8CY4
 
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 16 | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-[3-(4-hydroxyphenyl)propyl]adenosine, ... | | Authors: | Zhou, J, Horton, J.R, Cheng, X. | | Deposit date: | 2022-05-22 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
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5J77
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6V62
 | | SETD3 double mutant (N255F/W273A) in Complex with an Actin Peptide with His73 Replaced with Lysine | | Descriptor: | 1,2-ETHANEDIOL, Actin, cytoplasmic 1, ... | | Authors: | Dai, S, Horton, J.R, Cheng, X. | | Deposit date: | 2019-12-04 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | An engineered variant of SETD3 methyltransferase alters target specificity from histidine to lysine methylation.
J.Biol.Chem., 295, 2020
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6UTE
 | | Crystal structure of Z032 Fab in complex with WNV EDIII | | Descriptor: | Envelope domain III, GLYCEROL, Z032 Fab heavy chain, ... | | Authors: | Esswein, S.R, Gristick, H.B, Keeffe, J.R, Bjorkman, P.J. | | Deposit date: | 2019-10-29 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for Zika envelope domain III recognition by a germline version of a recurrent neutralizing antibody.
Proc.Natl.Acad.Sci.USA, 117, 2020
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1JA8
 | | Kinetic Analysis of Product Inhibition in Human Manganese Superoxide Dismutase | | Descriptor: | MANGANESE (II) ION, Manganese Superoxide Dismutase, SULFATE ION | | Authors: | Hearn, A.S, Stroupe, M.E, Cabelli, D.E, Lepock, J.R, Tainer, J.A, Nick, H.S, Silverman, D.S. | | Deposit date: | 2001-05-29 | | Release date: | 2001-06-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Kinetic analysis of product inhibition in human manganese superoxide dismutase.
Biochemistry, 40, 2001
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1JEY
 | | Crystal Structure of the Ku heterodimer bound to DNA | | Descriptor: | DNA (34-MER), DNA (5'-D(*GP*TP*TP*TP*TP*TP*AP*GP*TP*TP*TP*AP*TP*TP*GP*GP*GP*CP*GP*CP*G)-3'), Ku70, ... | | Authors: | Walker, J.R, Corpina, R.A, Goldberg, J. | | Deposit date: | 2001-06-19 | | Release date: | 2001-08-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the Ku heterodimer bound to DNA and its implications for double-strand break repair.
Nature, 412, 2001
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5JMS
 | | Crystal structure of TgCDPK1 bound to CGP060476 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Calmodulin-domain protein kinase 1, ... | | Authors: | El Bakkouri, M, Walker, J.R, Loppnau, P, Graslund, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-04-29 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of TgCDPK1bount to CGP060476
To Be Published
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6UYA
 | | Crystal structure of Compound 19 bound to IRAK4 | | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION | | Authors: | Kiefer, J.R, Bryan, M.C, Lupardus, P.J, Zarrin, A.A, Rajapaksa, N.S, Gobbi, A, Drobnick, J, Kolesnikov, A, Liang, J, Do, S. | | Deposit date: | 2019-11-12 | | Release date: | 2019-11-20 | | Last modified: | 2020-04-01 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Discovery of Potent Benzolactam IRAK4 Inhibitors with Robust in Vivo Activity.
Acs Med.Chem.Lett., 11, 2020
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5JO5
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1JMQ
 | | YAP65 (L30K mutant) WW domain in Complex with GTPPPPYTVG peptide | | Descriptor: | 65 KDA YES-ASSOCIATED PROTEIN, WW Domain Binding Protein-1 | | Authors: | Pires, J.R, Taha-Nejad, F, Toepert, F, Ast, T, Hoffmuller, U, Schneider-Mergener, J, Kuhne, R, Macias, M.J, Oschkinat, H. | | Deposit date: | 2001-07-19 | | Release date: | 2001-12-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the YAP65 WW domain and the variant L30 K in complex with the peptides GTPPPPYTVG, N-(n-octyl)-GPPPY and PLPPY and the application of peptide libraries reveal a minimal binding epitope.
