7BKU
| Endothiapepsin structure obtained at 100K with fragment JFD03909 bound | Descriptor: | 1,10-PHENANTHROLINE, DIMETHYL SULFOXIDE, Endothiapepsin | Authors: | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | Deposit date: | 2021-01-17 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Endothiapepsin structure obtained at 100K with fragment JFD03909 bound To Be Published
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5I74
| X-ray structure of the ts3 human serotonin transporter complexed with Br-citalopram at the central site | Descriptor: | (1S)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, ... | Authors: | Coleman, J.A, Green, E.M, Gouaux, E. | Deposit date: | 2016-02-16 | Release date: | 2016-04-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.395 Å) | Cite: | X-ray structures and mechanism of the human serotonin transporter. Nature, 532, 2016
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5I71
| X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site | Descriptor: | (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, ... | Authors: | Coleman, J.A, Green, E.M, Gouaux, E. | Deposit date: | 2016-02-16 | Release date: | 2016-04-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | X-ray structures and mechanism of the human serotonin transporter. Nature, 532, 2016
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5IC6
| Crystal structure of caspase-7 DEVE peptide complex | Descriptor: | Caspase-7 subunit p11, Caspase-7 subunit p20, DEVE peptide | Authors: | Seaman, J.E, Julien, O, Lee, P.S, Rettenmaier, T.J, Thomsen, N.D, Wells, J.A. | Deposit date: | 2016-02-22 | Release date: | 2016-07-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Cacidases: caspases can cleave after aspartate, glutamate and phosphoserine residues. Cell Death Differ., 23, 2016
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7ZR2
| Crystal structure of a chimeric protein mimic of SARS-CoV-2 Spike HR1 in complex with HR2 | Descriptor: | Spike protein S2', Spike protein S2',Chimeric protein mimic of SARS-CoV-2 Spike HR1 | Authors: | Camara-Artigas, A, Gavira, J.A, Cano-Munoz, M, Polo-Megias, D, Conejero-Lara, F. | Deposit date: | 2022-05-03 | Release date: | 2022-11-09 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Novel chimeric proteins mimicking SARS-CoV-2 spike epitopes with broad inhibitory activity. Int.J.Biol.Macromol., 222, 2022
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8A4L
| Lipidic alpha-synuclein fibril - polymorph L2A | Descriptor: | Alpha-synuclein | Authors: | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | Deposit date: | 2022-06-12 | Release date: | 2022-08-17 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | The 3D structure of lipidic fibrils of alpha-synuclein. Nat Commun, 13, 2022
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5I6X
| X-ray structure of the ts3 human serotonin transporter complexed with paroxetine at the central site | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, heavy chain, ... | Authors: | Coleman, J.A, Green, E.M, Gouaux, E. | Deposit date: | 2016-02-16 | Release date: | 2016-04-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | X-ray structures and mechanism of the human serotonin transporter. Nature, 532, 2016
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7T6C
| E. coli dihydroorotate dehydrogenase bound to the ubiquinone surrogate DCIP | Descriptor: | 2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Horwitz, S.M, Ambarian, J.A, Davis, K.M. | Deposit date: | 2021-12-13 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines. Rsc Chem Biol, 3, 2022
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7T5K
| E. coli dihydroorotate dehydrogenase bound to the inhibitor HQNO | Descriptor: | 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ... | Authors: | Horwitz, S.M, Ambarian, J.A, Davis, K.M. | Deposit date: | 2021-12-12 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines. Rsc Chem Biol, 3, 2022
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7T6H
| E. coli dihydroorotate dehydrogenase | Descriptor: | Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, OROTIC ACID | Authors: | Horwitz, S.M, Ambarian, J.A, Davis, K.M. | Deposit date: | 2021-12-13 | Release date: | 2022-03-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines. Rsc Chem Biol, 3, 2022
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7T5Y
| E. coli dihydroorotate dehydrogenase bound to the inhibitor HMNQ | Descriptor: | 3-methyl-2-[(2E)-non-2-en-1-yl]quinolin-4(1H)-one, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ... | Authors: | Horwitz, S.M, Ambarian, J.A, Davis, K.M. | Deposit date: | 2021-12-13 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines. Rsc Chem Biol, 3, 2022
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7BAY
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7BHP
