PDB: 238582 件ウェブページステータス検索Chemie searchBIRD

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5OTI	The crystal structure of CK2alpha in complex with compound 27 分子名称: ACETATE ION, Casein kinase II subunit alpha, ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{H}-benzimidazol-2-yl)ethanamine 著者 Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. 登録日 2017-08-22 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
5OTS	The crystal structure of CK2alpha in complex with an analogue of compound 22 分子名称: 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium, Casein kinase II subunit alpha 著者 Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. 登録日 2017-08-22 公開日 2018-09-05 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
5OTY	The crystal structure of CK2alpha in complex with CAM4712 分子名称: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha, ... 著者 Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. 登録日 2017-08-22 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
6C0L	Crystal structure of HIV-1 E138K mutant reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 分子名称: 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, MAGNESIUM ION, ... 著者 Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. 登録日 2018-01-01 公開日 2018-08-01 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
6C0J	Crystal structure of HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 分子名称: 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, MAGNESIUM ION, ... 著者 Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. 登録日 2018-01-01 公開日 2018-08-01 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
5OT5	The crystal structure of CK2alpha in complex with compound 24 分子名称: ACETATE ION, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, ... 著者 Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. 登録日 2017-08-21 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
5OTD	The crystal structure of CK2alpha in complex with compound 25 分子名称: ACETATE ION, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, ... 著者 Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. 登録日 2017-08-21 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
5OTQ	The crystal structure of CK2alpha in complex with compound 33 分子名称: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha 著者 Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. 登録日 2017-08-22 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
5OTZ	The crystal structure of CK2alpha in complex with compound 1 分子名称: ACETATE ION, Casein kinase II subunit alpha, [3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine, ... 著者 Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. 登録日 2017-08-22 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
8EQM	Structure of a dimeric photosystem II complex acclimated to far-red light 分子名称: (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... 著者 Gisriel, C.J, Shen, G, Flesher, D.A, Kurashov, V, Golbeck, J.H, Brudvig, G.W, Amin, M, Bryant, D.A. 登録日 2022-10-08 公開日 2022-12-28 最終更新日 2024-12-25 実験手法 ELECTRON MICROSCOPY (2.6 Å) 主引用文献 Structure of a dimeric photosystem II complex from a cyanobacterium acclimated to far-red light. J.Biol.Chem., 299, 2022
6DUH	Crystal structure of HIV-1 reverse transcriptase Y181I mutant in complex with non-nucleoside inhibitor 25a 分子名称: 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... 著者 Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. 登録日 2018-06-20 公開日 2018-08-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.003 Å) 主引用文献 Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
5EH0	Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach 分子名称: DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, N2-(2-Methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine 著者 Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. 登録日 2015-10-27 公開日 2016-04-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
6DUF	Crystal structure of HIV-1 reverse transcriptase V106A/F227L mutant in complex with non-nucleoside inhibitor 25a 分子名称: 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... 著者 Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. 登録日 2018-06-20 公開日 2018-08-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.963 Å) 主引用文献 Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
5ORK	The crystal structure of CK2alpha in complex with compound 6 分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Casein kinase II subunit alpha, ... 著者 Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. 登録日 2017-08-16 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.143 Å) 主引用文献 Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
5OSP	The crystal structure of CK2alpha in complex with an analogue of compound 1 分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ... 著者 Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. 登録日 2017-08-18 公開日 2018-09-05 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
5EI2	Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach 分子名称: Dual specificity protein kinase TTK, ~{N}-(2,4-dimethoxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine 著者 Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. 登録日 2015-10-29 公開日 2016-04-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.67 Å) 主引用文献 Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
5OSL	The crystal structure of CK2alpha in complex with compound 7 分子名称: 2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... 著者 Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. 登録日 2017-08-17 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
5OSR	The crystal structure of CK2alpha in complex with an analogue of compound 1 分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ... 著者 Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. 登録日 2017-08-18 公開日 2018-09-05 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
5OSU	The crystal structure of CK2alpha in complex with analogues of compound 1 分子名称: ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine 著者 Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. 登録日 2017-08-18 公開日 2018-09-05 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
5OUU	The crystal structure of CK2alpha in complex with compound 22 分子名称: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha, ... 著者 Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. 登録日 2017-08-25 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
6QPH	Dunaliella minimal PSI complex 分子名称: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... 著者 Klaiman, D, Caspy, I, Nelson, N. 登録日 2019-02-14 公開日 2020-02-12 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (3.4 Å) 主引用文献 Structure of a minimal photosystem I from the green alga Dunaliella salina. Nat.Plants, 6, 2020
5M4C	Complex structure of human protein kinase CK2 catalytic subunit with a thieno[2,3-d]pyrimidin inhibitor crystallized under low-salt conditions 分子名称: 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid, CHLORIDE ION, Casein kinase II subunit alpha, ... 著者 Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O. 登録日 2016-10-18 公開日 2017-01-18 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.935 Å) 主引用文献 Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor. Pharmaceuticals, 10, 2017
5OTH	The crystal structure of CK2alpha in complex with compound 26 分子名称: ACETATE ION, Casein kinase II subunit alpha, DIMETHYL SULFOXIDE, ... 著者 Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. 登録日 2017-08-22 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
5OTR	The crystal structure of CK2alpha in complex with compound 14 分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ... 著者 Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. 登録日 2017-08-22 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
5OTO	The crystal structure of CK2alpha in complex with compound 30 分子名称: 2-(5-chloranyl-1~{H}-benzimidazol-2-yl)-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha, ... 著者 Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. 登録日 2017-08-22 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018

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