5X69
 
 | | Human thymidylate synthase with a fragment bound in the dimer interface | | Descriptor: | 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | | Deposit date: | 2017-02-21 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
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6GLE
 | | Crystal structure of hMTH1 in complex with TH scaffold 1 in the presence of acetate | | Descriptor: | 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | | Deposit date: | 2018-05-23 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.402 Å) | | Cite: | hMTH1 in complex with TH scaffold 1
To Be Published
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7XJ8
 | | SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab and 58G6 Fab in the class 2 conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 55A8 heavy chain, ... | | Authors: | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | | Deposit date: | 2022-04-15 | | Release date: | 2023-04-19 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab and 58G6 Fab in the class 2 conformation
To Be Published
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8VTX
 | | Crystal structure of the A2058-N6-dimethylated Thermus thermophilus 70S ribosome in complex with macrolone MCX-128, mRNA, aminoacylated A-site Phe-tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.40A resolution | | Descriptor: | 1-cyclopropyl-7-(4-{4-[({[(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-14-(methoxyimino)-3a,7,9,11,13,15-hexamethyl-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl]oxy}carbonyl)amino]butyl}piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Aleksandrova, E.V, Ma, C.-X, Klepacki, D, Alizadeh, F, Vazquez-Laslop, N, Liang, J.-H, Polikanov, Y.S, Mankin, A.S. | | Deposit date: | 2024-01-27 | | Release date: | 2024-08-07 | | Last modified: | 2025-03-19 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Macrolones target bacterial ribosomes and DNA gyrase and can evade resistance mechanisms.
Nat.Chem.Biol., 20, 2024
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5V0T
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8VMG
 | | Crystal structure of GSK-3 26-383 bound to Axin 383-435 | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Enos, M.D, Gavagan, M, Jameson, N, Zalatan, J.G, Weis, W.I. | | Deposit date: | 2024-01-13 | | Release date: | 2024-08-28 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural and functional effects of phosphopriming and scaffolding in the kinase GSK-3 beta.
Sci.Signal., 17, 2024
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9NJF
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9E8M
 | | Covalent inhibitor VVD-442 bound to the RAS binding domain (RBD) of PI3Ka | | Descriptor: | 1-[(1P)-5-bromo-2'-chloro[1,1'-biphenyl]-2-sulfonyl]-4-fluoro-N-[(2S)-4-(methanesulfonyl)butan-2-yl]piperidine-4-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Bernard, S.M, Tamiya, J. | | Deposit date: | 2024-11-05 | | Release date: | 2025-01-01 | | Last modified: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (2.827 Å) | | Cite: | Covalent inhibitors of the RAS binding domain of PI3K alpha impair tumor growth driven by RAS and HER2.
Biorxiv, 2024
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5A2L
 | | Crystal structure of scFv-SM3 in complex with APD-CGalNAc-RP | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, MODIFIED ANTIGEN TN, ... | | Authors: | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | | Deposit date: | 2015-05-20 | | Release date: | 2015-06-03 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody.
Angew.Chem.Int.Ed.Engl., 54, 2015
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2SIC
 | | REFINED CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' AND STREPTOMYCES SUBTILISIN INHIBITOR AT 1.8 ANGSTROMS RESOLUTION | | Descriptor: | CALCIUM ION, STREPTOMYCES SUBTILISIN INHIBITOR (SSI), SUBTILISIN BPN' | | Authors: | Mitsui, Y, Takeuchi, Y, Hirono, S, Akagawa, H, Nakamura, K.T. | | Deposit date: | 1991-04-01 | | Release date: | 1993-04-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Refined crystal structure of the complex of subtilisin BPN' and Streptomyces subtilisin inhibitor at 1.8 A resolution.
J.Mol.Biol., 221, 1991
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9NTE
 | | Helix pomatia AMP deaminase (HPAMPD) apoenzyme | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kaur, G, Horton, J.R, Cheng, X. | | Deposit date: | 2025-03-18 | | Release date: | 2025-06-18 | | Last modified: | 2025-07-23 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for the substrate specificity of Helix pomatia AMP deaminase and a chimeric ADGF adenosine deaminase.
J.Biol.Chem., 301, 2025
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7XMP
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9NTF
 | | Helix pomatia AMP deaminase (HPAMPD) with unknown density in the active site | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kaur, G, Horton, J.R, Cheng, X. | | Deposit date: | 2025-03-18 | | Release date: | 2025-06-18 | | Last modified: | 2025-07-23 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural basis for the substrate specificity of Helix pomatia AMP deaminase and a chimeric ADGF adenosine deaminase.
