7ZY0
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![BU of 7zy0 by Molmil](/molmil-images/mine/7zy0) | Crystal structure of compound 7 bound to CK2alpha | 分子名称: | 2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha | 著者 | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | 登録日 | 2022-05-23 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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5EAE
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![BU of 5eae by Molmil](/molmil-images/mine/5eae) | Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor R-desthio-prothioconazole | 分子名称: | (2~{R})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Tyndall, J.D.A, Sabherwal, M, Sagatova, A.A, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C. | 登録日 | 2015-10-16 | 公開日 | 2016-02-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals. PLoS ONE, 11, 2016
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6I3I
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8A9D
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![BU of 8a9d by Molmil](/molmil-images/mine/8a9d) | Multicrystal room temperature structure of Lysozyme collected using a double multilayer monochromator. | 分子名称: | Lysozyme, SODIUM ION | 著者 | Sandy, J, Cheruvara, H, Mikolajek, H, Sanchez-Weatherby, J. | 登録日 | 2022-06-28 | 公開日 | 2022-07-20 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi. Iucrj, 10, 2023
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7ZY8
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![BU of 7zy8 by Molmil](/molmil-images/mine/7zy8) | Crystal structure of compound 2 bound to CK2alpha | 分子名称: | 3-[3,5-bis(chloranyl)phenyl]propan-1-amine, ACETATE ION, Casein kinase II subunit alpha, ... | 著者 | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | 登録日 | 2022-05-24 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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3ECV
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![BU of 3ecv by Molmil](/molmil-images/mine/3ecv) | |
6I7F
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![BU of 6i7f by Molmil](/molmil-images/mine/6i7f) | Dehaloperoxidase B from Amphitrite ornata - complex with 2,4-dichlorophenol | 分子名称: | 2,4-dichlorophenol, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Moreno-Chicano, T, Ebrahim, A.E, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Sugimoto, H, Tono, K, Owada, S, Duyvesteyn, H. | 登録日 | 2018-11-16 | 公開日 | 2019-11-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography. Iucrj, 6, 2019
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8A59
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![BU of 8a59 by Molmil](/molmil-images/mine/8a59) | C-type lectin-like domain (CTLD) and Sushi-like domain of human CD93 | 分子名称: | Complement component C1q receptor, GLYCEROL, SULFATE ION | 著者 | Tassone, G, Barbera, S, Raucci, L, Orlandini, M, Pozzi, C. | 登録日 | 2022-06-14 | 公開日 | 2022-11-02 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Dimerization of the C-type lectin-like receptor CD93 promotes its binding to Multimerin-2 in endothelial cells. Int.J.Biol.Macromol., 224, 2023
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5DQ2
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![BU of 5dq2 by Molmil](/molmil-images/mine/5dq2) | Endothiapepsin in complex with fragment 48 | 分子名称: | 1,2-ETHANEDIOL, Endothiapepsin, GLYCEROL, ... | 著者 | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | 登録日 | 2015-09-14 | 公開日 | 2016-09-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.514 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
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6I8S
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5DR4
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![BU of 5dr4 by Molmil](/molmil-images/mine/5dr4) | Endothiapepsin in complex with fragment 231 | 分子名称: | 7-methyl-3,4-dihydro-2~{H}-pyrido[1,2-a]pyrimidin-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Schiebel, J, Heine, A, Klebe, G. | 登録日 | 2015-09-15 | 公開日 | 2016-09-28 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
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7ZY5
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![BU of 7zy5 by Molmil](/molmil-images/mine/7zy5) | Crystal structure of compound 2 bound to CK2alpha | 分子名称: | 1-NAPHTHOL, ACETATE ION, Casein kinase II subunit alpha | 著者 | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | 登録日 | 2022-05-23 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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6TLP
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![BU of 6tlp by Molmil](/molmil-images/mine/6tlp) | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE | 分子名称: | 5,6-DIBROMOBENZOTRIAZOLE, CITRATE ANION, Casein kinase II subunit alpha, ... | 著者 | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | 登録日 | 2019-12-03 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2. J.Phys.Chem.B, 125, 2021
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7ZY2
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![BU of 7zy2 by Molmil](/molmil-images/mine/7zy2) | Crystal structure of compound 7 bound to CK2alpha | 分子名称: | 5-bromanyl-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | 登録日 | 2022-05-23 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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3EGN
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3ECU
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3ED9
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![BU of 3ed9 by Molmil](/molmil-images/mine/3ed9) | Carbonmonoxy Sperm Whale Myoglobin at 140 K: Laser on [30 min] | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S. | 登録日 | 2008-09-02 | 公開日 | 2009-02-24 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin. Proc.Natl.Acad.Sci.USA, 106, 2009
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7ZYR
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![BU of 7zyr by Molmil](/molmil-images/mine/7zyr) | Compound 20 Bound to CK2alpha | 分子名称: | 5-bromanyl-6-chloranyl-3-(1~{H}-pyrrol-2-ylmethyl)-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Brear, P, Hyvonen, M. | 登録日 | 2022-05-25 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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6I9J
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![BU of 6i9j by Molmil](/molmil-images/mine/6i9j) | Human transforming growth factor beta2 in a tetragonal crystal form | 分子名称: | Transforming growth factor beta-2 proprotein | 著者 | Gomis-Ruth, F.X, Marino-Puertas, L, del Amo-Maestro, L, Goulas, T. | 登録日 | 2018-11-23 | 公開日 | 2019-07-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Recombinant production, purification, crystallization, and structure analysis of human transforming growth factor beta 2 in a new conformation. Sci Rep, 9, 2019
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3EKD
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6ICH
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![BU of 6ich by Molmil](/molmil-images/mine/6ich) | Grb2 SH2 domain in domain swapped dimer form | 分子名称: | Growth factor receptor-bound protein 2 | 著者 | Hosoe, Y, Numoto, N, Inaba, S, Ogawa, S, Morii, H, Abe, R, Ito, N, Oda, M. | 登録日 | 2018-09-06 | 公開日 | 2019-07-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and functional properties of Grb2 SH2 dimer in CD28 binding. Biophys Physicobio., 16, 2019
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3EL1
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![BU of 3el1 by Molmil](/molmil-images/mine/3el1) | Crystal Structure of wild-type HIV protease in complex with the inhibitor, Atazanavir | 分子名称: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ... | 著者 | Schiffer, C.A, Nalam, M.N.L. | 登録日 | 2008-09-19 | 公開日 | 2009-09-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease. Acs Chem.Biol., 7, 2012
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3EG0
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5DYP
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6TP4
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![BU of 6tp4 by Molmil](/molmil-images/mine/6tp4) | Crystal structure of the Orexin-1 receptor in complex with ACT-462206 | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide, Orexin receptor type 1, ... | 著者 | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | 登録日 | 2019-12-12 | 公開日 | 2020-01-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.011 Å) | 主引用文献 | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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