J.Mol.Biol., 314, 2001
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5IZD
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5J3N
 | | C-terminal domain of EcoR124I HsdR subunit fused with the pH-sensitive GFP variant ratiometric pHluorin | | Descriptor: | Green fluorescent protein,HsdR | | Authors: | Grinkevich, P, Iermak, I, Luedtke, N, Mesters, J.R, Ettrich, R, Ludwig, J. | | Deposit date: | 2016-03-31 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of a novel domain of the motor subunit of the Type I restriction enzyme EcoR124 involved in complex assembly and DNA binding.
J. Biol. Chem., 293, 2018
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1JWT
 | | CRYSTAL STRUCTURE OF THROMBIN IN COMPLEX WITH A NOVEL BICYCLIC LACTAM INHIBITOR | | Descriptor: | 4-OXO-2-PHENYLMETHANESULFONYL-OCTAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBOXYLIC ACID [1-(N-HYDROXYCARBAMIMIDOYL)-PIPERIDIN-4-YLMETHYL]-AMIDE, Prothrombin | | Authors: | Levesque, S, St-Denis, Y, Bachand, B, Preville, P, Leblond, L, Winocour, P.D, Edmunds, J.J, Rubin, J.R, Siddiqui, M.A. | | Deposit date: | 2001-09-05 | | Release date: | 2002-02-27 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Novel bicyclic lactam inhibitors of thrombin: potency and selectivity optimization through P1 residues.
Bioorg.Med.Chem.Lett., 11, 2001
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2BRY
 | | Crystal structure of the native monooxygenase domain of MICAL at 1.45 A resolution | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Siebold, C, Berrow, N, Walter, T.S, Harlos, K, Owens, R.J, Terman, J.R, Stuart, D.I, Kolodkin, A.L, Pasterkamp, R.J, Jones, E.Y. | | Deposit date: | 2005-05-13 | | Release date: | 2005-10-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | High-Resolution Structure of the Catalytic Region of Mical (Molecule Interacting with Casl), a Multidomain Flavoenzyme-Signaling Molecule.
Proc.Natl.Acad.Sci.USA, 102, 2005
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2BPM
 | | STRUCTURE OF CDK2-CYCLIN A WITH PHA-630529 | | Descriptor: | (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | | Authors: | Cameron, A, Fogliatto, G, Pevarello, P, Brasca, M.G, Orsini, P, Traquandi, G, Longo, A, Nesi, M, Orzi, F, Piutti, C, Sansonna, P, Varasi, M, Vulpetti, A, Roletto, F, Alzani, R, Ciomei, M, Albanese, C, Pastori, W, Marsiglio, A, Pesenti, E, Fiorentini, F, Bischoff, J.R, Mercurio, C. | | Deposit date: | 2005-04-21 | | Release date: | 2005-12-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 3-Aminopyrazole Inhibitors of Cdk2-Cyclin a as Antitumor Agents. 2. Lead Optimization
J.Med.Chem., 48, 2005
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1JPO
 | | LOW TEMPERATURE ORTHORHOMBIC LYSOZYME | | Descriptor: | LYSOZYME | | Authors: | Bradbrook, G.M, Helliwell, J.R, Habash, J. | | Deposit date: | 1997-07-03 | | Release date: | 1997-11-12 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Time-Resolved Biological and Perturbation Chemical Crystallography: Laue and Monochromatic Developments
Time-Resolved Electron and X-Ray Diffraction; 13-14 July 1995, San Diego, California (in: Proc.Spie-Int.Soc.Opt.Eng., V.2521), 1995
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8DEO
 | | Structure of AAP A domain and B-repeats (residues 351-813) from Staphylococcus epidermidis | | Descriptor: | Accumulation associated protein, CALCIUM ION, CHLORIDE ION | | Authors: | Harris, G, Whelan, F, Clark, L, Turkenburg, J.P, Potts, J.R. | | Deposit date: | 2022-06-21 | | Release date: | 2023-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
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1K9Q
 | | YAP65 WW domain complexed to N-(n-octyl)-GPPPY-NH2 | | Descriptor: | 65 kDa Yes-associated protein, N-OCTANE, WW domain binding protein-1 | | Authors: | Pires, J.R, Taha-Nejad, F, Toepert, F, Ast, T, Hoffmuller, U, Schneider-Mergener, J, Kuhne, R, Macias, M.J, Oschkinat, H. | | Deposit date: | 2001-10-30 | | Release date: | 2001-12-28 | | Last modified: | 2021-11-10 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the YAP65 WW domain and the variant L30 K in complex with the peptides GTPPPPYTVG, N-(n-octyl)-GPPPY and PLPPY and the application of peptide libraries reveal a minimal binding epitope.
