6HI2
 
 | | PI3 Kinase Delta in complex with 3{6[(1S,6R)3oxabicyclo[4.1.0]heptan6yl]pyridin2yl}phenol | | Descriptor: | 3-[6-[(1~{S},6~{R})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Convery, M.A, Summers, D, Peace, S. | | Deposit date: | 2018-08-29 | | Release date: | 2019-09-11 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A theoretical and experimental investigation into the conformational bias of aryl cyclopropylpyrans, novel bioisosteres for N-aryl morpholines.
to be published
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6XKU
 | | R. capsulatus cyt bc1 with one FeS protein in b position and one in c position (CIII2 b-c) | | Descriptor: | Cytochrome b, Cytochrome c1, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F. | | Deposit date: | 2020-06-27 | | Release date: | 2020-12-30 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes.
Nat Commun, 12, 2021
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5WX2
 | | Crystal structure of porcine kidney D-amino acid oxidase mutant (I230A/R283G) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Motojima, F, Yasukawa, K, Ohno, A, Asano, Y. | | Deposit date: | 2017-01-06 | | Release date: | 2018-01-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Tailoring D-amino acid oxidase from the pid kidney to R-stereoselective amine oxidase and its use in the deracemization of 4-chlorobenzhydrylamine
To Be Published
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3L2L
 | | X-ray Crystallographic Analysis of Pig Pancreatic Alpha-Amylase with Limit Dextrin and Oligosaccharide | | Descriptor: | CALCIUM ION, CHLORIDE ION, Pancreatic alpha-amylase, ... | | Authors: | Larson, S.B, Day, J.S, McPherson, A. | | Deposit date: | 2009-12-15 | | Release date: | 2010-04-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | X-ray crystallographic analyses of pig pancreatic alpha-amylase with limit dextrin, oligosaccharide, and alpha-cyclodextrin.
Biochemistry, 49, 2010
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5K30
 | | Crystal structure of methionine gamma-lyase from Citrobacter freundii modified by S-Ethyl-L-cysteine sulfoxide | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Methionine gamma-lyase, ... | | Authors: | Revtovich, S.V, Nikulin, A.D, Morozova, E.A, Demidkina, T.V. | | Deposit date: | 2016-05-19 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Sulfoxides of sulfur-containing amino acids are suicide substrates of Citrobacter freundii methionine gamma-lyase. Structural bases of the enzyme inactivation.
Biochimie, 168, 2020
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6S5S
 | | Cfucosylated second generation peptide dendrimer SBD8 bound to Fucose binding Lectin LecB (PA-IIL) from Pseudomonas aeruginosa at 1.43 Angstrom resolution | | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ... | | Authors: | Baeriswyl, S, Stocker, A, Reymond, J.-L. | | Deposit date: | 2019-07-02 | | Release date: | 2019-08-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.433 Å) | | Cite: | X-Ray Crystal Structure of a Second Generation Peptide Dendrimer in Complex with Pseudomonas aeruginosa Lectin LecB
Helv.Chim.Acta, 2019
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3L3J
 | | Crystal structure of HLA-B*4402 in complex with the F3A/R5A double mutant of a self-peptide derived from DPA*0201 | | Descriptor: | ACETATE ION, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Theodossis, A, Ely, L.K, Rossjohn, J. | | Deposit date: | 2009-12-17 | | Release date: | 2010-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition
Proc.Natl.Acad.Sci.USA, 107, 2010
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6E1Q
 | | AtGH3.15 acyl acid amido synthetase in complex with 2,4-DB | | Descriptor: | (2,4-DICHLOROPHENOXY)ACETIC ACID, AtGH3.15 acyl acid amido synthetase, PHOSPHATE ION | | Authors: | Sharp, A.M, Lee, S.G, Jez, J.M. | | Deposit date: | 2018-07-10 | | Release date: | 2018-10-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.148 Å) | | Cite: | Modification of auxinic phenoxyalkanoic acid herbicides by the acyl acid amido synthetase GH3.15 from Arabidopsis.
J. Biol. Chem., 293, 2018
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3L31
 | | Crystal structure of the CBS and DRTGG domains of the regulatory region of Clostridium perfringens pyrophosphatase complexed with the inhibitor, AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Probable manganase-dependent inorganic pyrophosphatase | | Authors: | Tuominen, H, Salminen, A, Oksanen, E, Jamsen, J, Heikkila, O, Lehtio, L, Magretova, N.N, Goldman, A, Baykov, A.A, Lahti, R. | | Deposit date: | 2009-12-16 | | Release date: | 2010-04-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of the CBS and DRTGG Domains of the Regulatory Region of Clostridiumperfringens Pyrophosphatase Complexed with the Inhibitor, AMP, and Activator, Diadenosine Tetraphosphate.
