ACETATE ION, Beta-galactosidase | | Authors: | Iglesias-Fernandez, J, Hancock, S.M, Lee, S.S, McAuley, K.E, Fordham-Skelton, A, Rovira, C, Davis, B.D. | | Deposit date: | 2016-02-10 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | A front-face 'SNi synthase' engineered from a retaining 'double-SN2' hydrolase.
Nat. Chem. Biol., 13, 2017
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6APF
 | | Trans-acting transferase from Disorazole synthase complexed with Citrate. | | Descriptor: | CITRIC ACID, DisD protein, GLYCEROL, ... | | Authors: | Mathews, I.I, Lyubimov, A, Soltis, M, Khosla, C, Cohen, A, Robbins, T. | | Deposit date: | 2017-08-17 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | The Conformational Flexibility of the Acyltransferase from the Disorazole Polyketide Synthase Is Revealed by an X-ray Free-Electron Laser Using a Room-Temperature Sample Delivery Method for Serial Crystallography.
Biochemistry, 56, 2017
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6GSS
 | | HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH GLUTATHIONE | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1 | | Authors: | Oakley, A, Parker, M. | | Deposit date: | 1997-08-13 | | Release date: | 1998-09-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
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5I4Q
 | | Contact-dependent inhibition system from Escherichia coli NC101 - ternary CdiA/CdiI/EF-Tu complex (domains 2 and 3) | | Descriptor: | CHLORIDE ION, Contact-dependent inhibitor A, Contact-dependent inhibitor I, ... | | Authors: | Michalska, K, Stols, L, Eschenfeldt, W, Hayes, C.S, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI) | | Deposit date: | 2016-02-12 | | Release date: | 2017-06-28 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of a novel antibacterial toxin that exploits elongation factor Tu to cleave specific transfer RNAs.
Nucleic Acids Res., 45, 2017
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5ISK
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5LLL
 | | Crystal structure of DACM wild type Transthyretin | | Descriptor: | Transthyretin | | Authors: | Sala, B.M, Ghadami, S.A, Bemporad, F, Chiti, F, Ricagno, S. | | Deposit date: | 2016-07-27 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | FRET studies of various conformational states adopted by transthyretin.
Cell. Mol. Life Sci., 74, 2017
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4Z10
 | | Inactive aurone synthase (polyphenol oxidase) co-crystallized with 1,4-resorcinol | | Descriptor: | ACETATE ION, Aurone synthase, COPPER (II) ION, ... | | Authors: | Molitor, C, Mauracher, S.G, Rompel, A. | | Deposit date: | 2015-03-26 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Inactive aurone synthase (polyphenol oxidase) co-crystallized with 1,4-resorcinol
To Be Published
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6N0P
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1AVD
 | | THREE-DIMENSIONAL STRUCTURE OF THE TETRAGONAL CRYSTAL FORM OF EGG-WHITE AVIDIN IN ITS FUNCTIONAL COMPLEX WITH BIOTIN AT 2.7 ANGSTROMS RESOLUTION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AVIDIN, BIOTIN | | Authors: | Pugliese, L, Coda, A, Malcovati, M, Bolognesi, M. | | Deposit date: | 1993-03-05 | | Release date: | 1994-01-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Three-dimensional structure of the tetragonal crystal form of egg-white avidin in its functional complex with biotin at 2.7 A resolution.
J.Mol.Biol., 231, 1993
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7L5A
 | | Crystal structure of the photosensory module from Xanthomonas campestris bacteriophytochrome XccBphP in the Pfr state | | Descriptor: | BILIVERDINE IX ALPHA, Bacteriophytochrome | | Authors: | Otero, L.H, Antelo, G, Sanchez-Lamas, M, Klinke, S, Goldbaum, F.A, Rinaldi, J, Bonomi, H.R. | | Deposit date: | 2020-12-21 | | Release date: | 2021-12-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural basis for the Pr-Pfr long-range signaling mechanism of a full-length bacterial phytochrome at the atomic level.
Sci Adv, 7, 2021
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5LL9
 | | Crystal structure of human carbonic anhydrase isozyme XII with 4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide | | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide, Carbonic anhydrase 12, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2016-07-27 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases
Chemistryselect, 2017
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1AXI
 | | STRUCTURAL PLASTICITY AT THE HGH:HGHBP INTERFACE | | Descriptor: | GROWTH HORMONE, GROWTH HORMONE RECEPTOR, SULFATE ION | | Authors: | Atwell, S, Ultsch, M, De Vos, A.M, Wells, J.A. | | Deposit date: | 1997-10-15 | | Release date: | 1998-01-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural plasticity in a remodeled protein-protein interface.