J.Biol.Chem., 301, 2025
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6HLZ
 | | Structure in C2 form of the PBP AgtB from A.tumefacien R10 in complex with agropinic acid | | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Agropine permease, ... | | Authors: | Morera, S, Marty, L, Vigouroux, A. | | Deposit date: | 2018-09-11 | | Release date: | 2018-12-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structural basis for two efficient modes of agropinic acid opine import into the bacterial pathogenAgrobacterium tumefaciens.
Biochem. J., 476, 2019
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6HBY
 | | HLA class II peptide flanking residues tune the immunogenicity of a human tumor-derived epitope | | Descriptor: | 1,2-ETHANEDIOL, ARRPPLAELAALNLSGSRL 5T4 tumour epitope, HLA class II histocompatibility antigen, ... | | Authors: | MacLachlan, B, Rizkallah, P.J, Sewell, A.K, Cole, D.K, Godkin, A.J. | | Deposit date: | 2018-08-13 | | Release date: | 2019-08-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Human leukocyte antigen (HLA) class II peptide flanking residues tune the immunogenicity of a human tumor-derived epitope.
J.Biol.Chem., 294, 2019
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7SUC
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8OR1
 | | Co-crystal strucutre of PD-L1 with low molecular weight inhibitor | | Descriptor: | 5-[[5-[[2-chloranyl-3-(2-fluorophenyl)phenyl]methoxy]-2-[(~{E})-2-hydroxyethyliminomethyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1 | | Authors: | Zhang, H, Zhou, S, Wu, C, Zhu, M, Yu, Q, Wang, X, Awadasseid, A, Plewka, J, Magiera-Mularz, K, Wu, Y, Zhang, W. | | Deposit date: | 2023-04-12 | | Release date: | 2023-08-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Design, Synthesis, and Antitumor Activity Evaluation of 2-Arylmethoxy-4-(2,2'-dihalogen-substituted biphenyl-3-ylmethoxy) Benzylamine Derivatives as Potent PD-1/PD-L1 Inhibitors.
J.Med.Chem., 66, 2023
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5BXA
 | | Structure of PslG from Pseudomonas aeruginosa in complex with mannose | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Baker, P, Little, D.J, Howell, P.L. | | Deposit date: | 2015-06-08 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterization of the Pseudomonas aeruginosa Glycoside Hydrolase PslG Reveals That Its Levels Are Critical for Psl Polysaccharide Biosynthesis and Biofilm Formation.
J.Biol.Chem., 290, 2015
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7YPZ
 | | Zafirlukast in complex with CRM1-Ran-RanBP1 | | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... | | Authors: | Sun, Q, Lei, Y. | | Deposit date: | 2022-08-05 | | Release date: | 2023-08-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Searching for Novel Noncovalent Nuclear Export Inhibitors through a Drug Repurposing Approach.
J.Med.Chem., 66, 2023
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7Y5W
 | | Cryo-EM structure of the left-handed Di-tetrasome | | Descriptor: | Histone H3.1, Histone H4, Widom 601 DNA (147-MER) | | Authors: | Liu, C.P, Yu, Z.Y, Yu, C, Xu, R.M. | | Deposit date: | 2022-06-17 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
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7ABG
 | | Human pre-Bact-1 spliceosome | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, Cell division cycle 5-like protein, ... | | Authors: | Townsend, C, Kastner, B, Leelaram, M.N, Bertram, K, Stark, H, Luehrmann, R. | | Deposit date: | 2020-09-07 | | Release date: | 2020-12-23 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (7.8 Å) | | Cite: | Mechanism of protein-guided folding of the active site U2/U6 RNA during spliceosome activation.
Science, 370, 2020
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9NL6
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6HCW
 | | Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine and a difluoro cyclohexyl chromone ligand | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LYSINE, Lysine--tRNA ligase, ... | | Authors: | Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | | Deposit date: | 2018-08-16 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6ARH
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7VIQ
 | | Crystal structure of Au(50EQ)-apo-R168H/L169C-rHLFr | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ... | | Authors: | Lu, C, Peng, X, Maity, B, Ito, N, Abe, S, Ueno, T, Lu, D. | | Deposit date: | 2021-09-27 | | Release date: | 2022-06-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design of a gold clustering site in an engineered apo-ferritin cage.
Commun Chem, 5, 2022
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