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
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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
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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
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3QVC
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5OUA
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3QL2
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3QM8
 | | Blackfin tuna cyanomet-myoglobin, atomic resolution | | 分子名称: | 1,2-ETHANEDIOL, CYANIDE ION, Myoglobin, ... | | 著者 | de Serrano, V.S, Rodriguez, M.M, Schreiter, E.R. | | 登録日 | 2011-02-03 | | 公開日 | 2012-02-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (0.91 Å) | | 主引用文献 | High Resolution Structures of Blackfin Tuna Myoglobin
To be Published
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7VM4
 | | Crystal structure of uPA in complex with nafamostat | | 分子名称: | 4-carbamimidamidobenzoic acid, TRIETHYLENE GLYCOL, Urokinase-type plasminogen activator | | 著者 | Jiang, L.G, Huang, M.D. | | 登録日 | 2021-10-07 | | 公開日 | 2022-10-12 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Structural study of the uPA-nafamostat complex reveals a covalent inhibitory mechanism of nafamostat.
Biophys.J., 121, 2022
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3QMP
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7VTO
 | | The crystal structure of PAK1 with the inhibitor GW8510 | | 分子名称: | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE, Serine/threonine-protein kinase PAK 1 | | 著者 | Zhu, S.J. | | 登録日 | 2021-10-30 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | The crystal structure of PAK1 with the inhibitor GW8510
To Be Published
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3QMA
 | | Blackfin tuna myoglobin imidazole complex, atomic resolution | | 分子名称: | 1,2-ETHANEDIOL, IMIDAZOLE, Myoglobin, ... | | 著者 | de Serrano, V.S, Rodriguez, M.M, Schreiter, E.R. | | 登録日 | 2011-02-03 | | 公開日 | 2012-02-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (0.94 Å) | | 主引用文献 | High Resolution Structures of Blackfin Tuna Myoglobin
To be Published
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7VM5
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7VSJ
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7VUC
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3QSK
 | | 5 Histidine Variant of the anti-RNase A VHH in Complex with RNAse A | | 分子名称: | Engineered 5 Histidine anti-RNase A Camelid VHH Antibody Domain Variant, Ribonuclease pancreatic | | 著者 | Murtaugh, M.L, Fanning, S.W, Sharma, T.M, Terry, A.M, Horn, J.R. | | 登録日 | 2011-02-21 | | 公開日 | 2011-08-10 | | 最終更新日 | 2011-11-30 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | A combinatorial histidine scanning library approach to engineer highly pH-dependent protein switches.
Protein Sci., 20, 2011
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7VM6
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5OMH
 | | p38alpha in complex with pyrazolobenzothiazine inhibitor COXH11 | | 分子名称: | 1-(3-chlorophenyl)-3-methyl-4~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide, Mitogen-activated protein kinase 14 | | 著者 | Buehrmann, M, Rauh, D. | | 登録日 | 2017-07-31 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Co-crystal structure determination and cellular evaluation of 1,4-dihydropyrazolo[4,3-c] [1,2] benzothiazine 5,5-dioxide p38 alpha MAPK inhibitors.
Biochem.Biophys.Res.Commun., 511, 2019
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5OPB
 | | Structure of CHK1 10-pt. mutant complex with indazole LRRK2 inhibitor | | 分子名称: | (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | | 著者 | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | | 登録日 | 2017-08-09 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
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3QRS
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5OQ8
 | | Structure of CHK1 12-pt. mutant complex with arylbenzamide LRRK2 inhibitor | | 分子名称: | 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide, Serine/threonine-protein kinase Chk1 | | 著者 | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | | 登録日 | 2017-08-10 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
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7VE2
 | | Crystal Structure of Lopinavir bound Plasmepsin II (PMII) from Plasmodium falciparum | | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, Plasmepsin II | | 著者 | Mishra, V, Rathore, I, Bhaumik, P. | | 登録日 | 2021-09-07 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Inhibition of Plasmodium falciparum plasmepsins by drugs targeting HIV-1 protease: A way forward for antimalarial drug discovery.
Curr Res Struct Biol, 7, 2024
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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
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7VE0
 | | Crystal Structure of Ritonavir bound Plasmepsin II (PMII) from Plasmodium falciparum | | 分子名称: | 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ... | | 著者 | Mishra, V, Rathore, I, Bhaumik, P. | | 登録日 | 2021-09-07 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Inhibition of Plasmodium falciparum plasmepsins by drugs targeting HIV-1 protease: A way forward for antimalarial drug discovery.
Curr Res Struct Biol, 7, 2024
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3QVI
 | | Crystal structure of KNI-10395 bound histo-aspartic protease (HAP) from Plasmodium falciparum | | 分子名称: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ... | | 著者 | Bhaumik, P, Gustchina, A, Wlodawer, A. | | 登録日 | 2011-02-25 | | 公開日 | 2011-10-12 | | 最終更新日 | 2013-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural insights into the activation and inhibition of histo-aspartic protease from Plasmodium falciparum.
Biochemistry, 50, 2011
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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
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