7BGQ
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![BU of 7bgq by Molmil](/molmil-images/mine/7bgq) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1019 | 分子名称: | 14-3-3 protein sigma, 2-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde, CALCIUM ION, ... | 著者 | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | 登録日 | 2021-01-08 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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7BJW
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6RGK
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![BU of 6rgk by Molmil](/molmil-images/mine/6rgk) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-055 | 分子名称: | 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-butyl-prop-2-ynamide, FORMIC ACID, GLYCEROL, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2019-04-16 | 公開日 | 2019-07-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
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7BIQ
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![BU of 7biq by Molmil](/molmil-images/mine/7biq) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-180 | 分子名称: | 14-3-3 protein sigma, 4-[[(2~{R})-2-methyl-3,4-dihydro-2~{H}-quinolin-1-yl]sulfonyl]benzaldehyde, CALCIUM ION, ... | 著者 | Wolter, M, Ottmann, C. | 登録日 | 2021-01-13 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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7BJF
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7BGR
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![BU of 7bgr by Molmil](/molmil-images/mine/7bgr) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1016 | 分子名称: | 14-3-3 protein sigma, 2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde, CALCIUM ION, ... | 著者 | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | 登録日 | 2021-01-08 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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6RH0
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![BU of 6rh0 by Molmil](/molmil-images/mine/6rh0) | Revisiting pH-gated conformational switch. Complex HK853-RR468 pH 5.5 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Response regulator, ... | 著者 | Mideros-Mora, C, Casino, P, Marina, A. | 登録日 | 2019-04-18 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | 主引用文献 | Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases. Nat Commun, 11, 2020
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7BKH
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6RHM
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![BU of 6rhm by Molmil](/molmil-images/mine/6rhm) | Room temperature data of Galectin-3C in complex with a pair of enantiomeric ligands: S enantiomer | 分子名称: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | 著者 | Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. | 登録日 | 2019-04-22 | 公開日 | 2019-08-21 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.596 Å) | 主引用文献 | Are crystallographic B-factors suitable for calculating protein conformational entropy? Phys Chem Chem Phys, 21, 2019
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5LQ1
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![BU of 5lq1 by Molmil](/molmil-images/mine/5lq1) | 1.41 A resolution structure of PtxB from Trichodesmium erythraeum IMS101 in complex with methylphosphonate | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, METHYLPHOSPHONIC ACID ESTER GROUP, ... | 著者 | Bisson, C, Adams, N.B.P, Polyviou, D, Bibby, T.S, Hunter, C.N, Hitchcock, A. | 登録日 | 2016-08-15 | 公開日 | 2017-12-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | The molecular basis of phosphite and hypophosphite recognition by ABC-transporters. Nat Commun, 8, 2017
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7BDP
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![BU of 7bdp by Molmil](/molmil-images/mine/7bdp) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1017 | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde, MAGNESIUM ION, ... | 著者 | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | 登録日 | 2020-12-22 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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5M9J
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![BU of 5m9j by Molmil](/molmil-images/mine/5m9j) | Human angiogenin PD variant K60E | 分子名称: | Angiogenin, L(+)-TARTARIC ACID | 著者 | Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R. | 登録日 | 2016-11-01 | 公開日 | 2017-02-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis. Sci Rep, 7, 2017
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7BGV
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![BU of 7bgv by Molmil](/molmil-images/mine/7bgv) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1012 | 分子名称: | 14-3-3 protein sigma, 3-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde, CALCIUM ION, ... | 著者 | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | 登録日 | 2021-01-08 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.683 Å) | 主引用文献 | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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7BDT
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![BU of 7bdt by Molmil](/molmil-images/mine/7bdt) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1009 | 分子名称: | 14-3-3 protein sigma, 2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde, MAGNESIUM ION, ... | 著者 | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | 登録日 | 2020-12-22 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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7BDY
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![BU of 7bdy by Molmil](/molmil-images/mine/7bdy) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound PC2068B | 分子名称: | 14-3-3 protein sigma, 2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde, CALCIUM ION, ... | 著者 | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | 登録日 | 2020-12-22 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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7BGF
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7BFW
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![BU of 7bfw by Molmil](/molmil-images/mine/7bfw) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound PC2068A | 分子名称: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | 著者 | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | 登録日 | 2021-01-05 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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5MAP
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![BU of 5map by Molmil](/molmil-images/mine/5map) | X-ray generated oxyferrous complex of DtpA from Streptomyces lividans | 分子名称: | DtpA, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Moreno Chicano, T, Chaplin, A.K, Worrall, J.A.R, Strange, R.W, Hough, M.A. | 登録日 | 2016-11-04 | 公開日 | 2017-05-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Photoreduction and validation of haem-ligand intermediate states in protein crystals by in situ single-crystal spectroscopy and diffraction. IUCrJ, 4, 2017
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7BI3
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7B9H
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![BU of 7b9h by Molmil](/molmil-images/mine/7b9h) | Crystal structure of the PDE4D catalytic domain in complex with GEBR-42a | 分子名称: | 1,2-ETHANEDIOL, 3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one, MAGNESIUM ION, ... | 著者 | Torretta, A, Abbate, S, Parisini, E. | 登録日 | 2020-12-14 | 公開日 | 2021-06-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors. Eur.J.Med.Chem., 223, 2021
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6S38
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![BU of 6s38 by Molmil](/molmil-images/mine/6s38) | Ligand binding domain of the P. putida receptor PcaY_PP in complex with quinate | 分子名称: | (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid, Aromatic acid chemoreceptor | 著者 | Gavira, J.A, Mantilla, M.A, Fernandez, M, Krell, T. | 登録日 | 2019-06-24 | 公開日 | 2020-10-21 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | The structural basis for signal promiscuity in a bacterial chemoreceptor. Febs J., 288, 2021
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5MB4
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6S3M
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![BU of 6s3m by Molmil](/molmil-images/mine/6s3m) | Crystal structure of helicase Pif1 from Thermus oshimai in complex with ssDNA (dT)18 and ADP-AlF4 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*TP*TP*TP*TP*TP*G)-3'), MAGNESIUM ION, ... | 著者 | Dai, Y.X, Chen, W.F, Teng, F.Y, Liu, N.N, Hou, X.M, Dou, S.X, Rety, S, Xi, X.G. | 登録日 | 2019-06-25 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.113 Å) | 主引用文献 | Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition. Nucleic Acids Res., 49, 2021
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6RHW
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![BU of 6rhw by Molmil](/molmil-images/mine/6rhw) | Crystal structure of human CD11b I-domain (CD11b-I) in complex with Staphylococcus aureus octameric bi-component leukocidin LukGH | 分子名称: | Beta-channel forming cytolysin, DIMETHYL SULFOXIDE, Integrin alpha-M, ... | 著者 | Trstenjak, N, Milic, D, Djinovic-Carugo, K, Badarau, A. | 登録日 | 2019-04-23 | 公開日 | 2019-12-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Molecular mechanism of leukocidin GH-integrin CD11b/CD18 recognition and species specificity. Proc.Natl.Acad.Sci.USA, 117, 2020
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6S40
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![BU of 6s40 by Molmil](/molmil-images/mine/6s40) | Fragment AZ-001 binding at the p53pT387/14-3-3 sigma interface and additional sites | 分子名称: | 14-3-3 protein sigma, 4-chloranyl-1-benzothiophene-2-carboximidamide, CALCIUM ION, ... | 著者 | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | 登録日 | 2019-06-26 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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