8TZH
| Structure of full-length LRRK2 bound to MLi-2 (I2020T mutant) | Descriptor: | (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine, E11 DARPin, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Sanz-Murillo, M, Villagran-Suarez, A, Alegrio Louro, J, Leschziner, A. | Deposit date: | 2023-08-26 | Release date: | 2023-12-06 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures. Sci Adv, 9, 2023
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7M8T
| Crystal Structure of HLA-A*11:01 in complex with NSASFSTFK, an 9-mer epitope from SARS-CoV-2 spike (S370-378) | Descriptor: | Beta-2-microglobulin, CALCIUM ION, CHLORIDE ION, ... | Authors: | Gras, S, Nguyen, A.T, Szeto, C. | Deposit date: | 2021-03-30 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | SARS-CoV-2 Spike-Derived Peptides Presented by HLA Molecules Biophysica, 1, 2021
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6ZEY
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6Z6C
| Crystal structurel of FleA lectin in complex with a monovalent inhibitor | Descriptor: | 4-((1-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)benzyl-a-L-thiofucoside, Fucose-specific lectin, GLYCEROL, ... | Authors: | Varrot, A. | Deposit date: | 2020-05-28 | Release date: | 2021-04-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Hexavalent thiofucosides to probe the role of the Aspergillus fumigatus lectin FleA in fungal pathogenicity. Org.Biomol.Chem., 19, 2021
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6RQK
| Crystal structure of GH125 1,6-alpha-mannosidase from Clostridium perfringens in complex with mannoimidazole | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, Alpha-1,6-mannosidase | Authors: | Males, A, Davies, G.J. | Deposit date: | 2019-05-16 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Distortion of mannoimidazole supports a B2,5boat transition state for the family GH125 alpha-1,6-mannosidase from Clostridium perfringens. Org.Biomol.Chem., 17, 2019
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5FM7
| Double-heterohexameric rings of full-length Rvb1(ADP)Rvb2(ADP) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, RVB1, RVB2 | Authors: | Silva-Martin, N, Dauden, M.I, Glatt, S, Hoffmann, N.A, Mueller, C.W. | Deposit date: | 2015-11-02 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | The Combination of X-Ray Crystallography and Cryo-Electron Microscopy Provides Insight Into the Overall Architecture of the Dodecameric Rvb1/Rvb2 Complex. Plos One, 11, 2016
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8TZB
| Structure of the C-terminal half of LRRK2 bound to GZD-824 (I2020T mutant) | Descriptor: | 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide, Leucine-rich repeat serine/threonine-protein kinase 2, designed ankyrin repeat proteins E11 | Authors: | Villagran-Suarez, A, Sanz-Murillo, M, Alegrio-Louro, J, Leschziner, A. | Deposit date: | 2023-08-26 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures. Sci Adv, 9, 2023
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6RRC
| Crystal structure of the N-terminal region of human cohesin subunit STAG1 in complex with RAD21 peptide | Descriptor: | Cohesin subunit SA-1, Double-strand-break repair protein rad21 homolog, SULFATE ION | Authors: | Newman, J.A, Katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2019-05-17 | Release date: | 2019-06-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers. Life Sci Alliance, 3, 2020
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8TDO
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6ZF2
| Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | Descriptor: | 5-cyclopropyl-1-[3-[(4-propylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2020-06-16 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
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8QLT
| Human MST3 (STK24) kinase in complex with inhibitor MR30 | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | Authors: | Balourdas, D.I, Rak, M, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-09-20 | Release date: | 2023-11-08 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Development of Selective Pyrido[2,3- d ]pyrimidin-7(8 H )-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors. J.Med.Chem., 67, 2024
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6U07
