8CY4
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![BU of 8cy4 by Molmil](/molmil-images/mine/8cy4) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 16 | 分子名称: | 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, ... | 著者 | Zhou, J, Horton, J.R, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | 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
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![BU of 6v62 by Molmil](/molmil-images/mine/6v62) | SETD3 double mutant (N255F/W273A) in Complex with an Actin Peptide with His73 Replaced with Lysine | 分子名称: | 1,2-ETHANEDIOL, Actin, cytoplasmic 1, ... | 著者 | Dai, S, Horton, J.R, Cheng, X. | 登録日 | 2019-12-04 | 公開日 | 2020-01-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | An engineered variant of SETD3 methyltransferase alters target specificity from histidine to lysine methylation. J.Biol.Chem., 295, 2020
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6UTE
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![BU of 6ute by Molmil](/molmil-images/mine/6ute) | Crystal structure of Z032 Fab in complex with WNV EDIII | 分子名称: | Envelope domain III, GLYCEROL, Z032 Fab heavy chain, ... | 著者 | Esswein, S.R, Gristick, H.B, Keeffe, J.R, Bjorkman, P.J. | 登録日 | 2019-10-29 | 公開日 | 2020-04-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | 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
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![BU of 1ja8 by Molmil](/molmil-images/mine/1ja8) | Kinetic Analysis of Product Inhibition in Human Manganese Superoxide Dismutase | 分子名称: | MANGANESE (II) ION, Manganese Superoxide Dismutase, SULFATE ION | 著者 | Hearn, A.S, Stroupe, M.E, Cabelli, D.E, Lepock, J.R, Tainer, J.A, Nick, H.S, Silverman, D.S. | 登録日 | 2001-05-29 | 公開日 | 2001-06-06 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Kinetic analysis of product inhibition in human manganese superoxide dismutase. Biochemistry, 40, 2001
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1JEY
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![BU of 1jey by Molmil](/molmil-images/mine/1jey) | Crystal Structure of the Ku heterodimer bound to DNA | 分子名称: | 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, ... | 著者 | Walker, J.R, Corpina, R.A, Goldberg, J. | 登録日 | 2001-06-19 | 公開日 | 2001-08-10 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of the Ku heterodimer bound to DNA and its implications for double-strand break repair. Nature, 412, 2001
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5JMS
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![BU of 5jms by Molmil](/molmil-images/mine/5jms) | Crystal structure of TgCDPK1 bound to CGP060476 | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Calmodulin-domain protein kinase 1, ... | 著者 | 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) | 登録日 | 2016-04-29 | 公開日 | 2016-05-18 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of TgCDPK1bount to CGP060476 To Be Published
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6UYA
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![BU of 6uya by Molmil](/molmil-images/mine/6uya) | Crystal structure of Compound 19 bound to IRAK4 | 分子名称: | 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 | 著者 | 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. | 登録日 | 2019-11-12 | 公開日 | 2019-11-20 | 最終更新日 | 2020-04-01 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | 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
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![BU of 1jmq by Molmil](/molmil-images/mine/1jmq) | YAP65 (L30K mutant) WW domain in Complex with GTPPPPYTVG peptide | 分子名称: | 65 KDA YES-ASSOCIATED PROTEIN, WW Domain Binding Protein-1 | 著者 | Pires, J.R, Taha-Nejad, F, Toepert, F, Ast, T, Hoffmuller, U, Schneider-Mergener, J, Kuhne, R, Macias, M.J, Oschkinat, H. | 登録日 | 2001-07-19 | 公開日 | 2001-12-21 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | 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
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![BU of 5j3n by Molmil](/molmil-images/mine/5j3n) | C-terminal domain of EcoR124I HsdR subunit fused with the pH-sensitive GFP variant ratiometric pHluorin | 分子名称: | Green fluorescent protein,HsdR | 著者 | Grinkevich, P, Iermak, I, Luedtke, N, Mesters, J.R, Ettrich, R, Ludwig, J. | 登録日 | 2016-03-31 | 公開日 | 2017-04-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | 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
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![BU of 1jwt by Molmil](/molmil-images/mine/1jwt) | CRYSTAL STRUCTURE OF THROMBIN IN COMPLEX WITH A NOVEL BICYCLIC LACTAM INHIBITOR | 分子名称: | 4-OXO-2-PHENYLMETHANESULFONYL-OCTAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBOXYLIC ACID [1-(N-HYDROXYCARBAMIMIDOYL)-PIPERIDIN-4-YLMETHYL]-AMIDE, Prothrombin | 著者 | Levesque, S, St-Denis, Y, Bachand, B, Preville, P, Leblond, L, Winocour, P.D, Edmunds, J.J, Rubin, J.R, Siddiqui, M.A. | 登録日 | 2001-09-05 | 公開日 | 2002-02-27 | 最終更新日 | 2017-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Novel bicyclic lactam inhibitors of thrombin: potency and selectivity optimization through P1 residues. Bioorg.Med.Chem.Lett., 11, 2001
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2BRY
