6SGD
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![BU of 6sgd by Molmil](/molmil-images/mine/6sgd) | Nek2 kinase covalently bound to 2-arylamino-6-ethynylpurine inhibitor 24 | 分子名称: | 4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SODIUM ION, ... | 著者 | Richards, M.W, Mas-Droux, C.P, Bayliss, R. | 登録日 | 2019-08-04 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase. Rsc Med Chem, 11, 2020
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6SGI
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![BU of 6sgi by Molmil](/molmil-images/mine/6sgi) | Nek2 kinase bound to inhibitor 96 | 分子名称: | 4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, Serine/threonine-protein kinase Nek2 | 著者 | Richards, M.W, Mas-Droux, C.P, Bayliss, R. | 登録日 | 2019-08-05 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase. Rsc Med Chem, 11, 2020
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7KGB
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6SGH
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7BJ6
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![BU of 7bj6 by Molmil](/molmil-images/mine/7bj6) | Inhibitor of MDM2-p53 Interaction | 分子名称: | (3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | 著者 | Williams, P.A. | 登録日 | 2021-01-14 | 公開日 | 2021-04-07 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
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7BIT
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![BU of 7bit by Molmil](/molmil-images/mine/7bit) | Inhibitor of MDM2-p53 Interaction | 分子名称: | (3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[(1-oxidanylcyclopropyl)methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | 著者 | Williams, P.A. | 登録日 | 2021-01-13 | 公開日 | 2021-04-07 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
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7BIV
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![BU of 7biv by Molmil](/molmil-images/mine/7biv) | Inhibitor of MDM2-p53 Interaction | 分子名称: | 1,2-ETHANEDIOL, 6-[[(1~{R})-1-(4-chlorophenyl)-7-fluoranyl-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-2-yl]methyl]pyridine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Williams, P.A. | 登録日 | 2021-01-13 | 公開日 | 2021-04-07 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
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7BIR
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![BU of 7bir by Molmil](/molmil-images/mine/7bir) | Inhibitor of MDM2-p53 Interaction | 分子名称: | 1-[[(1~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | 著者 | Williams, P.A. | 登録日 | 2021-01-13 | 公開日 | 2021-04-07 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
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7BJ0
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![BU of 7bj0 by Molmil](/molmil-images/mine/7bj0) | Inhibitor of MDM2-p53 Interaction | 分子名称: | (3~{R})-4-chloranyl-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-nitrophenyl)methyl]isoindol-1-one, E3 ubiquitin-protein ligase Mdm2 | 著者 | Williams, P.A. | 登録日 | 2021-01-13 | 公開日 | 2021-04-07 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
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7BMG
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![BU of 7bmg by Molmil](/molmil-images/mine/7bmg) | Inhibitor of MDM2-p53 Interaction | 分子名称: | (3~{R})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase Mdm2 | 著者 | Williams, P.A. | 登録日 | 2021-01-20 | 公開日 | 2021-04-07 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
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5M57
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![BU of 5m57 by Molmil](/molmil-images/mine/5m57) | Nek2 bound to arylaminopurine 6 | 分子名称: | O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE, Serine/threonine-protein kinase Nek2 | 著者 | Bayliss, R. | 登録日 | 2016-10-20 | 公開日 | 2016-11-23 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-guided design of purine-based probes for selective Nek2 inhibition. Oncotarget, 8, 2017
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1G9O
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![BU of 1g9o by Molmil](/molmil-images/mine/1g9o) | FIRST PDZ DOMAIN OF THE HUMAN NA+/H+ EXCHANGER REGULATORY FACTOR | 分子名称: | NHE-RF | 著者 | Karthikeyan, S, Leung, T, Birrane, G, Webster, G, Ladias, J.A.A. | 登録日 | 2000-11-26 | 公開日 | 2001-05-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structure of the PDZ1 domain of human Na(+)/H(+) exchanger regulatory factor provides insights into the mechanism of carboxyl-terminal leucine recognition by class I PDZ domains. J.Mol.Biol., 308, 2001
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5M51
