6UGO
 
 | | Human Carbonic Anhydrase IX-mimic complexed with SB4-205 | | Descriptor: | 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, CITRIC ACID, Carbonic anhydrase IX-mimic, ... | | Authors: | Murray, A.B, McKenna, R, Lomelino, C.L. | | Deposit date: | 2019-09-26 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.457 Å) | | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
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9NHL
 | | BG505-CH505 Env glycoprotein in complex with NHP pAb FP-1 isolated from animal RUu18 at week 14 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pratap, P.P, Ozorowski, G, Ward, A.B. | | Deposit date: | 2025-02-24 | | Release date: | 2025-06-25 | | Last modified: | 2025-09-03 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Immunofocusing on the conserved fusion peptide of HIV envelope glycoprotein in rhesus macaques.
Npj Vaccines, 10, 2025
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2KTS
 | | NMR structure of the protein NP_415897.1 | | Descriptor: | Heat shock protein hslJ | | Authors: | Serrano, P, Jaudzems, K, Geralt, M, Horst, R, Wuthrich, K, Wilson, I.A, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2010-02-06 | | Release date: | 2010-02-23 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the protein NP_415897.1
To be Published
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9NI9
 | | BG505-CH505 Env glycoprotein in complex with NHP pAb Base-1 isolated from animal RUu18 at week 14 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505-CH505 Envelope glycoprotein gp120, ... | | Authors: | Pratap, P.P, Ozorowski, G, Ward, A.B. | | Deposit date: | 2025-02-25 | | Release date: | 2025-06-25 | | Last modified: | 2025-09-03 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Immunofocusing on the conserved fusion peptide of HIV envelope glycoprotein in rhesus macaques.
Npj Vaccines, 10, 2025
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9EZ4
 | | Complex of a mutant of the SARS-CoV-2 main protease Mpro with the nsp5/6 substrate peptide. | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLUTAMINE, ... | | Authors: | Battistutta, R, Fornasier, E, Giachin, G. | | Deposit date: | 2024-04-10 | | Release date: | 2025-02-12 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Allostery in homodimeric SARS-CoV-2 main protease.
Commun Biol, 7, 2024
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9EY9
 | | Yeast 20S proteasome in complex with a sybactin derivative (PheSyr) | | Descriptor: | MAGNESIUM ION, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ... | | Authors: | Praeve, L, Kuttenlochner, W, Tabak, W.W.A, Langer, C, Kaiser, M, Groll, M, Bode, H.B. | | Deposit date: | 2024-04-09 | | Release date: | 2025-02-19 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Bioengineering of syrbactin megasynthetases for immunoproteasome inhibitor production
Chem, 10, 2024
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7UW4
 | | Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB113 and coactivator peptide GRIP-1 | | Descriptor: | (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-propylcyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Chattopadhyay, D, Yang, Z, Atigadda, V. | | Deposit date: | 2022-05-02 | | Release date: | 2023-03-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conformationally Defined Rexinoids for the Prevention of Inflammation and Nonmelanoma Skin Cancers.
J.Med.Chem., 65, 2022
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9EZ6
 | | Complex of a mutant of the SARS-CoV-2 main protease Mpro with the nsp14/15 substrate peptide. | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Battistutta, R, Fornasier, E, Giachin, G. | | Deposit date: | 2024-04-10 | | Release date: | 2025-02-12 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Allostery in homodimeric SARS-CoV-2 main protease.
Commun Biol, 7, 2024
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9NR6
 | | The structure of Noelin 1 with cerebellar GluA1/A4-ATD | | Descriptor: | 11B8 scFv, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Fang, C.F, Gouaux, E. | | Deposit date: | 2025-03-14 | | Release date: | 2025-07-02 | | Last modified: | 2025-09-24 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Gating and noelin clustering of native Ca 2+ -permeable AMPA receptors.
Nature, 645, 2025
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9E9I
 | | Crystal Structure of human KRAS G12C covalently bound to nopinone-derived naphthol compound 21 | | Descriptor: | 1,2-ETHANEDIOL, 1-{6-[(4P,6R,8R)-3-fluoro-4-(3-hydroxynaphthalen-1-yl)-7,7-dimethyl-5,6,7,8-tetrahydro-6,8-methanoquinolin-2-yl]-2,6-diazaspiro[3.4]octan-2-yl}propan-1-one, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Mohr, C. | | Deposit date: | 2024-11-08 | | Release date: | 2025-02-26 | | Last modified: | 2025-03-05 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Identification of Structurally Novel KRAS G12C Inhibitors through Covalent DNA-Encoded Library Screening.
