7PD5
 
 | | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 in complex with 4-aminobenzoic acid | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-AMINOBENZOIC ACID, CHLORIDE ION, ... | | Authors: | Silva, A, Nunes-Costa, D, Barbosa Pereira, P.J, Macedo-Ribeiro, S. | | Deposit date: | 2021-08-04 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 in complex with 4-aminobenzoic acid
To Be Published
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8EEU
 | | Venezuelan equine encephalitis virus-like particle in complex with Fab SKT05 | | Descriptor: | Coat protein, Fab SKT05 heavy chain, Fab SKT05 light chain | | Authors: | Tsybovsky, Y, Pletnev, S, Verardi, R, Roederer, M, Kwong, P.D. | | Deposit date: | 2022-09-07 | | Release date: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Vaccine elicitation and structural basis for antibody protection against alphaviruses.
Cell, 186, 2023
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6UCE
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6TXX
 | | CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH SAFit2 | | Descriptor: | (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Fiegen, D, Draxler, S.W. | | Deposit date: | 2020-01-14 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
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8T7Q
 | | Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors | | Descriptor: | 1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Tang, Y, Nguyen, V, Wilbur, J.D. | | Deposit date: | 2023-06-21 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
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8ONE
 | | Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Asp190Ser mutant - Cocrystal with Fe2+, Mn2+, UDP-Glucose | | Descriptor: | 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Mattoteia, D, De Marco, M, Pinnola, A, Faravelli, S, Scietti, L, Forneris, F. | | Deposit date: | 2023-04-02 | | Release date: | 2023-07-19 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of Regulatory Molecular "Hot Spots" for LH/PLOD Collagen Glycosyltransferase Activity.
Int J Mol Sci, 24, 2023
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5EVM
 | | Crystal Structure of Nipah Virus Fusion Glycoprotein in the Prefusion State | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, MALONATE ION, ... | | Authors: | Xu, K, Nikolov, D.B. | | Deposit date: | 2015-11-20 | | Release date: | 2015-12-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.367 Å) | | Cite: | Crystal Structure of the Pre-fusion Nipah Virus Fusion Glycoprotein Reveals a Novel Hexamer-of-Trimers Assembly.
Plos Pathog., 11, 2015
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8T6D
 | | Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors | | Descriptor: | (3R)-1'-[3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3H-spiro[[1]benzofuran-2,4'-piperidin]-3-amine, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Tang, Y, Nguyen, V, Wilbur, J.D. | | Deposit date: | 2023-06-15 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
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6X6L
 | | Cryo-EM Structure of CagX and CagY within the dCag3 Helicobacter pylori PR | | Descriptor: | Cag pathogenicity island protein (Cag7), Cag pathogenicity island protein (Cag8) | | Authors: | Sheedlo, M.J, Chung, J.M, Sawhney, N, Durie, C.L, Cover, T.L, Ohi, M.D, Lacy, D.B. | | Deposit date: | 2020-05-28 | | Release date: | 2020-09-30 | | Last modified: | 2021-04-14 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM reveals species-specific components within the Helicobacter pylori Cag type IV secretion system core complex.
Elife, 9, 2020
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8T6G
 | | Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors | | Descriptor: | (1S)-1-{6-[(1S)-1-amino-1,3-dihydrospiro[indene-2,4'-piperidin]-1'-yl]-3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl}ethan-1-ol, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Tang, Y, Nugyen, V, Wilbur, J.D. | | Deposit date: | 2023-06-15 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
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6U3Y
 | | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | | Descriptor: | ACETATE ION, Gamma-hemolysin subunit A, Panton-Valentine Leucocidin F, ... | | Authors: | Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. | | Deposit date: | 2019-08-22 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence.
J.Biol.Chem., 295, 2020
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6X64
 | | Legionella pneumophila Dot T4SS PR | | Descriptor: | Type IV secretion system unknown protein fragment | | Authors: | Durie, C.L, Sheedlo, M.J, Chung, J.M, Byrne, B.G, Su, M, Knight, T, Swanson, M.S, Lacy, D.B, Ohi, M.D. | | Deposit date: | 2020-05-27 | | Release date: | 2020-10-07 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural analysis of the Legionella pneumophila Dot/Icm type IV secretion system core complex.
Elife, 9, 2020
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7NHP
 | | Structure of PSII-I (PSII with Psb27, Psb28, and Psb34) | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ... | | Authors: | Zabret, J, Bohn, S, Schuller, S.K, Arnolds, O, Chan, A, Tajkhorshid, E, Stoll, R, Engel, B.D, Rudack, T, Schuller, J.M, Nowaczyk, M.M. | | Deposit date: | 2021-02-11 | | Release date: | 2021-05-05 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.72 Å) | | Cite: | Structural insights into photosystem II assembly.
