6Y40
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![BU of 6y40 by Molmil](/molmil-images/mine/6y40) | 14-3-3 Sigma in complex with phosphorylated PLN peptide | 分子名称: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | 登録日 | 2020-02-19 | 公開日 | 2020-10-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes. Acta Crystallogr.,Sect.F, 76, 2020
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4I5P
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![BU of 4i5p by Molmil](/molmil-images/mine/4i5p) | Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain | 分子名称: | (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1H-pyrrol-2-yl)-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2 | 著者 | Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P. | 登録日 | 2012-11-28 | 公開日 | 2013-12-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.738 Å) | 主引用文献 | Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain. Chemmedchem, 8, 2013
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7N36
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6SP1
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![BU of 6sp1 by Molmil](/molmil-images/mine/6sp1) | KEAP1 IN COMPLEX WITH COMPOUND 6 | 分子名称: | (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1 | 著者 | Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S. | 登録日 | 2019-08-30 | 公開日 | 2020-06-03 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction. Acs Med.Chem.Lett., 11, 2020
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7N37
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![BU of 7n37 by Molmil](/molmil-images/mine/7n37) | Crystal structure of 3-site deamidated variant of human gamma(S)-crystallin | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Gamma-crystallin S, MAGNESIUM ION | 著者 | Norton-Baker, B, Mehrabi, P, Martin, R.W. | 登録日 | 2021-05-31 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Deamidation of the human eye lens protein gamma S-crystallin accelerates oxidative aging. Structure, 30, 2022
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7N38
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![BU of 7n38 by Molmil](/molmil-images/mine/7n38) | Crystal structure of 5-site deamidated variant of human gamma(S)-crystallin | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Gamma-crystallin S, MAGNESIUM ION | 著者 | Norton-Baker, B, Mehrabi, P, Martin, R.W. | 登録日 | 2021-05-31 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Deamidation of the human eye lens protein gamma S-crystallin accelerates oxidative aging. Structure, 30, 2022
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6BB4
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7N3A
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7N39
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7N3B
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1O4A
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![BU of 1o4a by Molmil](/molmil-images/mine/1o4a) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU82197. | 分子名称: | 4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-FORMYL-BENZOIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | 著者 | Lange, G, Loenze, P, Liesum, A. | 登録日 | 2003-06-15 | 公開日 | 2004-02-17 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
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8P65
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7T4D
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![BU of 7t4d by Molmil](/molmil-images/mine/7t4d) | Pore structure of pore-forming toxin Epx4 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Epx4 | 著者 | Xiong, X.Z, Dong, M, Yang, P, Abraham, J. | 登録日 | 2021-12-09 | 公開日 | 2022-03-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Emerging enterococcus pore-forming toxins with MHC/HLA-I as receptors. Cell, 185, 2022
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7MYV
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6Y9B
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5FNU
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![BU of 5fnu by Molmil](/molmil-images/mine/5fnu) | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | 分子名称: | (3S)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | 著者 | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | 登録日 | 2015-11-16 | 公開日 | 2016-04-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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2WBB
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![BU of 2wbb by Molmil](/molmil-images/mine/2wbb) | FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE-1- PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH AN AMP SITE INHIBITOR | 分子名称: | FRUCTOSE-1,6-BISPHOSPHATASE 1, N-{[(2Z)-5-BROMO-1,3-THIAZOL-2(3H)-YLIDENE]CARBAMOYL}-4-METHYLBENZENESULFONAMIDE | 著者 | Ruf, A, Joseph, C, Benz, J, Fol, B, Tetaz, T, Kitas, E, Mohr, P, Kuhn, B, Wessel, H.P, Hebeisen, P, Haap, W, Huber, W, Alvarez Sanchez, R, Paehler, A, Bernadeau, A, Gubler, M, Schott, B, Tozzo, E. | 登録日 | 2009-02-26 | 公開日 | 2009-12-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Sulfonylureido Thiazoles as Fructose-1,6-Bisphosphatase Inhibitors for the Treatment of Type-2 Diabetes. Bioorg.Med.Chem.Lett., 20, 2010