| Cryo-EM structure of the human Ebp1 - 80S ribosome | Descriptor: | 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Desogus, J, Bhaskar, V, Chao, J.A. | Deposit date: | 2021-01-11 | Release date: | 2021-02-03 | Last modified: | 2021-03-31 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Dynamic association of human Ebp1 with the ribosome. Rna, 27, 2021
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7B9B
| Crystal structure of human 5' exonuclease Appollo APO form | Descriptor: | 5' exonuclease Apollo, NICKEL (II) 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: | 2020-12-14 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 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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7E6V
| The crystal structure of foot-and-mouth disease virus(FMDV) 2C protein 97-318aa | Descriptor: | ACETATE ION, Protein 2C | Authors: | Zhang, C, Wojdyla, J.A, Qin, B, Wang, M, Gao, X, Cui, S. | Deposit date: | 2021-02-24 | Release date: | 2022-06-29 | Last modified: | 2022-07-20 | Method: | X-RAY DIFFRACTION (1.832 Å) | Cite: | An anti-picornaviral strategy based on the crystal structure of foot-and-mouth disease virus 2C protein. Cell Rep, 40, 2022
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3CRV
| XPD_Helicase | Descriptor: | CITRATE ANION, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Fan, L, Arvai, A.S, Tainer, J.A. | Deposit date: | 2008-04-07 | Release date: | 2008-06-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | XPD helicase structures and activities: insights into the cancer and aging phenotypes from XPD mutations. Cell(Cambridge,Mass.), 133, 2008
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3CTW
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3D4M
| Glutaredoxin 2 oxidized structure | Descriptor: | Glutaredoxin-2, mitochondrial | Authors: | Discola, K.F, de Oliveira, M.A, Barcena, J.A, Porras, P, Guimaraes, B.G, Netto, L.E.S. | Deposit date: | 2008-05-14 | Release date: | 2008-10-28 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural aspects of the distinct biochemical properties of glutaredoxin 1 and glutaredoxin 2 from Saccharomyces cerevisiae. J.Mol.Biol., 385, 2009
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3CKE
| Crystal structure of aristolochene synthase in complex with 12,13-difluorofarnesyl diphosphate | Descriptor: | (2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, BETA-MERCAPTOETHANOL, ... | Authors: | Shishova, E.Y, Yu, F, Miller, D.J, Faraldos, J.A, Zhao, Y, Coates, R.M, Allemann, R.K, Cane, D.E, Christianson, D.W. | Deposit date: | 2008-03-14 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest a Metal Ion Binding Sequence for Catalysis. J.Biol.Chem., 283, 2008
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3CMH
| SYNTHETIC LINEAR TRUNCATED ENDOTHELIN-1 AGONIST | Descriptor: | PROTEIN (ENDOTHELIN-1) | Authors: | Hewage, C.M, Jiang, L, Parkinson, J.A, Ramage, R, Sadler, I.H. | Deposit date: | 1998-09-03 | Release date: | 1999-09-29 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of a novel ETB receptor selective agonist ET1-21 [Cys(Acm)1,15, Aib3,11, Leu7] by nuclear magnetic resonance spectroscopy and molecular modelling. J.Pept.Res., 53, 1999
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3CQP
| Human SOD1 G85R Variant, Structure I | Descriptor: | COPPER (II) ION, MALONATE ION, Superoxide dismutase [Cu-Zn], ... | Authors: | Cao, X, Antonyuk, S, Seetharaman, S.V, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Valentine, J.S, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Hasnain, S.S, Hart, P.J. | Deposit date: | 2008-04-03 | Release date: | 2008-04-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structures of the G85R Variant of SOD1 in Familial Amyotrophic Lateral Sclerosis. J.Biol.Chem., 283, 2008
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3CTL
| Crystal structure of D-Allulose 6-Phosphate 3-Epimerase from Escherichia coli K12 complexed with D-glucitol 6-phosphate and magnesium | Descriptor: | D-SORBITOL-6-PHOSPHATE, D-allulose-6-phosphate 3-epimerase, MAGNESIUM ION | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | Deposit date: | 2008-04-14 | Release date: | 2009-02-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for substrate specificity in phosphate binding (beta/alpha)8-barrels: D-allulose 6-phosphate 3-epimerase from Escherichia coli K-12. Biochemistry, 47, 2008
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3D0O
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3D4P
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3CXC
| The structure of an enhanced oxazolidinone inhibitor bound to the 50S ribosomal subunit of H. marismortui | Descriptor: | (3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propanamide, 23S RIBOSOMAL RNA, 5'-R(*CP*CP*A)-3', ... | Authors: | Ippolito, J.A, Wang, D, Kanyo, Z.F, Duffy, E.M. | Deposit date: | 2008-04-24 | Release date: | 2009-04-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Design at the atomic level: design of biaryloxazolidinones as potent orally active antibiotics. Bioorg.Med.Chem.Lett., 18, 2008
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