5M8B
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6ZIS
| Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide, TETRAETHYLENE GLYCOL, ... | Authors: | Southall, S.M. | Deposit date: | 2020-06-26 | Release date: | 2020-07-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine. J.Med.Chem., 63, 2020
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5MA2
| PCE reductive dehalogenase from S. multivorans in complex with 4-iodophenol | Descriptor: | 4-IODOPHENOL, BENZAMIDINE, GLYCEROL, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-11-03 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.879 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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8AU8
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6B9F
| Human ATL1 mutant - F151S bound to GDPAlF4- | Descriptor: | Atlastin-1, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | O'Donnell, J.P, Sondermann, H. | Deposit date: | 2017-10-10 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A hereditary spastic paraplegia-associated atlastin variant exhibits defective allosteric coupling in the catalytic core. J. Biol. Chem., 293, 2018
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8PWY
| Dye-decolourising peroxidase DtpB (112 kGy) | Descriptor: | MAGNESIUM ION, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lucic, M, Worrall, J.A.R, Hough, M.A, Owen, R.L, Strange, R.W. | Deposit date: | 2023-07-21 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Dye-decolourising peroxidase DtpB (56 kGy) To Be Published
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5JMR
| X-ray structure of the furin inhibitory antibody Nb14 | Descriptor: | CHLORIDE ION, camelid VHH fragment | Authors: | Dahms, S.O, Than, M.E. | Deposit date: | 2016-04-29 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | The structure of a furin-antibody complex explains non-competitive inhibition by steric exclusion of substrate conformers. Sci Rep, 6, 2016
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6BD2
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6ZHO
| Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Southall, S.M. | Deposit date: | 2020-06-23 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine. J.Med.Chem., 63, 2020
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7TFS
| Cryo-EM of the OmcE nanowires from Geobacter sulfurreducens | Descriptor: | Cytochrome c, HEME C | Authors: | Wang, F, Mustafa, K, Chan, C.H, Joshi, K, Hochbaum, A.I, Bond, D.R, Egelman, E.H. | Deposit date: | 2022-01-07 | Release date: | 2022-05-04 | Last modified: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Cryo-EM structure of an extracellular Geobacter OmcE cytochrome filament reveals tetrahaem packing. Nat Microbiol, 7, 2022
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6ZJ7
| Trehalose transferase (TreT) from Thermoproteus uzoniensis soaked with Mg | Descriptor: | GLYCEROL, TETRAETHYLENE GLYCOL, THIOCYANATE ION, ... | 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: | 2020-06-28 | Release date: | 2020-09-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars. Acs Catalysis, 10, 2020
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3EW5
| Structure of the tetragonal crystal form of X (ADRP) domain from FCoV | Descriptor: | CHLORIDE ION, SN-GLYCEROL-1-PHOSPHATE, SULFATE ION, ... | Authors: | Wojdyla, J.A, Manolaridis, I, Tucker, P.A. | Deposit date: | 2008-10-14 | Release date: | 2009-10-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of the X (ADRP) domain of nsp3 from feline coronavirus Acta Crystallogr.,Sect.D, 65, 2009
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6ZLH
| the structure of glutamate transporter homologue GltTk in complex with the photo switchable compound (trans) | Descriptor: | (2~{S},3~{S})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid, DECYL-BETA-D-MALTOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Arkhipova, V, Slotboom, D.J, Guskov, A. | Deposit date: | 2020-06-30 | Release date: | 2021-01-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Aspects of Photopharmacology: Insight into the Binding of Photoswitchable and Photocaged Inhibitors to the Glutamate Transporter Homologue. J.Am.Chem.Soc., 143, 2021
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5J8N
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8QAG
| X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 6 inner helices, sc-CC-6-95 | Descriptor: | DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, sc-CC-6-95 | Authors: | Petrenas, R, Albanese, K.I, Woolfson, D.N. | Deposit date: | 2023-08-22 | Release date: | 2024-07-03 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Rationally seeded computational protein design of ɑ-helical barrels. Nat.Chem.Biol., 20, 2024
