5N7Q
 
 | | CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE INHIBITOR PEPSTATIN A | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, PEPSTATIN A, ... | | Authors: | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | | Deposit date: | 2017-02-21 | | Release date: | 2017-12-27 | | Last modified: | 2018-06-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
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1HAJ
 | | A beta-Hairpin Structure in a 13-mer Peptide that Binds a-Bungarotoxin with High Affinity and Neutralizes its Toxicity | | Descriptor: | ALPHA-BUNGAROTOXIN, PEPTIDE | | Authors: | Scherf, T, Kasher, R, Balass, M, Fridkin, M, Fuchs, S, Katchalski-Katzir, E. | | Deposit date: | 2001-04-05 | | Release date: | 2001-05-25 | | Last modified: | 2015-09-30 | | Method: | SOLUTION NMR | | Cite: | A Beta-Hairpin Structure in a 13-mer Peptide that Binds Alpha-Bungarotoxin with High Affinity and Neutralizes its Toxicity
Proc.Natl.Acad.Sci.USA, 98, 2001
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6F65
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6Y9N
 | | Crystal structure of Whirlin PDZ3_C-ter in complex with Myosin 15a C-terminal PDZ binding motif peptide | | Descriptor: | Unconventional myosin-XV, Whirlin | | Authors: | Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N. | | Deposit date: | 2020-03-10 | | Release date: | 2020-10-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners.
J.Mol.Biol., 432, 2020
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6Y9O
 | | Crystal structure of Whirlin PDZ3_C-ter in complex with CASK internal PDZ binding motif peptide | | Descriptor: | Peripheral plasma membrane protein CASK, Whirlin | | Authors: | Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N. | | Deposit date: | 2020-03-10 | | Release date: | 2020-10-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.632 Å) | | Cite: | Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners.
J.Mol.Biol., 432, 2020
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6T21
 | | N-terminal domain of EcoKMcrA restriction endonuclease (NEco) in complex with T5mCGA target sequence | | Descriptor: | 5-methylcytosine-specific restriction enzyme A, DNA (5'-D(*GP*AP*AP*TP*(5CM)P*GP*AP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*AP*TP*(5CM)P*GP*AP*TP*TP*C)-3') | | Authors: | Slyvka, A, Zagorskaite, E, Czapinska, H, Sasnauskas, G, Bochtler, M. | | Deposit date: | 2019-10-07 | | Release date: | 2019-10-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal structure of the EcoKMcrA N-terminal domain (NEco): recognition of modified cytosine bases without flipping.
Nucleic Acids Res., 47, 2019
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6JN9
 | | Cryo-EM structure of glutamate dehydrogenase from Thermococcus profundus | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutamate dehydrogenase | | Authors: | Oide, M, Kato, T, Oroguchi, T, Nakasako, M. | | Deposit date: | 2019-03-14 | | Release date: | 2020-02-12 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Energy landscape of domain motion in glutamate dehydrogenase deduced from cryo-electron microscopy.
Febs J., 287, 2020
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6JNC
 | | Cryo-EM structure of glutamate dehydrogenase from Thermococcus profundus | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutamate dehydrogenase | | Authors: | Oide, M, Kato, T, Oroguchi, T, Nakasako, M. | | Deposit date: | 2019-03-14 | | Release date: | 2020-02-12 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Energy landscape of domain motion in glutamate dehydrogenase deduced from cryo-electron microscopy.
Febs J., 287, 2020
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3LNZ
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3LOE
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6T2R
 | | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | | Descriptor: | Beta-glycosidase, SULFATE ION | | Authors: | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | | Deposit date: | 2019-10-09 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown.
Nat Commun, 11, 2020
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5MYN
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK445886A at 1.56A resolution | | Descriptor: | HTH-type transcriptional regulator EthR, ~{N}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine | | Authors: | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | | Deposit date: | 2017-01-27 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.564 Å) | | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
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6T2S
 | | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | | Descriptor: | Glycoside hydrolase family 16 protein, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose | | Authors: | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | | Deposit date: | 2019-10-09 | | Release date: | 2020-07-08 | | Last modified: | 2020-08-26 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown.
