6QJ5
 
 | | X-ray structure of PPARgamma LBD with the ligand NV1380 | | Descriptor: | (2~{S})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Pochetti, G, Montanari, R, Capelli, D. | | Deposit date: | 2019-01-22 | | Release date: | 2020-02-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Novel N-Substituted Valine Derivative with Unique Peroxisome Proliferator-Activated Receptor gamma Binding Properties and Biological Activities.
J.Med.Chem., 63, 2020
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6YZ2
 | | Full length Open-form Sodium Channel NavMs F208L | | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | | Authors: | Sula, A, Sait, L.G, Hollingworth, D, Wallace, B.A. | | Deposit date: | 2020-05-06 | | Release date: | 2020-11-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Cannabidiol interactions with voltage-gated sodium channels.
Elife, 9, 2020
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7V4A
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6QBO
 | | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S203A | | Descriptor: | Cell wall assembly regulator SMI1 | | Authors: | Ramos, N, Batista, M, Francois, J.M, Mourey, L, Maveyraud, L, Zerbib, D. | | Deposit date: | 2018-12-21 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S203A
To Be Published
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6FJF
 | | Tubulin-FcMaytansine complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Menchon, G, Prota, A.E, Lucena Angell, D, Bucher, P, Mueller, R, Paterson, I, Diaz, J.F, Altmann, K.-H, Steinmetz, M.O. | | Deposit date: | 2018-01-22 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.402 Å) | | Cite: | A fluorescence anisotropy assay to discover and characterize ligands targeting the maytansine site of tubulin.
Nat Commun, 9, 2018
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1XYR
 | | Poliovirus 135S cell entry intermediate | | Descriptor: | Genome polyprotein, Coat protein VP1, Coat protein VP2, ... | | Authors: | Bubeck, D, Filman, D.J, Cheng, N, Steven, A.C, Hogle, J.M, Belnap, D.M. | | Deposit date: | 2004-11-10 | | Release date: | 2005-08-02 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (11 Å) | | Cite: | The structure of the poliovirus 135S cell entry intermediate at 10-angstrom resolution reveals the location of an externalized polypeptide that binds to membranes.
J.Virol., 79, 2005
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7V4D
 | | Heparin-remodelled alpha-synuclein fibrils | | Descriptor: | Alpha-synuclein | | Authors: | Tao, Y.Q, Sun, Y.P, Xia, W.C, Zhao, Q.Y, Liu, C, Li, D. | | Deposit date: | 2021-08-12 | | Release date: | 2022-08-17 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Heparin-remodelled alpha-synuclein fibrils
To Be Published
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6QLJ
 | | Crystal structure of F181Q UbiX in complex with an oxidised N5-C1' adduct derived from DMAP | | Descriptor: | 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono -D-ribitol, Flavin prenyltransferase UbiX, PHOSPHATE ION, ... | | Authors: | Marshall, S.A, Leys, D. | | Deposit date: | 2019-02-01 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
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6ZKD
 | | Complex I during turnover, open1 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Kampjut, D, Sazanov, L.A. | | Deposit date: | 2020-06-30 | | Release date: | 2020-10-07 | | Last modified: | 2020-11-11 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
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4S0J
 | | Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: 11BIF, 42F, 79S, and 123V mutant | | Descriptor: | Threonine--tRNA ligase | | Authors: | Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G. | | Deposit date: | 2014-12-31 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Transition states. Trapping a transition state in a computationally designed protein bottle.
Science, 347, 2015
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6ZKT
 | | Deactive complex I, open2 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Kampjut, D, Sazanov, L.A. | | Deposit date: | 2020-06-30 | | Release date: | 2020-10-07 | | Last modified: | 2020-11-11 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
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4S1K
 | | Structure of Uranotaenia sapphirina cypovirus (CPV17) polyhedrin at 100 K | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin | | Authors: | Ginn, H.M, Messerschmidt, M, Ji, X, Zhang, H, Axford, D, Gildea, R.J, Winter, G, Brewster, A.S, Hattne, J, Wagner, A, Grimes, J.M, Evans, G, Sauter, N.K, Sutton, G, Stuart, D.I. | | Deposit date: | 2015-01-14 | | Release date: | 2015-03-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of CPV17 polyhedrin determined by the improved analysis of serial femtosecond crystallographic data.
