4FQR
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1BGK
| SEA ANEMONE TOXIN (BGK) WITH HIGH AFFINITY FOR VOLTAGE DEPENDENT POTASSIUM CHANNEL, NMR, 15 STRUCTURES | Descriptor: | BGK | Authors: | Dauplais, M, Lecoq, A, Song, J, Cotton, J, Jamin, N, Gilquin, B, Roumestand, C, Vita, C, Harvey, A, Menez, A. | Deposit date: | 1996-05-08 | Release date: | 1997-01-27 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | On the convergent evolution of animal toxins. Conservation of a diad of functional residues in potassium channel-blocking toxins with unrelated structures. J.Biol.Chem., 272, 1997
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1BHA
| THREE-DIMENSIONAL STRUCTURE OF (1-71) BACTERIOOPSIN SOLUBILIZED IN METHANOL-CHLOROFORM AND SDS MICELLES DETERMINED BY 15N-1H HETERONUCLEAR NMR SPECTROSCOPY | Descriptor: | BACTERIORHODOPSIN | Authors: | Pervushin, K.V, Orekhov, V.Y, Popov, A.I, Musina, L.Y, Arseniev, A.S. | Deposit date: | 1993-10-11 | Release date: | 1994-01-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Three-dimensional structure of (1-71)bacterioopsin solubilized in methanol/chloroform and SDS micelles determined by 15N-1H heteronuclear NMR spectroscopy. Eur.J.Biochem., 219, 1994
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6ETU
| Crystal structure of KDM4D with tetrazolhydrazide compound 7 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-10-27 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases. Chemmedchem, 14, 2019
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4F65
| Crystal structure of Human Fibroblast Growth Factor Receptor 1 Kinase domain in complex with compound 8 | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine, Fibroblast growth factor receptor 1, ... | Authors: | Norman, R.A, Breed, J, Ogg, D. | Deposit date: | 2012-05-14 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Protein-Ligand Crystal Structures Can Guide the Design of Selective Inhibitors of the FGFR Tyrosine Kinase. J.Med.Chem., 55, 2012
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4YW6
| Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA | Descriptor: | CALCIUM ION, N-[(2S)-6-amino-1-oxo-1-(pyrrolidin-1-yl)hexan-2-yl]-4-(beta-D-galactopyranosyloxy)benzamide, PA-I galactophilic lectin | Authors: | Visini, R, Jin, X, Michaud, G, Bergmann, M, Gillon, E, Imberty, A, Stocker, A, Darbre, T, Pieters, R, Reymond, J.-L. | Deposit date: | 2015-03-20 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Insight into Multivalent Galactoside Binding to Pseudomonas aeruginosa Lectin LecA. Acs Chem.Biol., 10, 2015
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6F8O
| AKR1B1 at 3.45 MGy radiation dose. | Descriptor: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Castellvi, A, Juanhuix, J. | Deposit date: | 2017-12-13 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation. Sci Rep, 9, 2019
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4YO9
| HKU4 3CLpro unbound structure | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3C-like proteinase, ACETATE ION, ... | Authors: | St John, S.E, Mesecar, A. | Deposit date: | 2015-03-11 | Release date: | 2015-08-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS). Bioorg.Med.Chem., 23, 2015
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6F90
| Structure of the family GH92 alpha-mannosidase BT3130 from Bacteroides thetaiotaomicron in complex with Mannoimidazole (ManI) | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, Alpha-1,2-mannosidase, putative, ... | Authors: | Thompson, A.J, Spears, R.J, Zhu, Y, Suits, M.D.L, Williams, S.J, Gilbert, H.J, Davies, G.J. | Deposit date: | 2017-12-13 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif. Acta Crystallogr D Struct Biol, 74, 2018
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6F9P
| Crystal structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO5 with Re(II) | Descriptor: | CHLORIDE ION, GLYCEROL, L-lysine 4-hydroxylase, ... | Authors: | Isabet, T, Stura, E, Legrand, P, Zaparucha, A, Bastard, K. | Deposit date: | 2017-12-15 | Release date: | 2018-11-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family. Sci Rep, 8, 2018
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4YWH
| CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM ACTINOBACILLUS SUCCINOGENES 130Z (Asuc_0499, TARGET EFI-511068) WITH BOUND D-XYLOSE | Descriptor: | ABC TRANSPORTER SOLUTE BINDING PROTEIN, beta-D-xylopyranose | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-03-20 | Release date: | 2015-04-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM ACTINOBACILLUS SUCCINOGENES 130Z (Asuc_0499, TARGET EFI-511068) WITH BOUND D-XYLOSE To be published
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7SHJ
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3M5A
| SET7/9 Y245A in complex with TAF10-K189me3 peptide and AdoHcy | Descriptor: | COBALT (II) ION, GLYCEROL, Histone-lysine N-methyltransferase SETD7, ... | Authors: | Del Rizzo, P.A, Couture, J.-F, Roiko, M.S, Strunk, B.S, Brunzelle, J.S, Dirk, L.M, Houtz, R.L, Trievel, R.C. | Deposit date: | 2010-03-12 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | SET7/9 catalytic mutants reveal the role of active site water molecules in lysine multiple methylation. J.Biol.Chem., 285, 2010
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4Y3R
| Endothiapepsin in complex with fragment 306 | Descriptor: | 2-chlorobenzyl carbamimidothioate, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Wang, X, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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5GZU
