8OVN
 
 | | X-ray structure of the SF-iGluSnFR-S72A | | Descriptor: | CITRIC ACID, Putative periplasmic binding transport protein,Green fluorescent protein | | Authors: | Tarnawski, M, Hellweg, L, Bergner, A, Hiblot, J, Leippe, P, Johnsson, K. | | Deposit date: | 2023-04-26 | | Release date: | 2023-05-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | X-ray structure of the SF-iGluSnFR-S72A
To Be Published
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8OVO
 | | X-ray structure of the SF-iGluSnFR-S72A in complex with L-aspartate | | Descriptor: | ASPARTIC ACID, Putative periplasmic binding transport protein,Green fluorescent protein | | Authors: | Tarnawski, M, Hellweg, L, Bergner, A, Hiblot, J, Leippe, P, Johnsson, K. | | Deposit date: | 2023-04-26 | | Release date: | 2023-05-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray structure of the SF-iGluSnFR-S72A in complex with L-aspartate
To Be Published
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8OVP
 | | X-ray structure of the iAspSnFR in complex with L-aspartate | | Descriptor: | ACETATE ION, ASPARTIC ACID, MAGNESIUM ION, ... | | Authors: | Tarnawski, M, Hellweg, L, Bergner, A, Hiblot, J, Leippe, P, Johnsson, K. | | Deposit date: | 2023-04-26 | | Release date: | 2023-05-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray structure of the SF-iAspSnFR in complex with L-aspartate
To Be Published
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8X45
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8OKN
 | | Crystal structure of F2F-2020198-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | | Authors: | Costanzi, E, Demitri, N, Storici, P. | | Deposit date: | 2023-03-28 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
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6FXL
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7LZA
 | | Activated form of VanR from S. coelicolor | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Putative two-component system response regulator | | Authors: | Maciunas, L.J, Loll, P.J. | | Deposit date: | 2021-03-09 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structures of full-length VanR from Streptomyces coelicolor in both the inactive and activated states.
Acta Crystallogr D Struct Biol, 77, 2021
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1HHW
 | | Solution structure of LNA1:RNA hybrid | | Descriptor: | 5- D(*CP*TP*GP*AP*+TLNP*AP*TP*GP*C) -3, 5- R(*GP*CP*AP*UP*AP*UP*CP*AP*G) -3 | | Authors: | Petersen, M, Bondensgaard, K, Wengel, J, Jacobsen, J.P. | | Deposit date: | 2000-12-29 | | Release date: | 2002-05-30 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Locked Nucleic Acid (Lna) Recognition of RNA: NMR Solution Structures of Lna:RNA Hybrids
J.Am.Chem.Soc., 124, 2002
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2Y1K
 | | STRUCTURE OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY CBDP (12H SOAK): PHOSPHOSERINE ADDUCT | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CHOLINESTERASE, ... | | Authors: | Carletti, E, Colletier, J.P, Nachon, F, Weik, M. | | Deposit date: | 2010-12-08 | | Release date: | 2011-06-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Reaction of Cresyl Saligenin Phosphate, the Organophosphorus Agent Implicated in Aerotoxic Syndrome, with Human Cholinesterases: Mechanistic Studies Employing Kinetics, Mass Spectrometry, and X-Ray Structure Analysis.
Chem.Res.Toxicol., 24, 2011
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2XSW
 | | Crystal structure of human INPP5E | | Descriptor: | 72 KDA INOSITOL POLYPHOSPHATE 5-PHOSPHATASE, CHLORIDE ION, GLYCEROL | | Authors: | Tresaugues, L, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, Van Der Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Nordlund, P. | | Deposit date: | 2010-09-30 | | Release date: | 2010-11-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Human Inpp5E
To be Published
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7U1N
 | | Crystal structure of the Anopheles darlingi AD-118 long form D7 salivary protein | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-ETHOXYETHANOL, ... | | Authors: | Alvarenga, P.H, Gittis, A.G, Garboczi, D.N, Andersen, J.F. | | Deposit date: | 2022-02-21 | | Release date: | 2022-05-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Functional aspects of evolution in a cluster of salivary protein genes from mosquitoes.
Insect Biochem.Mol.Biol., 146, 2022
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7LZ9
 | | Inactive form of VanR from S. coelicolor | | Descriptor: | MAGNESIUM ION, Putative two-component system response regulator | | Authors: | Maciunas, L.J, Loll, P.J. | | Deposit date: | 2021-03-09 | | Release date: | 2021-07-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of full-length VanR from Streptomyces coelicolor in both the inactive and activated states.
Acta Crystallogr D Struct Biol, 77, 2021
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1PVR
 | | BASIS FOR A SWITCH IN SUBSTRATE SPECIFICITY: CRYSTAL STRUCTURE OF SELECTED VARIANT OF CRE SITE-SPECIFIC RECOMBINASE, LNSGG BOUND TO THE LOXP (WILDTYPE) RECOGNITION SITE | | Descriptor: | 34-MER, Recombinase CRE | | Authors: | Baldwin, E.P, Martin, S.S, Abel, J, Gelato, K.A, Kim, H, Schultz, P.G, Santoro, S.W. | | Deposit date: | 2003-06-28 | | Release date: | 2004-02-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A specificity switch in selected cre recombinase variants is mediated by macromolecular plasticity and water.
