7K76
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3E47
| Crystal Structure of the Yeast 20S Proteasome in Complex with Homobelactosin C | Descriptor: | Proteasome component C1, Proteasome component C11, Proteasome component C5, ... | Authors: | Groll, M, Larionov, O.V, de Meijere, A. | Deposit date: | 2008-08-10 | Release date: | 2008-09-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Inhibitor-binding mode of homobelactosin C to proteasomes: new insights into class I MHC ligand generation Proc.Natl.Acad.Sci.Usa, 103, 2006
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4IL5
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8WDF
| Chemoreceptor PilJ from Pseudomonas aeruginosa PA14 | Descriptor: | Chemotaxis chemoreceptor PilJ | Authors: | Cui, R, Li, D.F. | Deposit date: | 2023-09-15 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.996 Å) | Cite: | The ligand binding domain of a type IV pilus chemoreceptor PilJ has a different fold from that of another PilJ-type receptor McpN. Biochem.Biophys.Res.Commun., 706, 2024
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8CYI
| Cryo-EM structures and computational analysis for enhanced potency in MTA-synergic inhibition of human protein arginine methyltransferase 5 | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide, ... | Authors: | Yadav, G.P, Wei, Z, Xiaozhi, Y, Chenglong, L, Jiang, Q. | Deposit date: | 2022-05-23 | Release date: | 2023-04-12 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Cryo-EM structure-based selection of computed ligand poses enables design of MTA-synergic PRMT5 inhibitors of better potency. Commun Biol, 5, 2022
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5LRL
| CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003492875 | Descriptor: | 2-azanyl-5-chloranyl-~{N}-[(9~{R})-4-(1~{H}-imidazo[4,5-c]pyridin-2-yl)-9~{H}-fluoren-9-yl]pyrimidine-4-carboxamide, Heat shock protein HSP 90-alpha | Authors: | Vallee, F, Dupuy, A. | Deposit date: | 2016-08-19 | Release date: | 2017-08-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations. J.Chem.Inf.Model., 59, 2019
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1PQ9
| HUMAN LXR BETA HORMONE RECEPTOR COMPLEXED WITH T0901317 COMPLEX | Descriptor: | 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL, Oxysterols receptor LXR-beta, benzenesulfonic acid | Authors: | Farnegardh, M, Bonn, T, Sun, S, Ljunggren, J, Ahola, H, Wilhelmsson, A, Gustafsson, J.-A, Carlquist, M. | Deposit date: | 2003-06-18 | Release date: | 2003-09-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The three-dimensional structure of the liver X receptor beta reveals a flexible ligand-binding pocket that can accommodate fundamentally different ligands. J.Biol.Chem., 278, 2003
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1NW7
| Structure of the beta class N6-adenine DNA methyltransferase RsrI bound to S-ADENOSYL-L-HOMOCYSTEINE | Descriptor: | CHLORIDE ION, MODIFICATION METHYLASE RSRI, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Thomas, C.B, Scavetta, R.D, Gumport, R.I, Churchill, M.E.A. | Deposit date: | 2003-02-05 | Release date: | 2003-07-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of liganded and unliganded RsrI N6-adenine DNA methyltransferase: a distinct orientation for active cofactor binding J.Biol.Chem., 278, 2003
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1NW5
| Structure of the beta class N6-adenine DNA methyltransferase RsrI bound to S-ADENOSYLMETHIONINE | Descriptor: | CHLORIDE ION, MODIFICATION METHYLASE RSRI, S-ADENOSYLMETHIONINE | Authors: | Thomas, C.B, Scavetta, R.D, Gumport, R.I, Churchill, M.E.A. | Deposit date: | 2003-02-05 | Release date: | 2003-07-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structures of liganded and unliganded RsrI N6-adenine DNA methyltransferase: a distinct orientation for active cofactor binding J.Biol.Chem., 278, 2003
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1NW6
| Structure of the beta class N6-adenine DNA methyltransferase RsrI bound to sinefungin | Descriptor: | CHLORIDE ION, MODIFICATION METHYLASE RSRI, SINEFUNGIN | Authors: | Thomas, C.B, Scavetta, R.D, Gumport, R.I, Churchill, M.E.A. | Deposit date: | 2003-02-05 | Release date: | 2003-07-29 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structures of liganded and unliganded RsrI N6-adenine DNA methyltransferase: a distinct orientation for active cofactor binding J.Biol.Chem., 278, 2003
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1PQ6
| HUMAN LXR BETA HORMONE RECEPTOR / GW3965 COMPLEX | Descriptor: | ISOPROPYL ALCOHOL, Oxysterols receptor LXR-beta, [3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid | Authors: | Farnegardh, M, Bonn, T, Sun, S, Ljunggren, J, Ahola, H, Wilhelmsson, A, Gustafsson, J.-A, Carlquist, M. | Deposit date: | 2003-06-18 | Release date: | 2003-09-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The three-dimensional structure of the liver X receptor beta reveals a flexible ligand-binding pocket that can accommodate fundamentally different ligands. J.Biol.Chem., 278, 2003
