6H7M
 
 | | ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND PARTIAL AGONIST SALBUTAMOL AND NANOBODY Nb6B9 | | Descriptor: | Beta-1 adrenergic receptor, Camelid antibody fragment Nb6B9, HEGA-10, ... | | Authors: | Warne, T, Edwards, P.C, Dore, A.S, Leslie, A.G.W, Tate, C.G. | | Deposit date: | 2018-07-31 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Molecular basis for high-affinity agonist binding in GPCRs.
Science, 364, 2019
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7LF7
 | | Fab 6D12 bound to ApoL1 NTD | | Descriptor: | Apolipoprotein L1, ETHANOL, Fab 6D12 heavy chain, ... | | Authors: | Ultsch, M, Kirchhofer, D. | | Deposit date: | 2021-01-15 | | Release date: | 2021-08-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.026 Å) | | Cite: | Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif.
Commun Biol, 4, 2021
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8BJ7
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6GRI
 | | E. coli Microcin synthetase McbBCD complex | | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, Microcin B17-processing protein McbB, ... | | Authors: | Ghilarov, D, Stevenson, C.E.M, Travin, D.Y, Piskunova, J, Serebryakova, M, Maxwell, A, Lawson, D.M, Severinov, K. | | Deposit date: | 2018-06-11 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Architecture of Microcin B17 Synthetase: An Octameric Protein Complex Converting a Ribosomally Synthesized Peptide into a DNA Gyrase Poison.
Mol. Cell, 73, 2019
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7ACC
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7R63
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7A1F
 | | Crystal structure of human 5' exonuclease Appollo in complex with 5'dAMP | | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 5' exonuclease Apollo, FE (III) ION, ... | | Authors: | Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-08-12 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
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6GRZ
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7A22
 | | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-triazolo[4,5-b]pyridine | | Descriptor: | 1,2-ETHANEDIOL, 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha' | | Authors: | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | | Deposit date: | 2020-08-15 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
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8BCR
 | | DENV3 Methyltransferase in complexed with AT-9010 and SAH | | Descriptor: | Genome polyprotein, PHOSPHATE ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Gauffre, P, Fattorini, V, Canard, B, Ferron, F. | | Deposit date: | 2022-10-17 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | AT-752 targets multiple sites and activities on the Dengue virus replication enzyme NS5.
Antiviral Res., 212, 2023
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5WKE
 | | Crystal Structure of Human CD1b in Complex with PS | | Descriptor: | (19S,22S,25R)-25-amino-22-hydroxy-16,22,26-trioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shahine, A, Gras, S, Rossjohn, J. | | Deposit date: | 2017-07-25 | | Release date: | 2017-11-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017
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7R4P
 | | Structure of human hydroxyacid oxidase 1 bound with 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione | | Descriptor: | 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | | Authors: | Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | | Deposit date: | 2022-02-09 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide
To Be Published
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6GSO
 | | Sulfolobus solfataricus 2-keto-3-deoxygluconate aldolase Y132V,T157C variant | | Descriptor: | 1,2-ETHANEDIOL, 2-dehydro-3-deoxy-phosphogluconate/2-dehydro-3-deoxy-6-phosphogalactonate aldolase, GLYCEROL | | Authors: | Crennell, S.J, Danson, M.J, Royer, S. | | Deposit date: | 2018-06-15 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Sulfolobus solfataricus 2-keto-3-deoxygluconate aldolase Y132V,T157C variant
To Be Published
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6R4K
 | | Structure of beta-glucosidase A from Paenibacillus polymyxa complexed with a monovalent inhibitor | | Descriptor: | (2~{S},3~{S},4~{R})-2-[[4-[4-[2-[2-(2-azanylidenehydrazinyl)ethoxy]ethoxy]phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol, Beta-glucosidase A | | Authors: | Jimenez-Ortega, E, Sanz-Aparicio, J. | | Deposit date: | 2019-03-22 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structural basis of the inhibition of GH1 beta-glucosidases by multivalent pyrrolidine iminosugars.