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![BU of 5m51 by Molmil](/molmil-images/mine/5m51) | Nek2 bound to arylaminopurine compound 8 | 分子名称: | 3-[[6-(cyclohexylmethoxy)-9~{H}-purin-2-yl]amino]benzamide, Serine/threonine-protein kinase Nek2 | 著者 | Bayliss, R, Yeoh, S. | 登録日 | 2016-10-20 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.899 Å) | 主引用文献 | Structure-guided design of purine-based probes for selective Nek2 inhibition. Oncotarget, 8, 2017
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5M53
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![BU of 5m53 by Molmil](/molmil-images/mine/5m53) | Nek2 bound to arylaminopurine inhibitor 11 | 分子名称: | 1,2-ETHANEDIOL, 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N},~{N}-dimethyl-benzamide, DI(HYDROXYETHYL)ETHER, ... | 著者 | Bayliss, R, Carr, K.H. | 登録日 | 2016-10-20 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-guided design of purine-based probes for selective Nek2 inhibition. Oncotarget, 8, 2017
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5M55
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![BU of 5m55 by Molmil](/molmil-images/mine/5m55) | Nek2 bound to arylaminopurine 71 | 分子名称: | 6-[(~{Z})-2-(diethylamino)ethenyl]-~{N}-phenyl-7~{H}-purin-2-amine, CHLORIDE ION, SULFATE ION, ... | 著者 | Bayliss, R. | 登録日 | 2016-10-20 | 公開日 | 2016-11-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure-guided design of purine-based probes for selective Nek2 inhibition. Oncotarget, 8, 2017
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5FEG
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5FEF
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5FDS
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6FCM
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![BU of 6fcm by Molmil](/molmil-images/mine/6fcm) | Crystal structure of human PCNA | 分子名称: | Proliferating cell nuclear antigen | 著者 | Housset, D, Frachet, P. | 登録日 | 2017-12-20 | 公開日 | 2019-01-30 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Cytosolic PCNA interacts with p47phox and controls NADPH oxidase NOX2 activation in neutrophils. J.Exp.Med., 216, 2019
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6FCN
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7PPX
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![BU of 7ppx by Molmil](/molmil-images/mine/7ppx) | ATAD2 in complex with FragLite3 | 分子名称: | 1,2-ETHANEDIOL, 4-bromanyl-1,2-oxazole, ATPase family AAA domain-containing protein 2, ... | 著者 | Turberville, S, Martin, M.P, Hope, I, Wood, D.J, Ng, Y.M, Heath, R, Endicott, J.A, Noble, M.E.M. | 登録日 | 2021-09-15 | 公開日 | 2022-09-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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2N3Y
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![BU of 2n3y by Molmil](/molmil-images/mine/2n3y) | NMR structure of the Y48pCMF variant of human cytochrome c in its reduced state | 分子名称: | Cytochrome c, Mesoheme | 著者 | Moreno-Beltran, B, Del Conte, R, Diaz-Quintana, A, De la Rosa, M.A, Turano, P, Diaz-Moreno, I. | 登録日 | 2015-06-15 | 公開日 | 2016-12-14 | 最終更新日 | 2017-04-26 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural basis of mitochondrial dysfunction in response to cytochrome c phosphorylation at tyrosine 48. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7QK0
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![BU of 7qk0 by Molmil](/molmil-images/mine/7qk0) | Crystal structure of human BCL6 BTB domain in complex with compound 12a | 分子名称: | (2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, ... | 著者 | Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M. | 登録日 | 2021-12-17 | 公開日 | 2022-06-15 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Improved Binding Affinity and Pharmacokinetics Enable Sustained Degradation of BCL6 In Vivo . J.Med.Chem., 65, 2022
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7QU7
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![BU of 7qu7 by Molmil](/molmil-images/mine/7qu7) | ATAD2 in complex with FragLite16 | 分子名称: | 1,2-ETHANEDIOL, 4-bromanyl-1,8-naphthyridine, ATPase family AAA domain-containing protein 2, ... | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-01-17 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7QWO
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![BU of 7qwo by Molmil](/molmil-images/mine/7qwo) | ATAD2 in complex with FragLite6 | 分子名称: | 1,2-ETHANEDIOL, 4-bromanyl-1~{H}-pyridin-2-one, ATPase family AAA domain-containing protein 2, ... | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-01-25 | 公開日 | 2022-11-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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