5KYV
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6Q8P
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![BU of 6q8p by Molmil](/molmil-images/mine/6q8p) | Structure of CLK1 with bound N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine | 分子名称: | Dual specificity protein kinase CLK1, POTASSIUM ION, ~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine | 著者 | Joerger, A.C, Chatterjee, D, Schroeder, M, Tazarki, H, Zeinyeh, W, Esvan, Y.J, Khiari, J, Josselin, B, Baratte, B, Bach, S, Ruchaud, S, Anizon, F, Giraud, F, Moreau, P, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-12-15 | 公開日 | 2019-02-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis. Eur J Med Chem, 166, 2019
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6FOQ
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6CJZ
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5L3A
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![BU of 5l3a by Molmil](/molmil-images/mine/5l3a) | Fragment-based discovery of 6-arylindazole JAK inhibitors | 分子名称: | Tyrosine-protein kinase JAK2, ~{N}-(1~{H}-indazol-4-yl)methanesulfonamide | 著者 | Soerensen, M.D, Dack, K.N, Greve, D.R, Ritzen, A. | 登録日 | 2016-04-06 | 公開日 | 2016-04-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Fragment-Based Discovery of 6-Arylindazole JAK Inhibitors. Acs Med.Chem.Lett., 7, 2016
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6CMG
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6YE9
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6Q48
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![BU of 6q48 by Molmil](/molmil-images/mine/6q48) | CDK2 in complex with FragLite7 | 分子名称: | 4-iodanyl-3~{H}-pyridin-2-one, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4H
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![BU of 6q4h by Molmil](/molmil-images/mine/6q4h) | CDK2 in complex with FragLite36 | 分子名称: | 2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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5L4Z
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6Y8P
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![BU of 6y8p by Molmil](/molmil-images/mine/6y8p) | Crystal structure of SNAP-tag labeled with a benzyl-tetramethylrhodamine fluorophore | 分子名称: | 1,2-ETHANEDIOL, O6-alkylguanine-DNA alkyltransferase mutant, ZINC ION, ... | 著者 | Gotthard, G, Tanzer, T, Johnsson, K, Hiblot, J. | 登録日 | 2020-03-05 | 公開日 | 2021-03-31 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag. Biochemistry, 60, 2021
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8WRA
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![BU of 8wra by Molmil](/molmil-images/mine/8wra) | The Crystal Structure of CASP1 from Biortus | 分子名称: | 1,2-ETHANEDIOL, Caspase-1 | 著者 | Wang, F, Cheng, W, Yuan, Z, Lin, D, Guo, S. | 登録日 | 2023-10-13 | 公開日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | The Crystal Structure of CASP1 from Biortus. To Be Published
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6YDB
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![BU of 6ydb by Molmil](/molmil-images/mine/6ydb) | Human wtSTING in complex with 2',2'-difluoro-3',3'-c-di-GMP | 分子名称: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-purin-6-one, Stimulator of interferon protein | 著者 | Boura, E, Smola, M. | 登録日 | 2020-03-20 | 公開日 | 2021-03-31 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.801 Å) | 主引用文献 | Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein. Angew.Chem.Int.Ed.Engl., 60, 2021
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8X1H
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6QB9
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![BU of 6qb9 by Molmil](/molmil-images/mine/6qb9) | Structure of an anti-Mcl1 scFv | 分子名称: | L(+)-TARTARIC ACID, scFv55 | 著者 | Hargreaves, D. | 登録日 | 2018-12-20 | 公開日 | 2019-11-06 | 最終更新日 | 2019-11-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1. Acta Crystallogr D Struct Biol, 75, 2019
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6CDD
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6FY8
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![BU of 6fy8 by Molmil](/molmil-images/mine/6fy8) | The crystal structure of EncM bromide soak | 分子名称: | BROMIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Putative FAD-dependent oxygenase EncM | 著者 | Saleem-Batcha, R, Teufel, R. | 登録日 | 2018-03-11 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Enzymatic control of dioxygen binding and functionalization of the flavin cofactor. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6FYA
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6FYH
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![BU of 6fyh by Molmil](/molmil-images/mine/6fyh) | Disulfide between ubiquitin G76C and the E3 HECT ligase Huwe1 | 分子名称: | E3 ubiquitin-protein ligase HUWE1, Polyubiquitin-B, SULFATE ION, ... | 著者 | Jaeckl, M, Hartmann, M.D, Wiesner, S. | 登録日 | 2018-03-12 | 公開日 | 2018-07-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.906 Å) | 主引用文献 | beta-Sheet Augmentation Is a Conserved Mechanism of Priming HECT E3 Ligases for Ubiquitin Ligation. J. Mol. Biol., 430, 2018
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6FR5
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![BU of 6fr5 by Molmil](/molmil-images/mine/6fr5) | HA1.7 TCR Study of CDR Loop Flexibility | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... | 著者 | Rizkallah, P.J, Cole, D.K. | 登録日 | 2018-02-15 | 公開日 | 2018-04-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | In Silicoand Structural Analyses Demonstrate That Intrinsic Protein Motions Guide T Cell Receptor Complementarity Determining Region Loop Flexibility. Front Immunol, 9, 2018
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6QDB
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6FU8
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6FUM
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6QH5
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![BU of 6qh5 by Molmil](/molmil-images/mine/6qh5) | AP2 clathrin adaptor mu2T156-phosphorylated core in closed conformation | 分子名称: | AP-2 complex subunit alpha, AP-2 complex subunit beta, AP-2 complex subunit mu, ... | 著者 | Wrobel, A.G, Owen, D.J, McCoy, A.J, Evans, P.R. | 登録日 | 2019-01-15 | 公開日 | 2019-09-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation. Dev.Cell, 50, 2019
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2IXA
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![BU of 2ixa by Molmil](/molmil-images/mine/2ixa) | A-zyme, N-acetylgalactosaminidase | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ALPHA-N-ACETYLGALACTOSAMINIDASE, ... | 著者 | Sulzenbacher, G, Liu, Q.P, Bourne, Y, Henrissat, B, Clausen, H. | 登録日 | 2006-07-07 | 公開日 | 2007-04-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Bacterial Glycosidases for the Production of Universal Red Blood Cells. Nat.Biotechnol., 25, 2007
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