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6RTJ
| Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 1 hour of soaking | Descriptor: | 1-[(dimethylamino)methyl]naphthalen-2-ol, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Angelucci, F, Silvestri, I, Fata, F, Williams, D.L. | Deposit date: | 2019-05-24 | Release date: | 2020-01-08 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ectopic suicide inhibition of thioredoxin glutathione reductase. Free Radic Biol Med, 147, 2020
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5M90
| PCE reductive dehalogenase from S. multivorans in complex with 3,4,5-trifluorophenol | Descriptor: | 3,4,5-tris(fluoranyl)phenol, BENZAMIDINE, GLYCEROL, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-10-31 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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6RMA
| Crystal structure of the DEAH-box ATPase Prp2 in complex with Spp2 and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Hamann, F, Neumann, P, Ficner, R. | Deposit date: | 2019-05-06 | Release date: | 2020-02-05 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural analysis of the intrinsically disordered splicing factor Spp2 and its binding to the DEAH-box ATPase Prp2. Proc.Natl.Acad.Sci.USA, 117, 2020
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5MA0
| PCE reductive dehalogenase from S. multivorans in complex with 2,6-dichlorophenol | Descriptor: | 2,6-dichlorophenol, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-11-02 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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5J56
| RTA-V1C7 | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | Authors: | Rudolph, M.J. | Deposit date: | 2016-04-01 | Release date: | 2016-12-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Analysis of Single Domain Antibodies Bound to a Second Neutralizing Hot Spot on Ricin Toxin's Enzymatic Subunit. J. Biol. Chem., 292, 2017
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6L0A
| Crystal structure of dihydroorotase in complex with malate at pH7 from Saccharomyces cerevisiae | Descriptor: | (2S)-2-hydroxybutanedioic acid, Dihydroorotase, ZINC ION | Authors: | Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J. | Deposit date: | 2019-09-26 | Release date: | 2020-12-02 | Last modified: | 2021-12-15 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural Analysis of Saccharomyces cerevisiae Dihydroorotase Reveals Molecular Insights into the Tetramerization Mechanism Molecules, 2021
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7X81
| The crystal structure of PloI4-C16M/D46A/I137V in complex with exo-2+2 adduct | Descriptor: | (4S,4aS,6aR,8R,9R,11E,12aR,14aS,17E,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-11,12a,13,18a-tetramethyl-2,3,4,4a,6a,7,8,9,10,12a,13,14,18a,18b-tetradecahydro-14a,17-(metheno)cyclobuta[b]naphtho[2,1-j][1]azacyclotetradecine-16,18(1H,15H)-dione, PloI4 | Authors: | Li, M, Pan, L.F. | Deposit date: | 2022-03-10 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | A cyclase that catalyses competing 2 + 2 and 4 + 2 cycloadditions. Nat.Chem., 15, 2023
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6I7J
| Crystal structure of monomeric FICD mutant L258D | Descriptor: | Adenosine monophosphate-protein transferase FICD, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | Authors: | Perera, L.A, Yan, Y, Read, R.J, Ron, D. | Deposit date: | 2018-11-16 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP. Embo J., 38, 2019
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5MN2
| Cocrystal structure of Fc gamma receptor IIIa interacting with Affimer G3, a specific binding protein which blocks IgG binding to the receptor. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Affimer G3, DI(HYDROXYETHYL)ETHER, ... | Authors: | Robinson, J.I, Owen, R.L, Tomlinson, D.C, Baxter, E.W, Nettleship, J.E, Waterhouse, M.P, Harris, S.A, Owens, R.J, McPherson, M.J, Morgan, A.W, Tiede, C, Goldman, A, Thomsen, M. | Deposit date: | 2016-12-12 | Release date: | 2017-12-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Affimer proteins inhibit immune complex binding to Fc gamma RIIIa with high specificity through competitive and allosteric modes of action. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5MND
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