Bioorg.Chem., 89, 2019
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6GT5
 | | METTL16 MTase domain (crystal form 2) | | Descriptor: | U6 small nuclear RNA (adenine-(43)-N(6))-methyltransferase | | Authors: | Chen, K.M, Mendel, M, Homolka, D, McCarthy, A.A, Pillai, R.S. | | Deposit date: | 2018-06-15 | | Release date: | 2018-09-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Methylation of Structured RNA by the m6A Writer METTL16 Is Essential for Mouse Embryonic Development.
Mol. Cell, 71, 2018
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7LU4
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7A4B
 | | Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine | | Descriptor: | 5,6-dibromo-1H-triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, GLYCEROL, ... | | Authors: | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | | Deposit date: | 2020-08-19 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
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6RAU
 | | PostS3_Pmar_lig4_WT | | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP-dependent DNA ligase, DNA (5'-D(*AP*TP*TP*GP*CP*GP*AP*CP*CP*CP*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*A)-3'), ... | | Authors: | Leiros, H.K.S, Williamson, A. | | Deposit date: | 2019-04-08 | | Release date: | 2019-07-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural intermediates of a DNA-ligase complex illuminate the role of the catalytic metal ion and mechanism of phosphodiester bond formation.
Nucleic Acids Res., 47, 2019
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6GX0
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6ZMX
 | | Crystal structure of hemoglobin from turkey (Meleagiris gallopova) crystallized in orthorhombic form at 1.4 Angstrom resolution | | Descriptor: | Hemoglobin beta chain, Hemoglobin subunit alpha-A, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Pandian, R, Shobana, N, Sundaresan, S.S, Sayed, Y, Ponnuswamy, M.N. | | Deposit date: | 2020-07-04 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.389 Å) | | Cite: | Structural studies of hemoglobin from two flightless birds, ostrich and turkey: insights into their differing oxygen-binding properties.
Acta Crystallogr D Struct Biol, 77, 2021
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7RMA
 | | Structure of the fourth UIM (Ubiquitin Interacting Motif) of ANKRD13D in complex with a high affinity UbV (Ubiquitin Variant) | | Descriptor: | Ankyrin repeat domain-containing protein 13D, SODIUM ION, SULFATE ION, ... | | Authors: | Singer, A.U, Manczyk, N, Veggiani, G, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2021-07-27 | | Release date: | 2022-05-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Panel of Engineered Ubiquitin Variants Targeting the Family of Human Ubiquitin Interacting Motifs.
Acs Chem.Biol., 17, 2022
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6RB5
 | | Trypanothione reductase in complex with 4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide | | Descriptor: | 4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Ilari, A, Fiorillo, A, Battista, T, Mocci, S. | | Deposit date: | 2019-04-09 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.977 Å) | | Cite: | Spiro-containing derivatives show antiparasitic activity against Trypanosoma brucei through inhibition of the trypanothione reductase enzyme.
Plos Negl Trop Dis, 14, 2020
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7LWH
 | | Human neurofibromin 2/merlin residues 1-339 in complex with LATS1 | | Descriptor: | GLYCEROL, IMIDAZOLE, Merlin, ... | | Authors: | Primi, M.C, Rangarajan, E.S, Izard, T. | | Deposit date: | 2021-03-01 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.606 Å) | | Cite: | Conformational flexibility determines the Nf2/merlin tumor suppressor functions.
Matrix Biol Plus, 12, 2021
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6ZMZ
 | | UDPG-bound Trehalose transferase from Thermoproteus uzoniensis | | Descriptor: | DI(HYDROXYETHYL)ETHER, Trehalose phosphorylase/synthase, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Authors: | Bento, I, Mestrom, L, Marsden, S.R, van der Eijk, H, Laustsen, J.U, Jeffries, C.M, Svergun, D.I, Hagedoorn, P.-H, Hanefeld, U. | | Deposit date: | 2020-07-05 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars.
Acs Catalysis, 10, 2020
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5FCL
 | | Crystal structure of Cas1 from Pectobacterium atrosepticum | | Descriptor: | CRISPR-associated endonuclease Cas1 | | Authors: | Wilkinson, M.E, Nakatani, Y, Opel-Reading, H.K, Fineran, P.C, Krause, K.L. | | Deposit date: | 2015-12-15 | | Release date: | 2016-03-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural plasticity and in vivo activity of Cas1 from the type I-F CRISPR-Cas system.
Biochem.J., 473, 2016
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