6VS3
 
 | | JAK2 JH1 in complex with BL2-057 | | 分子名称: | (3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | | 著者 | Davis, R.R, Schonbrunn, E. | | 登録日 | 2020-02-10 | | 公開日 | 2021-02-17 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
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6VSN
 | | JAK2 JH1 in complex with BL2-110 | | 分子名称: | (3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | | 著者 | Davis, R.R, Schonbrunn, E. | | 登録日 | 2020-02-11 | | 公開日 | 2021-02-17 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
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6Q09
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6PTG
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6WJ6
 | | Cryo-EM structure of apo-Photosystem II from Synechocystis sp. PCC 6803 | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Gisriel, C.J. | | 登録日 | 2020-04-12 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (2.58 Å) | | 主引用文献 | Cryo-EM Structure of Monomeric Photosystem II from Synechocystis sp. PCC 6803 Lacking the Water-Oxidation Complex
Joule, 2020
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6VWE
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4AFE
 | | Nek2 bound to hybrid compound 21 | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{[(1R,2Z)-4,4,4-TRIFLUORO-1-METHYLBUT-2-EN-1-YL]OXY}BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE NEK2 | | 著者 | Yeoh, S, Innocenti, P, Hoelder, S, Bayliss, R. | | 登録日 | 2012-01-19 | | 公開日 | 2012-04-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.597 Å) | | 主引用文献 | Design of Potent and Selective Hybrid Inhibitors of the Mitotic Kinase Nek2: Structure-Activity Relationship, Structural Biology, and Cellular Activity.
J.Med.Chem., 55, 2012
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4A4X
 | | NEK2-EDE bound to CCT248662 | | 分子名称: | 4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE NEK2 | | 著者 | Mas-Droux, C, Bayliss, R. | | 登録日 | 2011-10-20 | | 公開日 | 2012-04-25 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design of Potent and Selective Hybrid Inhibitors of the Mitotic Kinase Nek2: Structure-Activity Relationship, Structural Biology, and Cellular Activity.
J.Med.Chem., 55, 2012
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2IAY
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2ICH
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2IIZ
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2I40
 | | Cdk2/Cyclin A complexed with a thiophene carboxamide inhibitor | | 分子名称: | 5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE, Cell division protein kinase 2, Cyclin-A2 | | 著者 | Shewchuk, L.M. | | 登録日 | 2006-08-21 | | 公開日 | 2006-10-10 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | 5-(1H-Benzimidazol-1-yl)-3-alkoxy-2-thiophenecarbonitriles as potent, selective, inhibitors of IKK-epsilon kinase
Bioorg.Med.Chem.Lett., 16, 2006
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2H1T
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2HLE
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2GVK
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2HUJ
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2GVI
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2HAG
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6ECB
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2MF3
 | | SGTX-Sf1a | | 分子名称: | U2-segestritoxin-Sf1a | | 著者 | Mobli, M, Bende, N.S, King, G.F. | | 登録日 | 2013-10-04 | | 公開日 | 2014-10-15 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The insecticidal spider toxin SFI1 is a knottin peptide that blocks the pore of insect voltage-gated sodium channels via a large beta-hairpin loop.
Febs J., 282, 2015
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2N7I
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6NLR
 | | Crystal structure of the putative histidinol phosphatase hisK from Listeria monocytogenes with trinuclear metals determined by PIXE revealing sulphate ion in active site. Based on PIXE analysis and original date from 3DCP | | 分子名称: | CALCIUM ION, COBALT (II) ION, FE (III) ION, ... | | 著者 | Snell, E.H, Garman, E.F, Lowe, E.D. | | 登録日 | 2019-01-09 | | 公開日 | 2019-12-25 | | 最終更新日 | 2020-01-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | High-Throughput PIXE as an Essential Quantitative Assay for Accurate Metalloprotein Structural Analysis: Development and Application.
J.Am.Chem.Soc., 142, 2020
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6NUP
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6OE2
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6NDL
 | | Crystal structure of Staphylococcus aureus biotin protein ligase in complex with a sulfonamide inhibitor | | 分子名称: | 1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{S})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea, Biotin Protein Ligase, GLYCEROL | | 著者 | Marshall, A.C, Polyak, S.W, Bruning, J.B, Lee, K. | | 登録日 | 2018-12-13 | | 公開日 | 2019-12-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Sulfonamide-Based Inhibitors of Biotin Protein Ligase as New Antibiotic Leads.
Acs Chem.Biol., 14, 2019
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