Science, 278, 1997
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5LM8
 | | Crystal structure of a laccase-like multicopper oxidase McoG from from Aspergillus niger | | Descriptor: | 'Multicopper oxidase, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ferraroni, M, Briganti, F, Tamayo-Ramos, J.A, van Berkel, W.J.H, Westphal, A.H. | | Deposit date: | 2016-07-29 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and function of Aspergillus niger laccase McoG
Biocatalysis, 2017
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7L59
 | | Crystal structure of the dark-adapted full-length bacteriophytochrome XccBphP-G454E variant from Xanthomonas campestris in the Pfr state | | Descriptor: | BILIVERDINE IX ALPHA, Bacteriophytochrome | | Authors: | Otero, L.H, Antelo, G, Sanchez-Lamas, M, Klinke, S, Goldbaum, F.A, Rinaldi, J, Bonomi, H.R. | | Deposit date: | 2020-12-21 | | Release date: | 2021-12-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structural basis for the Pr-Pfr long-range signaling mechanism of a full-length bacterial phytochrome at the atomic level.
Sci Adv, 7, 2021
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1AVH
 | | CRYSTAL AND MOLECULAR STRUCTURE OF HUMAN ANNEXIN V AFTER REFINEMENT. IMPLICATIONS FOR STRUCTURE, MEMBRANE BINDING AND ION CHANNEL FORMATION OF THE ANNEXIN FAMILY OF PROTEINS | | Descriptor: | ANNEXIN V, CALCIUM ION, SULFATE ION | | Authors: | Huber, R, Berendes, R, Burger, A, Schneider, M, Karshikov, A, Luecke, H, Roemisch, J, Paques, E. | | Deposit date: | 1991-10-17 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal and molecular structure of human annexin V after refinement. Implications for structure, membrane binding and ion channel formation of the annexin family of proteins.
J.Mol.Biol., 223, 1992
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6GFX
 | | pVHL:EloB:EloC in complex with modified HIF-1a CODD peptide containing (3R,4S)-3-fluoro-4-hydroxyproline (ligand 13a) | | Descriptor: | Elongin-B, Elongin-C, FLUORINATED HYPOXIA-INDUCIBLE FACTOR 1 ALPHA PEPTIDE, ... | | Authors: | Castro, G.V, Testa, A, Ciulli, A. | | Deposit date: | 2018-05-02 | | Release date: | 2018-07-11 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | 3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.
J. Am. Chem. Soc., 140, 2018
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5LNK
 | | Entire ovine respiratory complex I | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 4'-PHOSPHOPANTETHEINE, ... | | Authors: | Fiedorczuk, K, Letts, J.A, Kaszuba, K, Sazanov, L.A. | | Deposit date: | 2016-08-04 | | Release date: | 2016-11-23 | | Last modified: | 2021-06-02 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Atomic structure of the entire mammalian mitochondrial complex I.
Nature, 538, 2016
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4Y4O
 | | Crystal structure of the Thermus thermophilus 70S ribosome with rRNA modifications and bound to protein Y (YfiA) at 2.3A resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Polikanov, Y.S, Melnikov, S.V, Soll, D, Steitz, T.A. | | Deposit date: | 2015-02-10 | | Release date: | 2015-03-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insights into the role of rRNA modifications in protein synthesis and ribosome assembly.
Nat.Struct.Mol.Biol., 22, 2015
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1ATG
 | | AZOTOBACTER VINELANDII PERIPLASMIC MOLYBDATE-BINDING PROTEIN | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, PERIPLASMIC MOLYBDATE-BINDING PROTEIN, ... | | Authors: | Lawson, D.M, Pau, R.N, Williams, C.E.M, Mitchenall, L.A. | | Deposit date: | 1997-08-14 | | Release date: | 1998-10-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Ligand size is a major determinant of specificity in periplasmic oxyanion-binding proteins: the 1.2 A resolution crystal structure of Azotobacter vinelandii ModA.
Structure, 6, 1998
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5I3V
 | | Crystal structure of BACE1 in complex with aminoquinoline compound 1 | | Descriptor: | (2R)-3-[2-amino-6-(3-methylpyridin-2-yl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide, Beta-secretase 1, GLYCEROL, ... | | Authors: | Whittington, D.A, Long, A.M. | | Deposit date: | 2016-02-11 | | Release date: | 2016-03-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase.
J.Med.Chem., 59, 2016
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