Chem.Biol., 10, 2003
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6FMJ
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-Acetamidopropanethioyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl) benzyl)pyrrolidine-2-carboxamide (ligand 3) | | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-acetamidopropanethioyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Soares, P, Lucas, X, Ciulli, A. | | Deposit date: | 2018-01-31 | | Release date: | 2018-04-11 | | Last modified: | 2018-06-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Thioamide substitution to probe the hydroxyproline recognition of VHL ligands.
Bioorg. Med. Chem., 26, 2018
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7TX8
 | | Long form D7 protein from Anopheles darlingi with U46619 and serotonin bound | | Descriptor: | (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, Long form D7 salivary protein, SEROTONIN | | Authors: | Andersen, J.F, Alvarenga, P.H. | | Deposit date: | 2022-02-08 | | Release date: | 2022-06-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Functional aspects of evolution in a cluster of salivary protein genes from mosquitoes.
Insect Biochem.Mol.Biol., 146, 2022
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8UAE
 | | E. coli Sir2_HerA complex (12:6) with ATPgamaS | | Descriptor: | MAGNESIUM ION, Nucleoside triphosphate hydrolase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Shen, Z.F, Lin, Q.P, Fu, T.M. | | Deposit date: | 2023-09-20 | | Release date: | 2023-12-27 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense.
Mol.Cell, 83, 2023
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4R62
 | | Structure of Rad6~Ub | | Descriptor: | ACETATE ION, Ubiquitin-40S ribosomal protein S27a, Ubiquitin-conjugating enzyme E2 2 | | Authors: | Kumar, P, Wolberger, C. | | Deposit date: | 2014-08-22 | | Release date: | 2015-09-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Role of a non-canonical surface of Rad6 in ubiquitin conjugating activity.
Nucleic Acids Res., 43, 2015
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4OCS
 | | Crystal structure of human Fab CAP256-VRC26.10, a potent V1V2-directed HIV-1 neutralizing antibody | | Descriptor: | CAP256-VRC26.10 heavy chain, CAP256-VRC26.10 light chain | | Authors: | Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D. | | Deposit date: | 2014-01-09 | | Release date: | 2014-02-26 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
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1PZU
 | | An asymmetric NFAT1-RHR homodimer on a pseudo-palindromic, Kappa-B site | | Descriptor: | 5'-D(*AP*AP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*TP*C)-3', 5'-D(*TP*TP*GP*AP*GP*GP*AP*AP*TP*TP*TP*CP*CP*A)-3', Nuclear factor of activated T-cells, ... | | Authors: | Jin, L, Sliz, P, Chen, L, Macian, F, Rao, A, Hogan, P.G, Harrison, S.C. | | Deposit date: | 2003-07-14 | | Release date: | 2003-09-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | An asymmetric NFAT1 dimer on a pseudo-palindromic KB-like DNA site
Nat.Struct.Biol., 10, 2003
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8OVI
 | | BRICHOS monomer | | Descriptor: | Pulmonary surfactant-associated protein C (Fragment) | | Authors: | Ghosh, D, Torres, F, Guentert, P, Riek, R. | | Deposit date: | 2023-04-26 | | Release date: | 2024-06-26 | | Method: | SOLUTION NMR | | Cite: | The inhibitory action of the chaperone BRICHOS against the alpha-Synuclein secondary nucleation pathway at near-atomic resolution
To Be Published
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7LT2
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1HTF
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7U0C
 | | Crystal structure of broadly neutralizing antibody HEPC3.4 | | Descriptor: | HEPC3.4 Fab Heavy Chain, HEPC3.4 Fab Light Chain | | Authors: | Flyak, A.I, Bjorkman, P.J. | | Deposit date: | 2022-02-17 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Computational identification of HCV neutralizing antibodies with a common HCDR3 disulfide bond motif in the antibody repertoires of infected individuals.
Nat Commun, 13, 2022
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5GN6
 | | Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with cumarin derivative-17b | | Descriptor: | 4-butyl-7,8-bis(oxidanyl)chromen-2-one, GLYCEROL, Glycerol kinase | | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Tsuge, T, May, B, Sato, T, Kido, Y, Takeshi, N, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Watanabe, Y, Moore, A.L, Harada, S, Kita, K. | | Deposit date: | 2016-07-19 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei.
Faseb J., 33, 2019
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6FSG
 | | Crystal structure of oxidised Flavodoxin 1 from Bacillus cereus (1.27 A resolution) | | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin, SULFATE ION, ... | | Authors: | Gudim, I, Lofstad, M, Hersleth, H.-P. | | Deposit date: | 2018-02-19 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | High-resolution crystal structures reveal a mixture of conformers of the Gly61-Asp62 peptide bond in an oxidized flavodoxin from Bacillus cereus.
Protein Sci., 27, 2018
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