8V86
 
 | | Alpha7-nicotinic acetylcholine receptor bound to GAT107 | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | | Deposit date: | 2023-12-04 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.47 Å) | | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
|
|
6XNY
 | | Structure of RAG1 (R848M/E649V)-RAG2-DNA Strand Transfer Complex (Paired-Form) | | Descriptor: | 12RSS integration strand (55-mer), 12RSS signal DNA top strand (34-mer), 23RSS integration strand (66-mer), ... | | Authors: | Zhang, Y, Corbett, E, Wu, S, Schatz, D.G. | | Deposit date: | 2020-07-05 | | Release date: | 2020-08-26 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis for the activation and suppression of transposition during evolution of the RAG recombinase.
Embo J., 39, 2020
|
|
6FZV
 | |
5K0D
 | | Crystal structure of laccase from Thermus thermophilus HB27 (Cu(II)-cyclophanes, 3 min) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Laccase | | Authors: | Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Stojanoff, V, Rudino-Pinera, E. | | Deposit date: | 2016-05-17 | | Release date: | 2017-05-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.824 Å) | | Cite: | Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase
To be Published
|
|
6CY6
 | | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Escherichia coli in complex with tris(hydroxymethyl)aminomethane. | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-04-04 | | Release date: | 2018-04-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Analysis of crystalline and solution states of ligand-free spermidine N-acetyltransferase (SpeG) from Escherichia coli.
Acta Crystallogr D Struct Biol, 75, 2019
|
|
4WUC
 | | N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from 100 mM NaCl condition | | Descriptor: | CHLORIDE ION, DNA gyrase subunit B, MAGNESIUM ION, ... | | Authors: | Hearnshaw, S.J, Chung, T.T, Stevenson, C.E.M, Maxwell, A, Lawson, D.M. | | Deposit date: | 2014-10-31 | | Release date: | 2015-04-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The role of monovalent cations in the ATPase reaction of DNA gyrase
Acta Crystallogr.,Sect.D, 71, 2015
|
|
6Q4C
 | | CDK2 in complex with FragLite16 | | Descriptor: | 4-bromanyl-1,8-naphthyridine, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
|
|
6XVB
 | | Crystal structure of the kinase domain of human c-KIT with a cyclic imidate inhibitor covalently bound to Cys788 | | Descriptor: | Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | | Deposit date: | 2020-01-21 | | Release date: | 2020-05-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
|
|
6Q4F
 | | CDK2 in complex with FragLite32 | | Descriptor: | Cyclin-dependent kinase 2, PYRIDINE-2,6-DIAMINE | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
|
|
3B1Q
 | | Structure of Burkholderia thailandensis nucleoside kinase (BthNK) in complex with inosine | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ACETATE ION, INOSINE, ... | | Authors: | Yasutake, Y, Ota, H, Hino, E, Sakasegawa, S, Tamura, T. | | Deposit date: | 2011-07-05 | | Release date: | 2011-11-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures of Burkholderia thailandensis nucleoside kinase: implications for the catalytic mechanism and nucleoside selectivity
Acta Crystallogr.,Sect.D, 67, 2011
|
|
6Q68
 | |
8AC6
 | | Nudaurelia capensis omega virus maturation intermediate captured at pH5.6 (insect cell expressed VLPs): medium class from symmetry expansion | | Descriptor: | p70 | | Authors: | Castells-Graells, R, Hesketh, E.L, Johnson, J.E, Ranson, N.A, Lawson, D.M, Lomonossoff, G.P. | | Deposit date: | 2022-07-05 | | Release date: | 2022-12-28 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.63 Å) | | Cite: | Decoding virus maturation with cryo-EM structures of intermediates
To be published
|
|
8ACH
 | | Nudaurelia capensis omega virus maturation intermediate captured at pH5.6 (insect cell expressed VLPs): large class from symmetry expansion | | Descriptor: | p70 | | Authors: | Castells-Graells, R, Hesketh, E.L, Johnson, J.E, Ranson, N.A, Lawson, D.M, Lomonossoff, G.P. | | Deposit date: | 2022-07-05 | | Release date: | 2022-12-28 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.91 Å) | | Cite: | Decoding virus maturation with cryo-EM structures of intermediates
To be published
|
|
6D1O
 | | FT_5 dioxygenase apoenzyme | | Descriptor: | (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase | | Authors: | Rydel, T.J, Halls, C.E. | | Deposit date: | 2018-04-12 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
|
|
5NCN
 | | Crystal structure Dbf2(NTR)-Mob1 complex | | Descriptor: | CHLORIDE ION, Cell cycle protein kinase DBF2, DBF2 kinase activator protein MOB1, ... | | Authors: | Gogl, G, Remenyi, A, Parker, B, Weiss, E. | | Deposit date: | 2017-03-06 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.501 Å) | | Cite: | Ndr/Lats Kinases Bind Specific Mob-Family Coactivators through a Conserved and Modular Interface.