Nat Commun, 11, 2020
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5MYT
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK921295A at 1.61A resolution | | Descriptor: | 4-methylsulfanyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide, HTH-type transcriptional regulator EthR | | Authors: | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | | Deposit date: | 2017-01-27 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
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6T3C
 | | Crystal structure of PI3Kgamma in complex with DNA-PK inhibitor AZD7648 | | Descriptor: | 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | | Deposit date: | 2019-10-10 | | Release date: | 2020-01-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor.
J.Med.Chem., 63, 2020
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6CWV
 | | Protein Tyrosine Phosphatase 1B A122S mutant | | Descriptor: | MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Hjortness, M, Zwart, P, Sankaran, B, Fox, J.M. | | Deposit date: | 2018-03-31 | | Release date: | 2018-10-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.98002291 Å) | | Cite: | Evolutionarily Conserved Allosteric Communication in Protein Tyrosine Phosphatases.
Biochemistry, 57, 2018
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7B9W
 | | Crystal structure of MurE from E.coli in complex with Z757284380 | | Descriptor: | 1,2-ETHANEDIOL, 3-Chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase | | Authors: | Koekemoer, L, Steindel, M, Fairhead, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-14 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal structure of MurE from E.coli
To Be Published
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1WI6
 | | Solution structure of the RNA binding domain from mouse hypothetical protein BAB23670 | | Descriptor: | Hypothetical protein (RIKEN cDNA 1300006N24) | | Authors: | Suzuki, S, Muto, Y, Nagata, T, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-05-28 | | Release date: | 2005-06-07 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the RNA binding domain from mouse hypothetical protein BAB23670
To be Published
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8GPM
 | | Acinetobacter baumannii carbonic anhydrase | | Descriptor: | CALCIUM ION, Carbonic anhydrase, GLYCEROL, ... | | Authors: | Wen, Y, Jiao, M. | | Deposit date: | 2022-08-26 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Acinetobacter baumannii carbonic anhydrase
Structure, 2023
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2RA8
 | | Crystal structure of the Q64V53_BACFR protein from Bacteroides fragilis. Northeast Structural Genomics Consortium target BfR43 | | Descriptor: | Uncharacterized protein Q64V53_BACFR | | Authors: | Vorobiev, S.M, Abashidze, M, Seetharaman, J, Wang, D, Cunningham, K, Maglaqui, M, Owens, L, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-09-14 | | Release date: | 2007-09-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of the Q64V53_BACFR protein from Bacteroides fragilis.
To be Published
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6F69
 | | Crystal structure of glutathione transferase Omega 3S from Trametes versicolor in complex with 2,3,4-Trihydroxybenzophenone | | Descriptor: | 2,3,4-Trihydroxybenzophenone, ACETATE ION, CALCIUM ION, ... | | Authors: | Schwartz, M, Favier, F, Didierjean, C. | | Deposit date: | 2017-12-05 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Molecular recognition of wood polyphenols by phase II detoxification enzymes of the white rot Trametes versicolor.
Sci Rep, 8, 2018
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3LVJ
 | | Crystal Structure of E.coli IscS-TusA complex (form 1) | | Descriptor: | Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE, Sulfurtransferase tusA | | Authors: | Shi, R, Proteau, A, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2010-02-22 | | Release date: | 2010-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.435 Å) | | Cite: | Structural basis for Fe-S cluster assembly and tRNA thiolation mediated by IscS protein-protein interactions.
Plos Biol., 8, 2010
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5GU5
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6Y9Q
 | | Crystal structure of Whirlin PDZ3_C-ter in complex with Taperin internal PDZ binding motif peptide | | Descriptor: | Taperin, Whirlin | | Authors: | Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N. | | Deposit date: | 2020-03-10 | | Release date: | 2020-10-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.315 Å) | | Cite: | Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners.
J.Mol.Biol., 432, 2020
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6TAJ
 | | Crystal structure of Escherichia coli Orotate Phosphoribosyltransferase in complex with Orotic acid 1.60 Angstrom resolution | | Descriptor: | GLYCEROL, OROTIC ACID, Orotate phosphoribosyltransferase | | Authors: | Navas-Yuste, S, Lopez-Estepa, M, Gomez, S, Fernandez, F.J, Vega, M.C. | | Deposit date: | 2019-10-29 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Elucidating the Catalytic Reaction Mechanism of Orotate Phosphoribosyltransferase by Means of X-ray Crystallography and Computational Simulations
Acs Catalysis, 10, 2020
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