7YK2
 
 | | Cryo-EM structure of Apo-alpha-syn fibril | | Descriptor: | Alpha-synuclein | | Authors: | Xu, Q.H, Xia, W.C, Tao, Y.Q, Liu, C. | | Deposit date: | 2022-07-21 | | Release date: | 2023-03-22 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Conformational Dynamics of an alpha-Synuclein Fibril upon Receptor Binding Revealed by Insensitive Nuclei Enhanced by Polarization Transfer-Based Solid-State Nuclear Magnetic Resonance and Cryo-Electron Microscopy.
J.Am.Chem.Soc., 145, 2023
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7YK8
 | | Cryo-EM structure of dLAG3-alpha-syn fibril | | Descriptor: | Alpha-synuclein | | Authors: | Xu, Q.H, Xia, W.C, Tao, Y.Q, Liu, C. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-22 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Conformational Dynamics of an alpha-Synuclein Fibril upon Receptor Binding Revealed by Insensitive Nuclei Enhanced by Polarization Transfer-Based Solid-State Nuclear Magnetic Resonance and Cryo-Electron Microscopy.
J.Am.Chem.Soc., 145, 2023
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6KC0
 | | fused To-MtbCsm1 with 2ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A),CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), MAGNESIUM ION | | Authors: | Li, T, Huo, Y, Jiang, T. | | Deposit date: | 2019-06-26 | | Release date: | 2020-07-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.295 Å) | | Cite: | Mycobacterium tuberculosis CRISPR/Cas system Csm1 holds clues to the evolutionary relationship between DNA polymerase and cyclase activity.
Int.J.Biol.Macromol., 170, 2020
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6KUE
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7DPI
 | | Plasmodium falciparum cytoplasmic Phenylalanyl-tRNA synthetase in complex with BRD7929 | | Descriptor: | (8R,9S,10S)-10-[(dimethylamino)methyl]-N-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide, MAGNESIUM ION, Phenylalanine--tRNA ligase, ... | | Authors: | Manmohan, S, Malhotra, N, Harlos, K, Manickam, Y, Sharma, A. | | Deposit date: | 2020-12-19 | | Release date: | 2022-03-23 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.597 Å) | | Cite: | Inhibition of Plasmodium falciparum phenylalanine tRNA synthetase provides opportunity for antimalarial drug development.
Structure, 30, 2022
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2F3F
 | | Crystal Structure of the Bace complex with BDF488, a macrocyclic inhibitor | | Descriptor: | (2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE, Beta-secretase 1 | | Authors: | Rondeau, J.-M. | | Deposit date: | 2005-11-21 | | Release date: | 2006-09-05 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE).
J.Med.Chem., 49, 2006
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2F3E
 | | Crystal Structure of the Bace complex with AXQ093, a macrocyclic inhibitor | | Descriptor: | Beta-secretase 1, {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER | | Authors: | Rondeau, J.-M. | | Deposit date: | 2005-11-21 | | Release date: | 2006-09-05 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE).
J.Med.Chem., 49, 2006
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7X28
 | | MERS-CoV spike complex with S41 neutralizing antibody Fab Class3 (2u1d RBD with 2Fab) | | Descriptor: | Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain | | Authors: | Zeng, J.W, Zhang, S.Y, Zhou, H.X, Wang, X.W. | | Deposit date: | 2022-02-25 | | Release date: | 2023-01-18 | | Last modified: | 2023-01-25 | | Method: | ELECTRON MICROSCOPY (2.49 Å) | | Cite: | Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein.
Front Microbiol, 13, 2022
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2GDE
 | | Thrombin in complex with inhibitor | | Descriptor: | (R)-3-((2S,3R)-1-((2S,3AR,5S,6S,7AS)-2-(2-(1-CARBAMIMIDOYL-2,5-DIHYDRO-1H-PYRROL-3-YL)ETHYLCARBAMOYL)-5,6-DIHYDROXYOCTAHYDRO-1H-INDOL-1-YL)-3-CHLORO-4-METHYL-1-OXOPENTAN-2-YLAMINO)-2-METHOXY-3-OXOPROPYL HYDROGEN SULFATE, Hirudin, SODIUM ION, ... | | Authors: | Xue, Y. | | Deposit date: | 2006-03-16 | | Release date: | 2007-03-20 | | Last modified: | 2013-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Total synthesis and structural confirmation of chlorodysinosin A.
J.Am.Chem.Soc., 128, 2006
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7X2A
 | | MERS-CoV spike complex with S41 neutralizing antibody Fab Class1 (1u2d RBD with 1Fab) | | Descriptor: | MERS-CoV Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain | | Authors: | Zeng, J.W, Zhang, S.Y, Zhou, H.X, Wang, X.W. | | Deposit date: | 2022-02-25 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (2.49 Å) | | Cite: | Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein.