| Crystal Structure of Chitinase ChiW from Paenibacillus sp. str. FPU-7 Reveals a Novel Type of Bacterial Cell-Surface-Expressed Multi-Modular Enzyme Machinery | Descriptor: | Chitinase, PHOSPHATE ION | Authors: | Itoh, T, Hibi, T, Suzuki, F, Sugimoto, I, Fujiwara, A, Inaka, K, Tanaka, H, Ohta, K, Fujii, Y, Taketo, A, Kimoto, H. | Deposit date: | 2016-10-01 | Release date: | 2016-12-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystal Structure of Chitinase ChiW from Paenibacillus sp. str. FPU-7 Reveals a Novel Type of Bacterial Cell-Surface-Expressed Multi-Modular Enzyme Machinery PLoS ONE, 11, 2016
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6MGX
| Crystal Structure of the New Deli Metallo Beta Lactamase Variant 6 Klebsiella pneumoniae | Descriptor: | Metallo-beta-lactamase, SULFATE ION, ZINC ION | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-09-16 | Release date: | 2018-10-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of the New Deli Metallo Beta Lactamase Variant 6 Klebsiella pneumoniae To Be Published
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4YQY
| Crystal Structure of a putative Dehydrogenase from Sulfitobacter sp. (COG1028) (TARGET EFI-513936) in its APO form | Descriptor: | MAGNESIUM ION, Putative Dehydrogenase | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-03-13 | Release date: | 2015-03-25 | Method: | X-RAY DIFFRACTION (1.381 Å) | Cite: | Crystal Structure of a putative Dehydrogenase from Sulfitobacter sp. (COG1028, TARGET EFI-513936) in its APO form To be published
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6BF8
| Cryo-EM structure of human insulin degrading enzyme in complex with insulin | Descriptor: | Insulin-degrading enzyme | Authors: | Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J. | Deposit date: | 2017-10-26 | Release date: | 2018-04-04 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme. Elife, 7, 2018
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5YBG
| Crystal structure of the GluA2o LBD in complex with glutamate and LY451395 | Descriptor: | ACETATE ION, GLUTAMIC ACID, GLYCEROL, ... | Authors: | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | Deposit date: | 2017-09-04 | Release date: | 2018-01-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | HBT1, a Novel AMPA Receptor Potentiator with Lower Agonistic Effect, Avoided Bell-Shaped Response in In Vitro BDNF Production. J. Pharmacol. Exp. Ther., 364, 2018
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6EXW
| Crystal structure of cIAP1-BIR3 in complex with a covalently bound SM | Descriptor: | (3~{S},6~{S},7~{R},9~{a}~{S})-6-[[(2~{S})-2-(methylamino)propanoyl]amino]-5-oxidanylidene-~{N}-(phenylmethyl)-7-[(propanoylamino)methyl]-3,6,7,8,9,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | Authors: | Corti, A, Cossu, F, Milani, M, Mastrangelo, E. | Deposit date: | 2017-11-10 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-based design and molecular profiling of Smac-mimetics selective for cellular IAPs. FEBS J., 285, 2018
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3M7Q
| Crystal structure of recombinant Kunitz Type serine protease Inhibitor-1 from the Caribbean sea anemone stichodactyla helianthus in complex with bovine pancreatic trypsin | Descriptor: | Cationic trypsin, Kunitz-type proteinase inhibitor SHPI-1, PHOSPHATE ION | Authors: | Garcia-Fernandez, R, Redecke, L, Pons, T, Perbandt, M, Gil, D, Talavera, A, Gonzalez, Y, de los angeles Chavez, M, Betzel, C. | Deposit date: | 2010-03-17 | Release date: | 2011-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insights into serine protease inhibition by a marine invertebrate BPTI Kunitz-type inhibitor. J.Struct.Biol., 180, 2012
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7ZE0
| Solution structure of the PulM C-terminal domain from Klebsiella oxytoca | Descriptor: | Type II secretion system protein M | Authors: | Lopez-Castilla, A, Bardiaux, B, Nilges, M, Francetic, O, Izadi-Pruneyre, N. | Deposit date: | 2022-03-30 | Release date: | 2023-01-18 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structure and dynamic association of an assembly platform subcomplex of the bacterial type II secretion system. Structure, 31, 2023
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7N3C
| Crystal Structure of Human Fab S24-202 in the complex with the N-terminal Domain of Nucleocapsid protein from SARS CoV-2 | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, Nucleoprotein, ... | Authors: | Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-05-31 | Release date: | 2021-07-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies. Iscience, 27, 2024
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7N3D
| Crystal Structure of Human Fab S24-1564 in the complex with the N-terminal Domain of Nucleocapsid protein from SARS CoV-2 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Nucleoprotein, ... | Authors: | Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-05-31 | Release date: | 2021-07-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies. Iscience, 27, 2024
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6Y7J
| Structure of the BRD9 bromodomain and compound 15 | Descriptor: | 1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone, ACETATE ION, Bromodomain-containing protein 9, ... | Authors: | Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M. | Deposit date: | 2020-03-01 | Release date: | 2021-03-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of the BRD9 bromodomain To Be Published
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