J.Med.Chem., 68, 2025
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9EU1
 | | GH29A alpha-L-fucosidase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-L-fucosidase, ... | | Authors: | Yang, Y.Y, Zeuner, B, Morth, J.P. | | Deposit date: | 2024-03-27 | | Release date: | 2025-03-05 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural elucidation and characterization of GH29A alpha-l-fucosidases and the effect of pH on their transglycosylation.
Febs J., 292, 2025
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8XF7
 | | High-resolution structure of the siderophore periplasmic binding protein FtsB from Streptococcus pyogenes with ferrioxamine E bound | | Descriptor: | (8E)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone, 1,2-ETHANEDIOL, FE (III) ION, ... | | Authors: | Caaveiro, J.M.M, Fernandez-Perez, J, Tsumoto, K. | | Deposit date: | 2023-12-13 | | Release date: | 2024-10-09 | | Last modified: | 2024-12-18 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Structural basis for the ligand promiscuity of the hydroxamate siderophore binding protein FtsB from Streptococcus pyogenes.
Structure, 32, 2024
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7UGL
 | | Bromodomain of CBP liganded with BMS-536924 and SGC-CBP30 | | Descriptor: | (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Histone acetyltransferase | | Authors: | Schonbrunn, E, Bikowitz, M. | | Deposit date: | 2022-03-24 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
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8XLH
 | | Structure of chimeric RyR-I4657M/G4819E | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | | Authors: | Lin, L, Wang, C, Wang, W, Jiang, H, Yuchi, Z. | | Deposit date: | 2023-12-26 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | Cryo-EM structures of ryanodine receptors and diamide insecticides reveal the mechanisms of selectivity and resistance.
Nat Commun, 15, 2024
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3B5O
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8XLF
 | | Structure of chimeric RyR | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | | Authors: | Lin, L, Wang, C, Wang, W, Jiang, H, Yuchi, Z. | | Deposit date: | 2023-12-25 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | Cryo-EM structures of ryanodine receptors and diamide insecticides reveal the mechanisms of selectivity and resistance.
Nat Commun, 15, 2024
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4U5F
 | | Crystal structure of GluA2, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex, GluA2cryst2 construct | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ... | | Authors: | Chen, L, Gouaux, E. | | Deposit date: | 2014-07-24 | | Release date: | 2014-08-13 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism.
Science, 345, 2014
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8XKH
 | | Structure of chimeric RyR Complex with tetraniliprole | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | | Authors: | Lin, L, Wang, C, Wang, W, Jiang, H, Yuchi, Z. | | Deposit date: | 2023-12-23 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.87 Å) | | Cite: | Cryo-EM structures of ryanodine receptors and diamide insecticides reveal the mechanisms of selectivity and resistance.
Nat Commun, 15, 2024
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7UYA
 | | Inhibitor bound VIM1 | | Descriptor: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | | Authors: | Fischmann, T.O, Scapin, G. | | Deposit date: | 2022-05-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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2KPY
 | | Solution Structure of the major allergen of Artemisia vulgaris (Art v 1) | | Descriptor: | Major pollen allergen Art v 1 | | Authors: | Razzera, G, Gadermaier, G, Almeida, M, Egger, M, Jahn-Schmid, B, Almeida, F, Ferreira, F, Valente, A. | | Deposit date: | 2009-10-23 | | Release date: | 2010-10-06 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | Mapping the interactions between a major pollen allergen and human IgE antibodies.
Structure, 18, 2010
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3AZT
 | | Diverse Substrates Recognition Mechanism Revealed by Thermotoga maritima Cel5A Structures in Complex with Cellotetraose | | Descriptor: | Endoglucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Wu, T.H, Huang, C.H, Ko, T.P, Lai, H.L, Ma, Y, Chen, C.C, Cheng, Y.S, Liu, J.R, Guo, R.T. | | Deposit date: | 2011-05-30 | | Release date: | 2011-08-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Diverse substrate recognition mechanism revealed by Thermotoga maritima Cel5A structures in complex with cellotetraose, cellobiose and mannotriose
Biochim.Biophys.Acta, 1814, 2011
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7UYB
 | | Inhibitor bound VIM1 | | Descriptor: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | | Authors: | Fischmann, T.O, Scapin, G. | | Deposit date: | 2022-05-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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7UYC
 | | Inhibitor bound VIM1 | | Descriptor: | (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, MAGNESIUM ION, ... | | Authors: | Fischmann, T.O, Scapin, G. | | Deposit date: | 2022-05-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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4ZLU
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8WYH
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