Front Microbiol, 13, 2022
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7X26
 | | S41 neutralizing antibody Fab(MERS-CoV) | | Descriptor: | Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain | | Authors: | Zeng, J.W, Zhang, S.Y, Wang, X.W. | | Deposit date: | 2022-02-25 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.685 Å) | | Cite: | Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein.
Front Microbiol, 13, 2022
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7X29
 | | MERS-CoV spike complex with S41 neutralizing antibody Fab Class2 (1u2d RBD with 2Fab) | | Descriptor: | Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain | | Authors: | Zeng, J.W, Zhang, S.Y, Zhou, H.X, Wang, X.W. | | Deposit date: | 2022-02-25 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (2.49 Å) | | Cite: | Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein.
Front Microbiol, 13, 2022
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2HVJ
 | | Crystal structure of KcsA-Fab-TBA complex in low K+ | | Descriptor: | (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE, NONAN-1-OL, POTASSIUM ION, ... | | Authors: | Zhou, Y. | | Deposit date: | 2006-07-28 | | Release date: | 2007-02-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystallographic Study of the Tetrabutylammonium Block to the KcsA K(+) Channel.
J.Mol.Biol., 366, 2007
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2HVK
 | | crystal structure of the KcsA-Fab-TBA complex in high K+ | | Descriptor: | (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE, Antibody Fab heavy chain, Antibody Fab light chain, ... | | Authors: | Zhou, Y. | | Deposit date: | 2006-07-28 | | Release date: | 2007-02-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic Study of the Tetrabutylammonium Block to the KcsA K(+) Channel.
J.Mol.Biol., 366, 2007
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4LRG
 | | Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide | | Descriptor: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide, Bromodomain-containing protein 4 | | Authors: | Ravichandran, S, Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | | Deposit date: | 2013-07-19 | | Release date: | 2013-08-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
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2JRK
 | | NMR Structure and Epitope Mapping of Blo t 5 | | Descriptor: | Mite allergen Blo t 5 | | Authors: | Chan, S, Mok, Y. | | Deposit date: | 2007-06-27 | | Release date: | 2008-07-01 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Nuclear magnetic resonance structure and IgE epitopes of Blo t 5, a major dust mite allergen
J.Immunol., 181, 2008
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2XL1
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2BDY
 | | thrombin in complex with inhibitor | | Descriptor: | Hirudin IIIB', N-(4-CARBAMIMIDOYL-BENZYL)-2-[2-HYDROXY-6-METHYL-3-(NAPHTHALENE-1-SULFONYLAMINO)-PHENYL]-ACETAMIDE, SODIUM ION, ... | | Authors: | Xue, Y. | | Deposit date: | 2005-10-21 | | Release date: | 2006-10-24 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Phenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure.
Bioorg.Med.Chem.Lett., 16, 2006
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5XDM
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7Z2K
 | | Crystal structure of SARS-CoV-2 Main Protease in orthorhombic space group p212121 | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | | Deposit date: | 2022-02-28 | | Release date: | 2023-03-22 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds.
Nat Commun, 15, 2024
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4UQH
 | | Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide. | | Descriptor: | (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE, ... | | Authors: | Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M. | | Deposit date: | 2014-06-23 | | Release date: | 2014-08-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | 4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
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6OAZ
 | | Apo Structure of WT Lipoprotein Lipase in Complex with GPIHBP1 Mutant N78D N82D produced in HEK293-F cells | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Arora, R, Horton, P.A, Benson, T.E, Romanowski, M.J. | | Deposit date: | 2019-03-19 | | Release date: | 2019-05-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | Structure of lipoprotein lipase in complex with GPIHBP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
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4V67
 | | Crystal structure of a translation termination complex formed with release factor RF2. | | Descriptor: | 16S RRNA, 23S RRNA, 30S ribosomal protein S10, ... | | Authors: | Korostelev, A, Asahara, H, Lancaster, L, Laurberg, M, Hirschi, A, Noller, H.F. | | Deposit date: | 2008-10-27 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of a translation termination complex formed with release factor RF2.
Proc.Natl.Acad.Sci.USA, 105, 2008
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4V3Q
 | | Designed armadillo repeat protein with 4 internal repeats, 2nd generation C-cap and 3rd generation N-cap. | | Descriptor: | CALCIUM ION, GLYCEROL, YIII_M4_AII | | Authors: | Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P. | | Deposit date: | 2014-10-20 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of designed armadillo-repeat proteins show propagation of inter-repeat interface effects.
Acta Crystallogr D Struct Biol, 72, 2016
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3J8B
 | | Model of the human eIF3 PCI-MPN octamer docked into the 43S-HCV IRES EM map | | Descriptor: | Eukaryotic translation initiation factor 3 subunit A, Eukaryotic translation initiation factor 3 subunit C, Eukaryotic translation initiation factor 3 subunit E, ... | | Authors: | Erzberger, J.P, Ban, N. | | Deposit date: | 2014-10-08 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (9.3 Å) | | Cite: | Molecular Architecture of the 40SeIF1eIF3 Translation Initiation Complex.
Cell(Cambridge,Mass.), 158, 2014
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