6S75
 
 | | Crystal structure of Nek7 bound to compound 51 | | 分子名称: | 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide, Serine/threonine-protein kinase Nek7 | | 著者 | Nasir, N, Bayliss, R. | | 登録日 | 2019-07-04 | | 公開日 | 2020-06-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine.
Biochem.J., 477, 2020
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8U2M
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6RW3
 | | The molecular basis for sugar import in malaria parasites. | | 分子名称: | Hexose transporter 1, alpha-D-glucopyranose, beta-D-glucopyranose | | 著者 | Qureshi, A, Matsuoka, R, Brock, J, Drew, D. | | 登録日 | 2019-06-03 | | 公開日 | 2020-01-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.65 Å) | | 主引用文献 | The molecular basis for sugar import in malaria parasites.
Nature, 578, 2020
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8TRN
 | | Actin 1 from T. gondii in filaments bound to MgADP and jasplakinolide | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, Jasplakinolide, ... | | 著者 | Hvorecny, K.L, Sladewski, T.E, Heaslip, A.T, Kollman, J.M. | | 登録日 | 2023-08-09 | | 公開日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Toxoplasma gondii actin filaments are tuned for rapid disassembly and turnover.
Nat Commun, 15, 2024
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4XW2
 | | Structural basis for simvastatin competitive antagonism of complement receptor 3 | | 分子名称: | Integrin alpha-M, MAGNESIUM ION, Simvastatin acid | | 著者 | Bajic, G, Jensen, M.R, Vorup-Jensen, T, Andersen, G.R. | | 登録日 | 2015-01-28 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | | 主引用文献 | Structural Basis for Simvastatin Competitive Antagonism of Complement Receptor 3.
J.Biol.Chem., 291, 2016
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4XYY
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6RFF
 | | Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 7 | | 分子名称: | (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | | 著者 | Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. | | 登録日 | 2019-04-14 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A novel class of selective CK2 inhibitors targeting its open hinge conformation.
Eur.J.Med.Chem., 195, 2020
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6RFO
 | | ERK2 MAP kinase with the activation loop of p38alpha | | 分子名称: | Mitogen-activated protein kinase 1,Mitogen-activated protein kinase 14,Mitogen-activated protein kinase 1 | | 著者 | Livnah, O, Eitan-Wexler, M. | | 登録日 | 2019-04-15 | | 公開日 | 2020-05-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The bacterial metalloprotease NleD selectively cleaves mitogen-activated protein kinases that have high flexibility in their activation loop.
J.Biol.Chem., 295, 2020
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7R8U
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6EAX
 | | Crystallographic structure of the cyclic hexapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21 | | 分子名称: | CALCIUM ION, CYS-THR-LYS-SER-ILE-CYS, Cationic trypsin, ... | | 著者 | Fernandes, J.C, Valadares, N.F, Freitas, S.M, Barbosa, J.A.R.G. | | 登録日 | 2018-08-03 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.189 Å) | | 主引用文献 | Crystallographic structure of the cyclic hexapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21
To Be Published
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4Y38
 | | Endothiapepsin in complex with fragment B29 | | 分子名称: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | 著者 | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | 登録日 | 2015-02-10 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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4OBK
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6S34
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4Y0F
 | | Crystal Structure of Human TDP-43 RRM1 Domain in Complex with an Unmodified Single-stranded DNA | | 分子名称: | DNA (5'-D(*GP*TP*TP*GP*AP*GP*CP*GP*TP*T)-3'), TAR DNA-binding protein 43 | | 著者 | Chiang, C.H, Kuo, P.H, Doudeva, L.G, Wang, Y.T, Yuan, H.S. | | 登録日 | 2015-02-06 | | 公開日 | 2016-02-10 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.648 Å) | | 主引用文献 | Structural analysis of disease-related TDP-43 D169G mutation: linking enhanced stability and caspase cleavage efficiency to protein accumulation
Sci Rep, 6, 2016
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6EDF
 | | Fragment of a tyrosine-protein kinase | | 分子名称: | FYN, GLYCEROL, UNKNOWN ATOM OR ION | | 著者 | Tempel, W, Huang, H, Sochirca, I, Liu, K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Sidhu, S.S, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2018-08-09 | | 公開日 | 2018-08-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Fragment of a tyrosine-protein kinase
To be Published
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6E69
 | | Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments | | 分子名称: | 2-(fluorosulfonyl)benzene-1-sulfonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Wolan, D.W, Woehl, J.L, Kitamura, S. | | 登録日 | 2018-07-24 | | 公開日 | 2019-07-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5UEC
 | | Crystal Structure of CYP2B6 (Y226H/K262R) in complex with myrtenyl bromide. | | 分子名称: | (1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | 著者 | Shah, M.B, Halpert, J.R. | | 登録日 | 2016-12-30 | | 公開日 | 2017-04-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
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6EBR
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8U8J
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4XP0
 | | Crystal structure of ERK2 in complex with an inhibitor | | 分子名称: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | 著者 | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | 登録日 | 2015-01-16 | | 公開日 | 2015-08-12 | | 最終更新日 | 2017-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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4OJA
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6E6K
 | | Crystal structure of human cellular retinol-binding protein 4 in complex with abnormal-cannabidiol (abn-CBD) | | 分子名称: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinoid-binding protein 7 | | 著者 | Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. | | 登録日 | 2018-07-25 | | 公開日 | 2019-02-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
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6ED6
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4OJK
 | | Structure of the cGMP Dependent Protein Kinase II and Rab11b Complex | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-11B, cGMP-dependent protein kinase 2 | | 著者 | Reger, A.S, Yang, M.P, Guo, E, Kim, C. | | 登録日 | 2014-01-21 | | 公開日 | 2014-08-06 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.657 Å) | | 主引用文献 | Crystal Structure of the cGMP-dependent Protein Kinase II Leucine Zipper and Rab11b Protein Complex Reveals Molecular Details of G-kinase-specific Interactions.
J.Biol.Chem., 289, 2014
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5TX2
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