8W0Y
 
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9F50
 | | UP1 in complex with Z906021418 | | 分子名称: | 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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9F5E
 | | UP1 in complex with Z30820160 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(4-methyl-1,3-thiazol-2-yl)propanamide | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8VJ3
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8V9G
 | | GES-5-meropenem complex | | 分子名称: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, IODIDE ION, ... | | 著者 | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | | 登録日 | 2023-12-08 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Restricted Rotational Flexibility of the C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the GES-5 Carbapenemase.
Acs Infect Dis., 10, 2024
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8YGZ
 | | The Crystal Structure of TGF beta R2 kinase domain from Biortus. | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, TGF-beta receptor type-2 | | 著者 | Wang, F, Cheng, W, Lv, Z, Ju, C, Wang, J. | | 登録日 | 2024-02-27 | | 公開日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The Crystal Structure of TGF beta R2 kinase domain from Biortus.
To Be Published
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8WT4
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8U32
 | | Crystal structure of PD-1 in complex with a Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ... | | 著者 | Sun, D, Masureel, M. | | 登録日 | 2023-09-07 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Structure- and machine learning-guided engineering demonstrate that a non-canonical disulfide in an anti-PD-1 rabbit antibody does not impede antibody developability.
Mabs, 16, 2024
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8UZ8
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9F4W
 | | UP1 in complex with Z54508609 | | 分子名称: | 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8TNT
 | | Crystal structure of Epstein-Barr virus gH/gL/gp42 in complex with antibodies F-2-1 and 769C2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 769C2 heavy chain, 769C2 light chain, ... | | 著者 | Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I. | | 登録日 | 2023-08-02 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells.
Immunity, 57, 2024
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8WG2
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8WM0
 | | Crystal structure of TNIK-thiopeptide wTP3 complex | | 分子名称: | ADENOSINE, THIOPEPTIDE wTP3, TRAF2 and NCK-interacting protein kinase | | 著者 | Hamada, K, Kobayashi, S, Vinogradov, A.A, Zhang, Y, Goto, Y, Suga, H, Ogata, K, Sengoku, T. | | 登録日 | 2023-10-01 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | A Compact Reprogrammed Genetic Code for De Novo Discovery of Proteolytically Stable Thiopeptides.
J.Am.Chem.Soc., 2024
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8XGK
 | | Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Ihhibitors | | 分子名称: | (2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ... | | 著者 | Otake, K, Hara, Y, Ubukata, M, Inoue, M, Nagahashi, N, Motoda, D, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K. | | 登録日 | 2023-12-15 | | 公開日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors.
J.Med.Chem., 67, 2024
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9F53
 | | UP1 in complex with Z237527902 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(5-methyl-1H-pyrazol-3-yl)acetamide | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8UUW
 | | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12145 | | 分子名称: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide, ACETATE ION, CHLORIDE ION, ... | | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | | 登録日 | 2023-11-02 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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8W8T
 | | Crystal structure of human CLEC12A CRD | | 分子名称: | C-type lectin domain family 12 member A, SULFATE ION | | 著者 | Mori, S, Nagae, M, Yamasaki, S. | | 登録日 | 2023-09-04 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of the complex of CLEC12A and an antibody that interferes with binding of diverse ligands.
Int.Immunol., 36, 2024
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8V15
 | | Human SIRT3 bound to p53-AMC peptide, Carba-NAD, and Honokiol | | 分子名称: | (1P)-3',5-di(prop-2-en-1-yl)[1,1'-biphenyl]-2,4'-diol, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLN-PRO-LYS-FDL, ... | | 著者 | Chakrabarti, R, Ghosh, A, Guan, X, Upadhyay, A, Dumpati, R.K, Munshi, S, Roy, S, Chall, S, Rahnamoun, A, Reverdy, C, Errasti, G, Delacroix, T. | | 登録日 | 2023-11-19 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Computationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion
biorxiv, 2023
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9F4S
 | | UP1 in complex with Z56880342 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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9F5C
 | | UP1 in complex with Z198195770 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-[3-(carbamoylamino)phenyl]acetamide | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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9EUA
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 23d | | 分子名称: | (1-propylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Buffa, V, Hausch, F. | | 登録日 | 2024-03-27 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile.
Chemmedchem, 2024
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8WR8
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8XLD
 | | Structure of the GFP:GFP-nanobody complex from Biortus. | | 分子名称: | 1,2-ETHANEDIOL, Nanobody(Staygold-S2G10)-Nanobody(Staygold-S4F1), ZINC ION, ... | | 著者 | Wang, F, Cheng, W, Yuan, Z, Lin, D, Bao, C. | | 登録日 | 2023-12-25 | | 公開日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure of the GFP:GFP-nanobody complex from Biortus.
To Be Published
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8VRS
 | | Mucin 16 peptide fused to MBP in complex with 4H11-scFv antibody | | 分子名称: | 4H11 scFv chain, Maltose/maltodextrin-binding periplasmic protein,Mucin-16 | | 著者 | Lee, K, Perry, K, Yeku, O.O, Spriggs, D.R. | | 登録日 | 2024-01-22 | | 公開日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Structural basis for antibody recognition of the proximal MUC16 ectodomain.
J Ovarian Res, 17, 2024
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8W0B
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