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![BU of 2bry by Molmil](/molmil-images/mine/2bry) | Crystal structure of the native monooxygenase domain of MICAL at 1.45 A resolution | 分子名称: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | 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. | 登録日 | 2005-05-13 | 公開日 | 2005-10-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | 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
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![BU of 2bpm by Molmil](/molmil-images/mine/2bpm) | STRUCTURE OF CDK2-CYCLIN A WITH PHA-630529 | 分子名称: | (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | 著者 | 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. | 登録日 | 2005-04-21 | 公開日 | 2005-12-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | 3-Aminopyrazole Inhibitors of Cdk2-Cyclin a as Antitumor Agents. 2. Lead Optimization J.Med.Chem., 48, 2005
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1JPO
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![BU of 1jpo by Molmil](/molmil-images/mine/1jpo) | LOW TEMPERATURE ORTHORHOMBIC LYSOZYME | 分子名称: | LYSOZYME | 著者 | Bradbrook, G.M, Helliwell, J.R, Habash, J. | 登録日 | 1997-07-03 | 公開日 | 1997-11-12 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 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
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![BU of 8deo by Molmil](/molmil-images/mine/8deo) | Structure of AAP A domain and B-repeats (residues 351-813) from Staphylococcus epidermidis | 分子名称: | Accumulation associated protein, CALCIUM ION, CHLORIDE ION | 著者 | Harris, G, Whelan, F, Clark, L, Turkenburg, J.P, Potts, J.R. | 登録日 | 2022-06-21 | 公開日 | 2023-05-03 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 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
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![BU of 1k9q by Molmil](/molmil-images/mine/1k9q) | YAP65 WW domain complexed to N-(n-octyl)-GPPPY-NH2 | 分子名称: | 65 kDa Yes-associated protein, N-OCTANE, WW domain binding protein-1 | 著者 | Pires, J.R, Taha-Nejad, F, Toepert, F, Ast, T, Hoffmuller, U, Schneider-Mergener, J, Kuhne, R, Macias, M.J, Oschkinat, H. | 登録日 | 2001-10-30 | 公開日 | 2001-12-28 | 最終更新日 | 2021-11-10 | 実験手法 | SOLUTION NMR | 主引用文献 | 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
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![BU of 6v63 by Molmil](/molmil-images/mine/6v63) | SETD3 WT in Complex with an Actin Peptide with His73 Replaced with Glutamine | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Actin, ... | 著者 | Dai, S, Horton, J.R, Cheng, X. | 登録日 | 2019-12-04 | 公開日 | 2020-01-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | An engineered variant of SETD3 methyltransferase alters target specificity from histidine to lysine methylation. J.Biol.Chem., 295, 2020
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1K9R
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![BU of 1k9r by Molmil](/molmil-images/mine/1k9r) | YAP65 WW domain complexed to Acetyl-PLPPY | 分子名称: | 65 kDa Yes-associated protein, WW domain binding protein-1 | 著者 | Pires, J.R, Taha-Nejad, F, Toepert, F, Ast, T, Hoffmuller, U, Schneider-Mergener, J, Kuhne, R, Macias, M.J, Oschkinat, H. | 登録日 | 2001-10-30 | 公開日 | 2001-12-28 | 最終更新日 | 2021-11-10 | 実験手法 | SOLUTION NMR | 主引用文献 | 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
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![BU of 5j44 by Molmil](/molmil-images/mine/5j44) | Crystal structure of the Secreted Extracellular protein A (SepA) from Shigella flexneri | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Serine protease SepA autotransporter | 著者 | Birtley, J.R, Stern, L.J, McCormick, B, Maldonado-Contreras, A. | 登録日 | 2016-03-31 | 公開日 | 2017-04-12 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.912 Å) | 主引用文献 | Shigella depends on SepA to destabilize the intestinal epithelial integrity via cofilin activation. Gut Microbes, 8, 2017
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8DLD
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![BU of 8dld by Molmil](/molmil-images/mine/8dld) | Crystal structure of chalcone-isomerase like protein from Physcomitrella patens (PpCHIL-A) | 分子名称: | Chalcone-flavonone isomerase family protein | 著者 | Wolf Saxon, E, Moorman, C, Castro, A, Ruiz, A, Mallari, J.P, Burke, J.R. | 登録日 | 2022-07-07 | 公開日 | 2023-05-10 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | 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
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![BU of 8dlc by Molmil](/molmil-images/mine/8dlc) | Crystal structure of chalcone-isomerase like protein from Vitis vinifera (VvCHIL) | 分子名称: | Chalcone-flavonone isomerase family protein | 著者 | Wolf Saxon, E, Moorman, C, Castro, A, Ruiz, A, Mallari, J.P, Burke, J.R. | 登録日 | 2022-07-07 | 公開日 | 2023-05-10 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Regulatory ligand binding in plant chalcone isomerase-like (CHIL) proteins. J.Biol.Chem., 299, 2023
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2CG7
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![BU of 2cg7 by Molmil](/molmil-images/mine/2cg7) | SECOND AND THIRD FIBRONECTIN TYPE I MODULE PAIR (CRYSTAL FORM II). | 分子名称: | FIBRONECTIN | 著者 | 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. | 登録日 | 2006-02-27 | 公開日 | 2007-02-27 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | 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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