Nat Commun, 6, 2015
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6Q7B
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL09 | | Descriptor: | 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | | Deposit date: | 2018-12-13 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.009 Å) | | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
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7TY7
 | | Cryo-EM structure of human Anion Exchanger 1 bound to Bicarbonate | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, ... | | Authors: | Capper, M.J, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | | Deposit date: | 2022-02-11 | | Release date: | 2023-08-16 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Substrate binding and inhibition of the anion exchanger 1 transporter.
Nat.Struct.Mol.Biol., 30, 2023
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6ZKG
 | | Complex I with NADH, closed | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Kampjut, D, Sazanov, L.A. | | Deposit date: | 2020-06-30 | | Release date: | 2020-10-07 | | Last modified: | 2020-11-11 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
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7TY6
 | | Cryo-EM structure of human Anion Exchanger 1 bound to 4,4'-Diisothiocyanatodihydrostilbene-2,2'-Disulfonic Acid (H2DIDS) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid, ... | | Authors: | Capper, M.J, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | | Deposit date: | 2022-02-11 | | Release date: | 2023-08-16 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Substrate binding and inhibition of the anion exchanger 1 transporter.
Nat.Struct.Mol.Biol., 30, 2023
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1XMY
 | | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With (R)-Rolipram | | Descriptor: | MAGNESIUM ION, ROLIPRAM, ZINC ION, ... | | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | | Deposit date: | 2004-10-04 | | Release date: | 2004-12-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
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6Z8C
 | | Crystal Structure of the Voltage-Gated Sodium Channel NavMs (F208L) in complex with N-desmethyltamoxifen (3.2 A resolution) | | Descriptor: | 2-[4-[(~{Z})-1,2-diphenylbut-1-enyl]phenoxy]-~{N}-methyl-ethanamine, DODECAETHYLENE GLYCOL, HEGA-10, ... | | Authors: | Sula, A, Hollingworth, D, Wallace, B.A. | | Deposit date: | 2020-06-02 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | A tamoxifen receptor within a voltage-gated sodium channel.
Mol.Cell, 81, 2021
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7TY4
 | | Cryo-EM structure of human Anion Exchanger 1 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, ... | | Authors: | Capper, M.J, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | | Deposit date: | 2022-02-11 | | Release date: | 2023-08-16 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Substrate binding and inhibition of the anion exchanger 1 transporter.
Nat.Struct.Mol.Biol., 30, 2023
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6Z8D
 | | Human Picobirnavirus CP VLP | | Descriptor: | Capsid protein precursor | | Authors: | Ortega-Esteban, A, Mata, C.P, Rodriguez-Espinosa, M.J, Luque, D, Irigoyen, N, Rodriguez, J.M, de Pablo, P.J, Caston, J.R. | | Deposit date: | 2020-06-02 | | Release date: | 2020-09-23 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.63 Å) | | Cite: | Cryo-electron Microscopy Structure, Assembly, and Mechanics Show Morphogenesis and Evolution of Human Picobirnavirus.
J.Virol., 94, 2020
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7TYA
 | | Cryo-EM structure of human Anion Exchanger 1 modified with Diethyl Pyrocarbonate (DEPC) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, ... | | Authors: | Capper, M.J, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | | Deposit date: | 2022-02-11 | | Release date: | 2023-08-16 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Substrate binding and inhibition of the anion exchanger 1 transporter.
Nat.Struct.Mol.Biol., 30, 2023
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7TY8
 | | Cryo-EM structure of human Anion Exchanger 1 bound to Niflumic Acid | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID, ... | | Authors: | Capper, M.J, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | | Deposit date: | 2022-02-11 | | Release date: | 2023-08-16 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Substrate binding and inhibition of the anion exchanger 1 transporter.
Nat.Struct.Mol.Biol., 30, 2023
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6QEH
 | | CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR 5-Chloro-quinolin-8-ol | | Descriptor: | 5-chloranylquinolin-8-ol, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Musil, D, Heinrich, T, Lehmann, M. | | Deposit date: | 2019-01-07 | | Release date: | 2019-05-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors.
J.Med.Chem., 62, 2019
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6FWL
 | | Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex alpha-Glc-1,3-(1,2-anhydro-carba-mannose) | | Descriptor: | (1~{S},2~{S},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2018-03-06 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
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6QG4
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