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5FSJ
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![BU of 5fsj by Molmil](/molmil-images/mine/5fsj) | Structure of thermolysin prepared by the 'soak-and-freeze' method under 45 bar of oxygen pressure | 分子名称: | CALCIUM ION, LYSINE, OXYGEN MOLECULE, ... | 著者 | Lafumat, B, Mueller-Dieckmann, C, Colloc'h, N, Prange, T, Royant, A, van der Linden, P, Carpentier, P. | 登録日 | 2016-01-06 | 公開日 | 2016-10-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.201 Å) | 主引用文献 | Gas-Sensitive Biological Crystals Processed in Pressurized Oxygen and Krypton Atmospheres: Deciphering Gas Channels in Proteins Using a Novel `Soak-and-Freeze' Methodology. J.Appl.Crystallogr., 49, 2016
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7T4Q
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![BU of 7t4q by Molmil](/molmil-images/mine/7t4q) | CryoEM structure of the HCMV Pentamer gH/gL/UL128/UL130/UL131A in complex with neutralizing fabs 2C12, 7I13 and 13H11 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, Envelope glycoprotein L, ... | 著者 | Kschonsak, M, Johnson, M.C, Schelling, R, Green, E.M, Rouge, L, Ho, H, Patel, N, Kilic, C, Kraft, E, Arthur, C.P, Rohou, A.L, Comps-Agrar, L, Martinez-Martin, N, Perez, L, Payandeh, J, Ciferri, C. | 登録日 | 2021-12-10 | 公開日 | 2022-03-23 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structural basis for HCMV Pentamer receptor recognition and antibody neutralization. Sci Adv, 8, 2022
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7T4S
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![BU of 7t4s by Molmil](/molmil-images/mine/7t4s) | CryoEM structure of the HCMV Pentamer gH/gL/UL128/UL130/UL131A in complex with NRP2 and neutralizing fabs 8I21 and 13H11 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Envelope glycoprotein H, ... | 著者 | Kschonsak, M, Johnson, M.C, Schelling, R, Green, E.M, Rouge, L, Ho, H, Patel, N, Kilic, C, Kraft, E, Arthur, C.P, Rohou, A.L, Comps-Agrar, L, Martinez-Martin, N, Perez, L, Payandeh, J, Ciferri, C. | 登録日 | 2021-12-10 | 公開日 | 2022-03-23 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural basis for HCMV Pentamer receptor recognition and antibody neutralization. Sci Adv, 8, 2022
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6FIJ
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![BU of 6fij by Molmil](/molmil-images/mine/6fij) | Structure of the loading/condensing region (SAT-KS-MAT) of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, ... | 著者 | Herbst, D.A, Jakob, R.P, Townsend, C.A, Maier, T. | 登録日 | 2018-01-18 | 公開日 | 2018-03-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | The structural organization of substrate loading in iterative polyketide synthases. Nat. Chem. Biol., 14, 2018
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5FF4
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![BU of 5ff4 by Molmil](/molmil-images/mine/5ff4) | HydE from T. maritima in complex with (2R,4R)-TMeTDA | 分子名称: | (2~{R},4~{R})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ... | 著者 | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | 登録日 | 2015-12-17 | 公開日 | 2016-04-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE. Nat.Chem., 8, 2016
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7TF1
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![BU of 7tf1 by Molmil](/molmil-images/mine/7tf1) | Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) Q484I spike protein (focused refinement of RBD) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | 著者 | Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S. | 登録日 | 2022-01-06 | 公開日 | 2022-03-30 | 実験手法 | ELECTRON MICROSCOPY (3.57 Å) | 主引用文献 | Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants. Nat Commun, 13, 2022
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5FT0
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![BU of 5ft0 by Molmil](/molmil-images/mine/5ft0) | Crystal structure of gp37(Dip) from bacteriophage phiKZ | 分子名称: | ARGININE, GP37, POTASSIUM ION | 著者 | Van den Bossche, A, Hardwick, S.W, Ceyssens, P.J, Hendrix, H, Voet, M, Dendooven, T, Bandyra, K.J, De Maeyer, M, Aertsen, A, Noben, J.P, Luisi, B.F, Lavigne, R. | 登録日 | 2016-01-08 | 公開日 | 2016-08-03 | 最終更新日 | 2017-03-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural elucidation of a novel mechanism for the bacteriophage-based inhibition of the RNA degradosome. Elife, 5, 2016
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4R6O
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![BU of 4r6o by Molmil](/molmil-images/mine/4r6o) | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | 分子名称: | 1,2-ETHANEDIOL, 4-METHYL-2H-CHROMEN-2-ONE, Agglutinin alpha chain, ... | 著者 | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | 登録日 | 2014-08-26 | 公開日 | 2015-02-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity. Acta Crystallogr.,Sect.D, 71, 2015
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