J.Mol.Biol., 314, 2001
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6V63
 | | SETD3 WT in Complex with an Actin Peptide with His73 Replaced with Glutamine | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Actin, ... | | Authors: | Dai, S, Horton, J.R, Cheng, X. | | Deposit date: | 2019-12-04 | | Release date: | 2020-01-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | An engineered variant of SETD3 methyltransferase alters target specificity from histidine to lysine methylation.
J.Biol.Chem., 295, 2020
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1K9R
 | | YAP65 WW domain complexed to Acetyl-PLPPY | | Descriptor: | 65 kDa Yes-associated protein, WW domain binding protein-1 | | Authors: | Pires, J.R, Taha-Nejad, F, Toepert, F, Ast, T, Hoffmuller, U, Schneider-Mergener, J, Kuhne, R, Macias, M.J, Oschkinat, H. | | Deposit date: | 2001-10-30 | | Release date: | 2001-12-28 | | Last modified: | 2021-11-10 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the YAP65 WW domain and the variant L30 K in complex with the peptides GTPPPPYTVG, N-(n-octyl)-GPPPY and PLPPY and the application of peptide libraries reveal a minimal binding epitope.
J.Mol.Biol., 314, 2001
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5J44
 | | Crystal structure of the Secreted Extracellular protein A (SepA) from Shigella flexneri | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Serine protease SepA autotransporter | | Authors: | Birtley, J.R, Stern, L.J, McCormick, B, Maldonado-Contreras, A. | | Deposit date: | 2016-03-31 | | Release date: | 2017-04-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.912 Å) | | Cite: | Shigella depends on SepA to destabilize the intestinal epithelial integrity via cofilin activation.
Gut Microbes, 8, 2017
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8DLD
 | | Crystal structure of chalcone-isomerase like protein from Physcomitrella patens (PpCHIL-A) | | Descriptor: | Chalcone-flavonone isomerase family protein | | Authors: | Wolf Saxon, E, Moorman, C, Castro, A, Ruiz, A, Mallari, J.P, Burke, J.R. | | Deposit date: | 2022-07-07 | | Release date: | 2023-05-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Regulatory ligand binding in plant chalcone isomerase-like (CHIL) proteins.
J.Biol.Chem., 299, 2023
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2BHG
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8DLC
 | | Crystal structure of chalcone-isomerase like protein from Vitis vinifera (VvCHIL) | | Descriptor: | Chalcone-flavonone isomerase family protein | | Authors: | Wolf Saxon, E, Moorman, C, Castro, A, Ruiz, A, Mallari, J.P, Burke, J.R. | | Deposit date: | 2022-07-07 | | Release date: | 2023-05-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Regulatory ligand binding in plant chalcone isomerase-like (CHIL) proteins.
J.Biol.Chem., 299, 2023
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2CG7
 | | SECOND AND THIRD FIBRONECTIN TYPE I MODULE PAIR (CRYSTAL FORM II). | | Descriptor: | FIBRONECTIN | | Authors: | Rudino-Pinera, E, Ravelli, R.B.G, Sheldrick, G.M, Nanao, M.H, Werner, J.M, Schwarz-Linek, U, Potts, J.R, Garman, E.F. | | Deposit date: | 2006-02-27 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The Solution and Crystal Structures of a Module Pair from the Staphylococcus Aureus-Binding Site of Human Fibronectin-A Tale with a Twist.
J.Mol.Biol., 368, 2007
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