8CLM
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6TZI
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![BU of 6tzi by Molmil](/molmil-images/mine/6tzi) | ADC-7 in complex with boronic acid transition state inhibitor PFC_001 | 分子名称: | Beta-lactamase, phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid | 著者 | Fish, E.R, Powers, R.A, Wallar, B.J. | 登録日 | 2019-08-12 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.744 Å) | 主引用文献 | 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase. Acs Infect Dis., 6, 2020
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8CKS
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![BU of 8cks by Molmil](/molmil-images/mine/8cks) | Crystal structure of Human Serum Albumin in complex with FESAN | 分子名称: | 3,3'-commo-bis(1,2-dicarba-3-ferra-closo-dodecaborane), DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Dolot, R.M, Kaniowski, D, Ebenryter-Olbinska, K, Szczupak, P, Suwara, J, Nawrot, B.C. | 登録日 | 2023-02-16 | 公開日 | 2023-03-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure of Human Serum Albumin in complex with FESAN To Be Published
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6UFT
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4ZRG
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![BU of 4zrg by Molmil](/molmil-images/mine/4zrg) | Visual arrestin mutant - R175E | 分子名称: | CARBON DIOXIDE, S-arrestin | 著者 | Granzin, J, Stadler, A, Cousin, A, Schlesinger, R, Batra-Safferling, R. | 登録日 | 2015-05-12 | 公開日 | 2015-11-11 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural evidence for the role of polar core residue Arg175 in arrestin activation. Sci Rep, 5, 2015
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7SKJ
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6OGX
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![BU of 6ogx by Molmil](/molmil-images/mine/6ogx) | Ternary complex of OX40R (TNFRSF4) bound to Fab1 and Fab2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 1 Heavy Chain, Fab1 Light Chain, ... | 著者 | Ultsch, M.H, Boenig, G, Harris, S.F. | 登録日 | 2019-04-03 | 公開日 | 2019-07-10 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | Tetravalent biepitopic targeting enables intrinsic antibody agonism of tumor necrosis factor receptor superfamily members. Mabs, 11, 2019
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8C4I
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6OHB
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![BU of 6ohb by Molmil](/molmil-images/mine/6ohb) | E. coli Guanine Deaminase | 分子名称: | Guanine deaminase, ZINC ION | 著者 | Shek, R.S, French, J.B. | 登録日 | 2019-04-05 | 公開日 | 2019-07-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural Determinants for Substrate Selectivity in Guanine Deaminase Enzymes of the Amidohydrolase Superfamily. Biochemistry, 58, 2019
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8OQL
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![BU of 8oql by Molmil](/molmil-images/mine/8oql) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-1 | 分子名称: | 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Hexafluorophosphate anion, ... | 著者 | Dalwani, S, Wierenga, R.K, Venkatesan, R. | 登録日 | 2023-04-12 | 公開日 | 2024-01-24 | 最終更新日 | 2024-08-14 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 80, 2024
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7S8Z
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4ZIN
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![BU of 4zin by Molmil](/molmil-images/mine/4zin) | Genetically encoded Phenyl Azide Photochemistry Drive Positive and Negative Functional Modulation of a Red Fluorescent Protein | 分子名称: | 1,2-ETHANEDIOL, MCherry fluorescent protein, SULFATE ION | 著者 | Reddington, S.C, Driezis, S, Hartley, A.M, Watson, P.D, Rizkallah, P.J, Jones, D.D. | 登録日 | 2015-04-28 | 公開日 | 2015-09-16 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Genetically encoded phenyl azide photochemistry drives positive and negative functional modulation of a red fluorescent protein Rsc Adv, 5, 2015
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6U61
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![BU of 6u61 by Molmil](/molmil-images/mine/6u61) | BRD2-BD1 in complex with the cyclic peptide 3.1_3 | 分子名称: | Bromodomain-containing protein 2, ZINC ION, cyclic peptide 3.1_3 | 著者 | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | 登録日 | 2019-08-28 | 公開日 | 2020-08-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
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4ZNY
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8BZ3
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![BU of 8bz3 by Molmil](/molmil-images/mine/8bz3) | Structure od the carbohydrate reconition domain of Gal3 in comples with SAF-2-010 | 分子名称: | Galectin-3, [(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-acetamido-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate | 著者 | Medrano, F.J, Romero, A. | 登録日 | 2022-12-14 | 公開日 | 2023-03-01 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Selectively Modified Lactose and N -Acetyllactosamine Analogs at Three Key Positions to Afford Effective Galectin-3 Ligands. Int J Mol Sci, 24, 2023