Nat.Plants, 7, 2021
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7SKK
 | | pertussis toxin in complex with ADPR and Nicotinamide | | Descriptor: | NICOTINAMIDE, Pertussis toxin subunit 1, SULFATE ION, ... | | Authors: | Littler, D.R, Beddoe, T, Pulliainen, A, Rossjohn, J. | | Deposit date: | 2021-10-21 | | Release date: | 2022-04-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65000772 Å) | | Cite: | Crystal structures of pertussis toxin with NAD + and analogs provide structural insights into the mechanism of its cytosolic ADP-ribosylation activity.
J.Biol.Chem., 298, 2022
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8K3U
 | | S. cerevisiae Chs1 in complex with UDP and GlcNAc | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitin synthase 1, ... | | Authors: | Bai, L, Chen, D. | | Deposit date: | 2023-07-17 | | Release date: | 2023-09-06 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
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4XII
 | | X-ray structure of human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Knez, D, Boris, B, Coquelle, N, Sosic, I, Sink, R, Brazzolotto, X, Mravljak, J, Colletier, J.P, Gobec, S. | | Deposit date: | 2015-01-07 | | Release date: | 2015-07-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-based development of nitroxoline derivatives as potential multifunctional anti-Alzheimer agents.
Bioorg.Med.Chem., 23, 2015
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7PJB
 | | Crystal structure of YTHDC1 with compound PSI_DC1_004 | | Descriptor: | (R)-homoproline, GLYCEROL, SULFATE ION, ... | | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | | Deposit date: | 2021-08-23 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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5M2X
 | | Crystal structure of the full-length Zika virus NS5 protein (Human isolate Z1106033) | | Descriptor: | NS5, PHOSPHATE ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Ferrero, D.S, Ruiz-Arroyo, V.M, Soler, N, Uson, I, Verdaguer, N. | | Deposit date: | 2016-10-13 | | Release date: | 2018-06-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (4.991 Å) | | Cite: | Supramolecular arrangement of the full-length Zika virus NS5.
Plos Pathog., 15, 2019
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6R6V
 | | Structure of recombinant human butyrylcholinesterase in complex with a fluorescent coumarin-based probe | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, ... | | Authors: | Brazzolotto, X, Nachon, F, Knez, D, Gobec, S. | | Deposit date: | 2019-03-28 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Development of potent reversible selective inhibitors of butyrylcholinesterase as fluorescent probes.
J Enzyme Inhib Med Chem, 35, 2020
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6MDR
 | | Cryo-EM structure of the Ceru+32/GFP-17 protomer | | Descriptor: | Ceru+32, GFP-17 | | Authors: | Simon, A.J, Zhou, Y, Ramasubramani, V, Glaser, J, Pothukuchy, A, Golihar, J, Gerberich, J.C, Leggere, J.C, Morrow, B.R, Jung, C, Glotzer, S.C, Taylor, D.W, Ellington, A.D. | | Deposit date: | 2018-09-05 | | Release date: | 2019-01-23 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Supercharging enables organized assembly of synthetic biomolecules.
Nat Chem, 11, 2019
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7PJ8
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6XF7
 | | SLP | | Descriptor: | Lambda 1 protein | | Authors: | Sutton, G, Sun, D.P, Fu, X.F, Kotecha, A, Hecksel, G.W, Clare, D.K, Zhang, P, Stuart, D, Boyce, M. | | Deposit date: | 2020-06-15 | | Release date: | 2020-09-23 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Assembly intermediates of orthoreovirus captured in the cell.
Nat Commun, 11, 2020
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4XIA
 | | STRUCTURES OF D-XYLOSE ISOMERASE FROM ARTHROBACTER STRAIN B3728 CONTAINING THE INHIBITORS XYLITOL AND D-SORBITOL AT 2.5 ANGSTROMS AND 2.3 ANGSTROMS RESOLUTION, RESPECTIVELY | | Descriptor: | D-XYLOSE ISOMERASE, MAGNESIUM ION, sorbitol | | Authors: | Henrick, K, Collyer, C.A, Blow, D.M. | | Deposit date: | 1989-07-05 | | Release date: | 1990-04-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of D-xylose isomerase from Arthrobacter strain B3728 containing the inhibitors xylitol and D-sorbitol at 2.5 A and 2.3 A resolution, respectively.
J.Mol.Biol., 208, 1989
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7PJP
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5LD5
 | | Crystal structure of a bacterial dehydrogenase at 2.19 Angstroms resolution | | Descriptor: | GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Querol-Garcia, J, Fernandez, F.J, Gomez, S, Fulla, D, Juanhuix, J, Vega, M.C. | | Deposit date: | 2016-06-23 | | Release date: | 2017-07-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1906 Å) | | Cite: | Crystal Structure of Glyceraldehyde-3-Phosphate Dehydrogenase from the Gram-Positive Bacterial Pathogen A. vaginae, an Immunoevasive Factor that Interacts with the Human C5a Anaphylatoxin.
Front Microbiol, 8, 2017
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