| Computational Stabilization of T Cell Receptor Constant Domains | Descriptor: | MAGNESIUM ION, Stabilized T cell receptor constant domain (Calpha), Stabilized T cell receptor constant domain (Cbeta) | Authors: | Froning, K, Maguire, J, Sereno, A, Huang, F, Chang, S, Weichert, K, Frommelt, A.J, Dong, J, Wu, X, Austin, H, Conner, E.M, Fitchett, J.R, Heng, A.R, Balasubramaniam, D, Hilgers, M.T, Kuhlman, B, Demarest, S.J. | Deposit date: | 2019-08-13 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Computational stabilization of T cell receptors allows pairing with antibodies to form bispecifics. Nat Commun, 11, 2020
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8QLS
| Human MST3 (STK24) kinase in complex with inhibitor MR26 | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | Authors: | Balourdas, D.I, Rak, M, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-09-20 | Release date: | 2023-11-08 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Development of Selective Pyrido[2,3- d ]pyrimidin-7(8 H )-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors. J.Med.Chem., 67, 2024
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1GVP
| GENE V PROTEIN (SINGLE-STRANDED DNA BINDING PROTEIN) | Descriptor: | GENE V PROTEIN | Authors: | Su, S, Gao, Y.-G, Zhang, H, Terwilliger, T.C, Wang, A.H.-J. | Deposit date: | 1997-02-26 | Release date: | 1997-09-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Analyses of the stability and function of three surface mutants (R82C, K69H, and L32R) of the gene V protein from Ff phage by X-ray crystallography. Protein Sci., 6, 1997
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6RK3
| Solution structure of the ribosome Elongation Factor P (EF-P) from Staphylococcus aureus | Descriptor: | Elongation factor P | Authors: | Usachev, K, Fatkhullin, B, Gabdulkhakov, A, Khusainov, I, Golubev, A, Validov, S, Yusupova, G, Yusupov, M. | Deposit date: | 2019-04-30 | Release date: | 2020-03-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR and crystallographic structural studies of the Elongation factor P from Staphylococcus aureus. Eur.Biophys.J., 49, 2020
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8A9O
| Structure of the polyamine acetyltransferase DpA | Descriptor: | ACETYL COENZYME *A, BROMIDE ION, COENZYME A, ... | Authors: | Garcia-Pino, A, Jurenas, D. | Deposit date: | 2022-06-28 | Release date: | 2023-07-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.587 Å) | Cite: | A polyamine acetyltransferase regulates the motility and biofilm formation of Acinetobacter baumannii. Nat Commun, 14, 2023
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7U4F
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2ICU
| Crystal Structure of Hypothetical Protein YedK From Escherichia coli | Descriptor: | Hypothetical protein yedK | Authors: | Chen, L, Liu, Z.J, Li, Y, Zhao, M, Rose, J, Ebihara, A, Yokoyama, S, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-09-13 | Release date: | 2006-11-07 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of Hypothetical Protein YedK From Escherichia coli To be Published
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1GQA
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8DSY
| PPARg bound to inverse agonist H3B-343 | Descriptor: | Peroxisome proliferator-activated receptor gamma, {5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid | Authors: | Larsen, N.A. | Deposit date: | 2022-07-24 | Release date: | 2022-09-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists. J.Biol.Chem., 298, 2022
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6U88
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5JAQ
| Yersinia pestis FabV variant T276C | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | Authors: | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | Deposit date: | 2016-04-12 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase. Biochemistry, 55, 2016
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7ML2
| RNA polymerase II pre-initiation complex (PIC3) | Descriptor: | BJ4_G0004860.mRNA.1.CDS.1, BJ4_G0050160.mRNA.1.CDS.1, DNA-directed RNA polymerase II subunit RPB11, ... | Authors: | Yang, C, Fujiwara, R, Kim, H.J, Gorbea Colon, J.J, Steimle, S, Garcia, B.A, Murakami, K. | Deposit date: | 2021-04-27 | Release date: | 2022-02-02 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural visualization of de novo transcription initiation by Saccharomyces cerevisiae RNA polymerase II. Mol.Cell, 82, 2022
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4KUZ
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6XLU
| Structure of SARS-CoV-2 spike at pH 4.0 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D. | Deposit date: | 2020-06-29 | Release date: | 2020-08-12 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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