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6LER
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![BU of 6ler by Molmil](/molmil-images/mine/6ler) | 169 bp nucleosome harboring non-identical cohesive DNA termini. | 分子名称: | CALCIUM ION, DNA (169-MER), Histone H2A type 1-B/E, ... | 著者 | Sharma, D, Adhireksan, Z, Lee, P.L, Davey, C.A. | 登録日 | 2019-11-26 | 公開日 | 2021-03-03 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Engineering nucleosomes for generating diverse chromatin assemblies. Nucleic Acids Res., 49, 2021
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6OIU
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7RZD
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![BU of 7rzd by Molmil](/molmil-images/mine/7rzd) | CRYSTAL STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PEPTIDE | 分子名称: | Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ... | 著者 | Patskovsky, Y, Patskovska, L, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | 登録日 | 2021-08-27 | 公開日 | 2022-11-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
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7S8A
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![BU of 7s8a by Molmil](/molmil-images/mine/7s8a) | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE, CUBIC CRYSTAL FORM | 分子名称: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ACETATE ION, Beta-2-microglobulin, ... | 著者 | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | 登録日 | 2021-09-17 | 公開日 | 2022-11-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
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7NL7
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![BU of 7nl7 by Molmil](/molmil-images/mine/7nl7) | Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand | 分子名称: | 3-Aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside, CALCIUM ION, DC-SIGN, ... | 著者 | Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T. | 登録日 | 2021-02-22 | 公開日 | 2021-10-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2. J.Am.Chem.Soc., 143, 2021
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8OTL
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![BU of 8otl by Molmil](/molmil-images/mine/8otl) | structure of InhA from Mycobacterium tuberculosis in complex with 5-(((4-(2-hydroxyphenoxy)benzyl)(octyl)amino)methyl)-2-phenoxyphenol | 分子名称: | 1,2-ETHANEDIOL, 5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol, ACETATE ION, ... | 著者 | Tamhaev, R, Maveyraud, L, Chebaiki, M, Lherbet, C, Mourey, L. | 登録日 | 2023-04-21 | 公開日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.108 Å) | 主引用文献 | Exploring the plasticity of the InhA substrate-binding site using new diaryl ether inhibitors. Bioorg.Chem., 143, 2023
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7S9G
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![BU of 7s9g by Molmil](/molmil-images/mine/7s9g) | Room-temperature Human Hsp90a-NTD bound to BIIB021 | 分子名称: | 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION | 著者 | Stachowski, T.R, Vanarotti, M, Fischer, M. | 登録日 | 2021-09-21 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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7VEL
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![BU of 7vel by Molmil](/molmil-images/mine/7vel) | Crystal structure of Phytolacca americana UGT3 with UDP-2fluoroglucose | 分子名称: | 1,2-ETHANEDIOL, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Glycosyltransferase, ... | 著者 | Maharjan, R, Fukuda, Y, Nakayama, T, Nakayama, T, Hamada, H, Ozaki, S, Inoue, T. | 登録日 | 2021-09-09 | 公開日 | 2022-03-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural basis for substrate recognition in the Phytolacca americana glycosyltransferase PaGT3. Acta Crystallogr D Struct Biol, 78, 2022
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7VEK
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![BU of 7vek by Molmil](/molmil-images/mine/7vek) | Crystal structure of Phytolacca americana UGT3 with capsaicin and UDP-2fluoroglucose | 分子名称: | (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Glycosyltransferase, ... | 著者 | Maharjan, R, Fukuda, Y, Nakayama, T, Nakayama, T, Hamada, H, Ozaki, S, Inoue, T. | 登録日 | 2021-09-09 | 公開日 | 2022-03-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural basis for substrate recognition in the Phytolacca americana glycosyltransferase PaGT3. Acta Crystallogr D Struct Biol, 78, 2022
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8CIR
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![BU of 8cir by Molmil](/molmil-images/mine/8cir) | The FERM domain of human moesin with a bound peptide identified by phage display | 分子名称: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ... | 著者 | Bradshaw, W.J, Katis, V.L, Leisner, T.M, Fairhead, M, Bountra, C, von Delft, F, Pearce, K.H, Brennan, P.E. | 登録日 | 2023-02-10 | 公開日 | 2023-03-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease. J.Biol.Chem., 299, 2023
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