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4I7S
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4IGX
| Crystal structure of kirola (Act d 11) - triclinic form | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Kirola, ... | Authors: | Chruszcz, M, Ciardiello, M.A, Giangrieco, I, Osinski, T, Minor, W. | Deposit date: | 2012-12-18 | Release date: | 2013-09-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins. Mol.Immunol., 56, 2013
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4IGY
| Crystal structure of kirola (Act d 11) - triclinic form | Descriptor: | CHLORIDE ION, Kirola, UNKNOWN LIGAND | Authors: | Chruszcz, M, Ciardiello, M.A, Giangrieco, I, Osinski, T, Minor, W. | Deposit date: | 2012-12-18 | Release date: | 2013-09-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins. Mol.Immunol., 56, 2013
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6IAL
| Porcine E.coli heat-labile enterotoxin B-pentamer in complex with Lacto-N-neohexaose | Descriptor: | CALCIUM ION, GLYCEROL, Heat-labile enterotoxin B chain, ... | Authors: | Heim, J.B, Heggelund, J.E, Krengel, U. | Deposit date: | 2018-11-27 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Specificity ofEscherichia coliHeat-Labile Enterotoxin Investigated by Single-Site Mutagenesis and Crystallography. Int J Mol Sci, 20, 2019
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4IGV
| Crystal structure of kirola (Act d 11) | Descriptor: | CHLORIDE ION, Kirola, UNKNOWN LIGAND | Authors: | Chruszcz, M, Ciardiello, M.A, Giangrieco, I, Osinski, T, Minor, W. | Deposit date: | 2012-12-18 | Release date: | 2013-09-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins. Mol.Immunol., 56, 2013
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4IHR
| Crystal structure of recombinant kirola (Act d 11) | Descriptor: | CHLORIDE ION, Kirola, UNKNOWN LIGAND | Authors: | Osinski, T, Majorek, K.A, Ciardiello, M.A, Chruszcz, M, Minor, W. | Deposit date: | 2012-12-19 | Release date: | 2013-09-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins. Mol.Immunol., 56, 2013
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4IH0
| Crystal structure of kirola (Act d 11) from crystal soaked with serotonin | Descriptor: | CHLORIDE ION, Kirola, MAGNESIUM ION, ... | Authors: | Chruszcz, M, Ciardiello, M.A, Giangrieco, I, Osinski, T, Minor, W. | Deposit date: | 2012-12-18 | Release date: | 2013-09-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins. Mol.Immunol., 56, 2013
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4IGW
| Crystal structure of kirola (Act d 11) in P6122 space group | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Kirola, ... | Authors: | Chruszcz, M, Ciardiello, M.A, Giangrieco, I, Osinski, T, Minor, W. | Deposit date: | 2012-12-18 | Release date: | 2013-09-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins. Mol.Immunol., 56, 2013
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4IH2
| Crystal structure of kirola (Act d 11) from crystal soaked with 2-aminopurine | Descriptor: | CHLORIDE ION, Kirola, UNKNOWN LIGAND | Authors: | Chruszcz, M, Ciardiello, M.A, Giangrieco, I, Osinski, T, Minor, W. | Deposit date: | 2012-12-18 | Release date: | 2013-09-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins. Mol.Immunol., 56, 2013
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7T11
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6NJZ
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4YZV
| Precleavage 70S structure of the P. vulgaris HigB deltaH92 toxin bound to the ACA codon | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Schureck, M.A, Dunkle, J.A, Maehigashi, T, Dunham, C.M. | Deposit date: | 2015-03-25 | Release date: | 2015-10-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Defining the mRNA recognition signature of a bacterial toxin protein. Proc.Natl.Acad.Sci.USA, 112, 2015
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4YPB
| Precleavage 70S structure of the P. vulgaris HigB DeltaH92 toxin bound to the AAA codon | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Schureck, M.A, Dunkle, J.A, Maehigashi, T, Dunham, C.M. | Deposit date: | 2015-03-12 | Release date: | 2015-10-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Defining the mRNA recognition signature of a bacterial toxin protein. Proc.Natl.Acad.Sci.USA, 112, 2015
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6B7A
| Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-methyl-1H-benzo[d]imidazol-4-ol | Descriptor: | 2-methyl-1H-benzimidazol-7-ol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Proudfoot, A.W, Bussiere, D, Lingel, A. | Deposit date: | 2017-10-03 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.991 Å) | Cite: | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc., 139, 2017
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