J.Mol.Biol., 2010
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6DYM
 | | C-terminal condensation domain of Ebony | | Descriptor: | CALCIUM ION, Ebony | | Authors: | Izore, T, Tailhades, J, Hansen, M.H, Kaczmarski, J.A, Jackson, C.J, Cryle, M.J. | | Deposit date: | 2018-07-02 | | Release date: | 2019-01-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5CEZ
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6HKQ
 | | Human GPX4 in complex with covalent Inhibitor ML162 (S enantiomer) | | Descriptor: | (2~{S})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{N}-(2-phenylethyl)-2-thiophen-2-yl-ethanamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Hillig, R.C, Moosmayer, D, Hilpmann, A, Hoffmann, L, Schnirch, L, Eaton, J.K, Badock, V, Gradl, S. | | Deposit date: | 2018-09-07 | | Release date: | 2020-04-01 | | Last modified: | 2022-12-07 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Crystal structures of the selenoprotein glutathione peroxidase 4 in its apo form and in complex with the covalently bound inhibitor ML162.
Acta Crystallogr D Struct Biol, 77, 2021
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6DYR
 | | C-terminal condensation domain of Ebony in complex with Carcinine | | Descriptor: | Ebony, N-[2-(1H-imidazol-5-yl)ethyl]-beta-alaninamide | | Authors: | Izore, T, Tailhades, J, Hansen, M.H, Kaczmarski, J.A, Jackson, C.J, Cryle, M.J. | | Deposit date: | 2018-07-02 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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7LL7
 | | [2]Catenane From MccJ25 Variant G12C G21C | | Descriptor: | GLY-GLY-ALA-GLY-HIS-VAL-PRO-GLU-TYR-PHE, VAL-CYS-ILE-GLY-THR-PRO-ILE-SER-PHE-TYR-CYS | | Authors: | Link, A.J, Schroeder, H.V. | | Deposit date: | 2021-02-03 | | Release date: | 2021-08-04 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Dynamic covalent self-assembly of mechanically interlocked molecules solely made from peptides.
Nat.Chem., 13, 2021
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8TOM
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8PNX
 | | Crystal structure of D-amino acid aminotransferase from Blastococcus saxobsidens in PMP form | | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Branched-chain amino acid aminotransferase/4-amino-4-deoxychorismate lyase, ... | | Authors: | Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Shilova, S.A, Popov, V.O. | | Deposit date: | 2023-07-03 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural determinants of dual substrate recognition in the transaminase from Blastococcus saxobsidens specific to D-amino acids and R-amines
To Be Published
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5KH3
 | | Crystal structure of fragment (3-(5-Chloro-1,3-benzothiazol-2-yl)propanoic acid) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | 3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | Harding, R.J, Dong, A, Ravichandran, M, Ferreira de Freitas, R, Schapira, M, Bountra, C, Edwards, A.M, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-14 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
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6HKI
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6E3J
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6E3I
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6S85
 | | Cutting state of the E. coli Mre11-Rad50 (SbcCD) head complex bound to ADP and dsDNA. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (31-MER), DNA (32-MER), ... | | Authors: | Kaeshammer, L, Saathoff, J.H, Gut, F, Bartho, J, Alt, A, Kessler, B, Lammens, K, Hopfner, K.P. | | Deposit date: | 2019-07-08 | | Release date: | 2019-09-04 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Mechanism of DNA End Sensing and Processing by the Mre11-Rad50 Complex.
Mol.Cell, 76, 2019
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8J8Z
 | | Structure of beta-arrestin1 in complex with D6Rpp | | Descriptor: | Atypical chemokine receptor 2, Beta-arrestin-1, Fab30 Heavy Chain, ... | | Authors: | Maharana, J, Sarma, P, Yadav, M.K, Chami, M, Banerjee, R, Shukla, A.K. | | Deposit date: | 2023-05-02 | | Release date: | 2023-12-27 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Molecular insights into atypical modes of beta-arrestin interaction with seven transmembrane receptors.
Science, 383, 2024
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8J8V
 | | Structure of beta-arrestin2 in complex with D6Rpp (Local Refine) | | Descriptor: | Atypical chemokine receptor 2, Beta-arrestin-2, Fab30 Heavy Chain, ... | | Authors: | Maharana, J, Sarma, P, Yadav, M.K, Chami, M, Banerjee, R, Shukla, A.K. | | Deposit date: | 2023-05-02 | | Release date: | 2023-12-27 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Molecular insights into atypical modes of beta-arrestin interaction with seven transmembrane receptors.
Science, 383, 2024
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6RID
 | | Structure of Vaccinia Virus DNA-dependent RNA polymerase elongation complex | | Descriptor: | DNA-dependent RNA polymerase subunit rpo132, DNA-dependent RNA polymerase subunit rpo147, DNA-dependent RNA polymerase subunit rpo18, ... | | Authors: | Hillen, H.S, Bartuli, J, Grimm, C, Dienemann, C, Bedenk, K, Szalar, A, Fischer, U, Cramer, P. | | Deposit date: | 2019-04-23 | | Release date: | 2019-12-18 | | Last modified: | 2019-12-25 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural Basis of Poxvirus Transcription: Transcribing and Capping Vaccinia Complexes.
Cell, 179, 2019
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5JP6
 | | Bdellovibrio bacteriovorus peptidoglycan deacetylase Bd3279 | | Descriptor: | MAGNESIUM ION, Putative polysaccharide deacetylase, ZINC ION | | Authors: | Lovering, A.L. | | Deposit date: | 2016-05-03 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Interrupting peptidoglycan deacetylation during Bdellovibrio predator-prey interaction prevents ultimate destruction of prey wall, liberating bacterial-ghosts.
Sci Rep, 6, 2016
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