4H58
 
 | | BRAF in complex with compound 3 | | 分子名称: | CHLORIDE ION, N-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine, Serine/threonine-protein kinase B-raf | | 著者 | Vasbinder, M, Aquila, B, Augustin, M, Chueng, T, Cook, D, Drew, L, Fauber, B, Glossop, S, Godin, R, Grondine, M, Hennessy, E, Johannes, J, Lee, S, Lyne, P, Moertl, M, Omer, C, Palakurthi, S, Pontz, T, Read, J, Sha, L, Shen, M, Steinbacher, S, Wang, H, Wu, A, Ye, M, Bagal, B. | | 登録日 | 2012-09-18 | | 公開日 | 2013-02-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Discovery and Optimization of a Novel Series of Potent Mutant B-Raf(V600E) Selective Kinase Inhibitors.
J.Med.Chem., 56, 2013
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8AJZ
 | | Serial femtosecond crystallography structure of CO bound ba3- type cytochrome c oxidase at 2 milliseconds after irradiation by a 532 nm laser | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ... | | 著者 | Safari, C, Ghosh, S, Andersson, R, Johannesson, J, Donoso, A.V, Bath, P, Bosman, R, Dahl, P, Nango, E, Tanaka, R, Zoric, D, Svensson, E, Nakane, T, Iwata, S, Neutze, R, Branden, G. | | 登録日 | 2022-07-29 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Time-resolved serial crystallography to track the dynamics of carbon monoxide in the active site of cytochrome c oxidase.
Sci Adv, 9, 2023
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8K6Y
 | | Serial femtosecond crystallography structure of photo dissociated CO from ba3- type cytochrome c oxidase determined by extrapolation method | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ... | | 著者 | Safari, C, Ghosh, S, Andersson, R, Johannesson, J, Donoso, A.V, Zoric, D, Sandelin, E, Iwata, S, Neutze, R, Branden, G. | | 登録日 | 2023-07-25 | | 公開日 | 2023-11-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Time-resolved serial crystallography to track the dynamics of carbon monoxide in the active site of cytochrome c oxidase.
Sci Adv, 9, 2023
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8K65
 | | Serial femtosecond crystallography structure of CO bound ba3- type cytochrome c oxidase without pump laser irradiation | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ... | | 著者 | Safari, C, Ghosh, S, Andersson, R, Johannesson, J, Donoso, A.V, Bath, P, Zoric, D, Sandelin, E, Nango, E, Tanaka, R, Iwata, S, Neutze, R, Branden, G. | | 登録日 | 2023-07-25 | | 公開日 | 2023-11-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Time-resolved serial crystallography to track the dynamics of carbon monoxide in the active site of cytochrome c oxidase.
Sci Adv, 9, 2023
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8HUA
 | | Serial synchrotron crystallography structure of ba3-type cytochrome c oxidase from Thermus thermophilus using a goniometer compatible flow-cell | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ... | | 著者 | Ghosh, S, Zoric, D, Bjelcic, M, Johannesson, J, Sandelin, E, Branden, G, Neutze, R. | | 登録日 | 2022-12-22 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-04-26 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | A simple goniometer-compatible flow cell for serial synchrotron X-ray crystallography.
J.Appl.Crystallogr., 56, 2023
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4W5S
 | | Tankyrase in complex with compound | | 分子名称: | 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one, GLYCEROL, Tankyrase-1, ... | | 著者 | Johannes, J, Kazmirski, S.L, Boriack-Sjodin, P.A, Howard, T. | | 登録日 | 2014-08-18 | | 公開日 | 2015-05-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
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4W6E
 | | Human Tankyrase 1 with small molecule inhibitor | | 分子名称: | 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one, Tankyrase-1, ZINC ION | | 著者 | Kazmirski, S.L, Johannes, J, Boriack-Sjodin, P.A, Howard, T. | | 登録日 | 2014-08-20 | | 公開日 | 2015-05-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
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5ECE
 | | Tankyrase 1 with Phthalazinone 1 | | 分子名称: | 1,2-ETHANEDIOL, 2-[4-[3-[(4-oxidanylidene-3~{H}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, ACETATE ION, ... | | 著者 | Kazmirski, S.L, Johannes, J, Read, J.A, Howard, T, Larsen, N.A, Ferguson, A.D. | | 登録日 | 2015-10-20 | | 公開日 | 2015-11-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering.
Bioorg.Med.Chem.Lett., 25, 2015
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5EBT
 | | Tankyrase 1 with Phthalazinone 2 | | 分子名称: | (R,R)-2,3-BUTANEDIOL, 4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one, Tankyrase-1, ... | | 著者 | Kazmirski, S.L, Johannes, J. | | 登録日 | 2015-10-19 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering.
Bioorg.Med.Chem.Lett., 25, 2015
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3ULI
 | | Human Cyclin Dependent Kinase 2 (CDK2) bound to azabenzimidazole derivative | | 分子名称: | 1-(aminomethyl)-N-(3-{[6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide, Cyclin-dependent kinase 2 | | 著者 | Larsen, N.A, Tucker, J.A, Wang, T. | | 登録日 | 2011-11-10 | | 公開日 | 2013-08-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of azabenzimidazole derivatives as potent, selective inhibitors of TBK1/IKK epsilon kinases.
Bioorg.Med.Chem.Lett., 22, 2012
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4BB4
 | | ephB4 kinase domain inhibitor complex | | 分子名称: | EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide | | 著者 | Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L. | | 登録日 | 2012-09-19 | | 公開日 | 2013-02-27 | | 最終更新日 | 2019-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Discovery and Optimization of a Novel Series of Potent Mutant B-Raf V600E Selective Kinase Inhibitors.
J.Med.Chem., 56, 2013
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6ZFM
 | | Structure of alpha-Cobratoxin with a peptide inhibitor | | 分子名称: | 3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol, Alpha-cobratoxin, PENTAETHYLENE GLYCOL, ... | | 著者 | Kiontke, S, Kummel, D. | | 登録日 | 2020-06-17 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Peptide Inhibitors of the alpha-Cobratoxin-Nicotinic Acetylcholine Receptor Interaction.
J.Med.Chem., 63, 2020
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