Biochemistry, 2020
|
|
6W6N
 | |
8AAY
 | | Nudaurelia capensis omega virus maturation intermediate captured at pH5.6 (insect cell expressed VLPs): small class from symmetry expansion | | Descriptor: | p70 | | Authors: | Castells-Graells, R, Hesketh, E.L, Johnson, J.E, Ranson, N.A, Lawson, D.M, Lomonossoff, G.P. | | Deposit date: | 2022-07-04 | | Release date: | 2022-12-28 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | Decoding virus maturation with cryo-EM structures of intermediates
To be published
|
|
6D31
 | | Structure of human Usb1 with adenosine 5'-monophosphate | | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Nomura, Y, Montemayor, E.J, Butcher, S.E. | | Deposit date: | 2018-04-14 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural and mechanistic basis for preferential deadenylation of U6 snRNA by Usb1.
Nucleic Acids Res., 46, 2018
|
|
6HVC
 | | NMR structure of Urotensin Peptide Asp-c[Cys-Phe-Trp-(N-Me)Lys-Tyr-Cys]-Val in SDS solution | | Descriptor: | Urotensin-2 | | Authors: | Brancaccio, D, Carotenuto, A, Merlino, F, Billard, E, Yousif, A.M, Di Maro, S, Abate, L, Bellavita, R, D'Emmanuele di Villa Bianca, R, Santicioli, P, Marinelli, L, Novellino, E, Hebert, T.E, Lubell, W.D, Chatenet, D, Grieco, P. | | Deposit date: | 2018-10-10 | | Release date: | 2019-01-16 | | Last modified: | 2019-04-24 | | Method: | SOLUTION NMR | | Cite: | Functional Selectivity Revealed by N-Methylation Scanning of Human Urotensin II and Related Peptides.
J.Med.Chem., 62, 2019
|
|
3HPT
 | | Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine | | Descriptor: | 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | | Authors: | Klei, H.E, Ghosh, K, Rushith, A, Kish, K. | | Deposit date: | 2009-06-04 | | Release date: | 2009-11-17 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
|
|
7QFN
 | | Human Topoisomerase II Beta ATPase ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA topoisomerase 2-beta, MAGNESIUM ION, ... | | Authors: | Ling, E.M, Basle, A, Cowell, I.G, Blower, T.R, Austin, C.A. | | Deposit date: | 2021-12-06 | | Release date: | 2022-05-25 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.621 Å) | | Cite: | A comprehensive structural analysis of the ATPase domain of human DNA topoisomerase II beta bound to AMPPNP, ADP, and the bisdioxopiperazine, ICRF193.
Structure, 30, 2022
|
|
1JP7
 | | Crystal Structure of 5'-deoxy-5'-methylthioadenosine phosphorylase | | Descriptor: | 5'-deoxy-5'-methylthioadenosine phosphorylase, SULFATE ION | | Authors: | Appleby, T.C, Mathews, I.I, Porcelli, M, Cacciapuoti, G, Ealick, S.E. | | Deposit date: | 2001-08-01 | | Release date: | 2001-10-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus.
J.Biol.Chem., 276, 2001
|
|
7QO4
 | | 26S proteasome WT-Ubp6-UbVS complex in the si state (ATPases, Rpn1, Ubp6, and UbVS) | | Descriptor: | 26S proteasome regulatory subunit RPN1, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, C, Joshi, T, Rudack, T, Sakata, E, Finley, D. | | Deposit date: | 2021-12-23 | | Release date: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | Allosteric control of Ubp6 and the proteasome via a bidirectional switch.
Nat Commun, 13, 2022
|
|
7QFO
 | | Human Topoisomerase II Beta ATPase AMPPNP | | Descriptor: | ALANINE, DNA topoisomerase 2-beta, MAGNESIUM ION, ... | | Authors: | Ling, E.M, Basle, A, Cowell, I.G, Blower, T.R, Austin, C.A. | | Deposit date: | 2021-12-06 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A comprehensive structural analysis of the ATPase domain of human DNA topoisomerase II beta bound to AMPPNP, ADP, and the bisdioxopiperazine, ICRF193.
Structure, 30, 2022
|
|
6W8X
 | | Cryo-EM of the S. solfataricus pilus | | Descriptor: | pilin | | Authors: | Wang, F, Baquero, D.P, Su, Z, Beltran, L.C, Prangishvili, D, Krupovic, M, Egelman, E.H. | | Deposit date: | 2020-03-21 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The structures of two archaeal type IV pili illuminate evolutionary relationships.
Nat Commun, 11, 2020
|
|
