6ED7
 
 | | Crystal structure of 7,8-diaminopelargonic acid synthase bound to inhibitor MAC13772 | | 分子名称: | 2-[(2-nitrophenyl)sulfanyl]acetohydrazide, 7,8-diamino-pelargonic acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Brown, C.M, Zlitni, S, Chan, J, Brown, E.D, Junop, M.S. | | 登録日 | 2018-08-08 | | 公開日 | 2019-08-21 | | 最終更新日 | 2020-01-08 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Crystal structure of 7,8-diaminopelargonic acid synthase bound to inhibitor MAC13772
To Be Published
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8V2F
 | | Crystal structure of IRAK4 kinase domain with compound 9 | | 分子名称: | CHLORIDE ION, GLYCEROL, Interleukin-1 receptor-associated kinase 4, ... | | 著者 | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | | 登録日 | 2023-11-22 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 2024
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8V1O
 | | Crystal structure of IRAK4 kinase domain with compound 4 | | 分子名称: | CHLORIDE ION, GLYCEROL, Interleukin-1 receptor-associated kinase 4, ... | | 著者 | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | | 登録日 | 2023-11-21 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | | 主引用文献 | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 2024
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8V2L
 | | Crystal structure of IRAK4 kinase domain with compound 8 | | 分子名称: | 1,2-ETHANEDIOL, Interleukin-1 receptor-associated kinase 4, N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide | | 著者 | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | | 登録日 | 2023-11-22 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 2024
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3NCL
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7APE
 | | Crystal structure of LpqY from Mycobacterium thermoresistible in complex with trehalose | | 分子名称: | Lipoprotein (Sugar-binding) lpqY, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | | 著者 | Furze, C.M, Guy, C.M, Angula, J, Cameron, A.D, Fullam, E. | | 登録日 | 2020-10-16 | | 公開日 | 2021-04-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural basis of trehalose recognition by the mycobacterial LpqY-SugABC transporter.
J.Biol.Chem., 296, 2021
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6BCG
 | | I-LtrI A28G bound to cognate substrate (pre-cleavage complex) | | 分子名称: | CALCIUM ION, DNA (26-MER), Ribosomal protein 3/homing endonuclease-like fusion protein | | 著者 | Brown, C, Zhang, K, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M. | | 登録日 | 2017-10-20 | | 公開日 | 2018-10-24 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Active site residue identity regulates cleavage preference of LAGLIDADG homing endonucleases.
Nucleic Acids Res., 46, 2018
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6BCF
 | | I-LtrI G183A bound to cognate substrate (pre-cleavage complex) | | 分子名称: | CALCIUM ION, DNA (26-MER), Ribosomal protein 3/homing endonuclease-like fusion protein | | 著者 | Brown, C, Zhang, K, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M. | | 登録日 | 2017-10-20 | | 公開日 | 2018-10-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | | 主引用文献 | Active site residue identity regulates cleavage preference of LAGLIDADG homing endonucleases.
Nucleic Acids Res., 46, 2018
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6BCT
 | | I-LtrI E184D bound to non-cognate C4 substrate (pre-cleavage complex) | | 分子名称: | CALCIUM ION, DNA (26-MER), DNA (27-MER), ... | | 著者 | Brown, C, Zhang, K, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M. | | 登録日 | 2017-10-20 | | 公開日 | 2018-10-24 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Active site residue identity regulates cleavage preference of LAGLIDADG homing endonucleases.
Nucleic Acids Res., 46, 2018
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6BCI
 | | Wild-type I-LtrI bound to non-cognate C4 substrate (pre-cleavage complex) | | 分子名称: | CALCIUM ION, DNA (27-MER), Ribosomal protein 3/homing endonuclease-like fusion protein | | 著者 | Brown, C, Zhang, K, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M. | | 登録日 | 2017-10-20 | | 公開日 | 2018-10-24 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Active site residue identity regulates cleavage preference of LAGLIDADG homing endonucleases.
Nucleic Acids Res., 46, 2018
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6BCE
 | | Wild-type I-LtrI bound to cognate substrate (pre-cleavage complex) | | 分子名称: | CALCIUM ION, DNA (27-MER), Ribosomal protein 3/homing endonuclease-like fusion protein | | 著者 | Brown, C, Zhang, K, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M. | | 登録日 | 2017-10-20 | | 公開日 | 2018-10-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Active site residue identity regulates cleavage preference of LAGLIDADG homing endonucleases.
Nucleic Acids Res., 46, 2018
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6BCN
 | | I-LtrI E184D bound to cognate substrate (pre-cleavage complex) | | 分子名称: | CALCIUM ION, DNA (26-MER), Ribosomal protein 3/homing endonuclease-like fusion protein | | 著者 | Brown, C, Zhang, K, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M. | | 登録日 | 2017-10-20 | | 公開日 | 2018-10-24 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Active site residue identity regulates cleavage preference of LAGLIDADG homing endonucleases.
Nucleic Acids Res., 46, 2018
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8TJ3
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7K1Q
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6VAJ
 | | Crystal Structure Analysis of human PIN1 | | 分子名称: | 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ... | | 著者 | Seo, H.-S, Dhe-Paganon, S. | | 登録日 | 2019-12-17 | | 公開日 | 2020-12-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Sulfopin is a covalent inhibitor of Pin1 that blocks Myc-driven tumors in vivo.
Nat.Chem.Biol., 17, 2021
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6OSP
 | | Crystal Structure Analysis of PIP4K2A | | 分子名称: | 4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}-N-(3-{[6-(1H-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide, GLYCEROL, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | | 著者 | Seo, H.-S, Dhe-Paganon, S. | | 登録日 | 2019-05-01 | | 公開日 | 2020-04-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Targeting the PI5P4K Lipid Kinase Family in Cancer Using Covalent Inhibitors.
Cell Chem Biol, 27, 2020
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6ATE
 | | SRC kinase bound to covalent inhibitor | | 分子名称: | N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, Proto-oncogene tyrosine-protein kinase Src | | 著者 | Gurbani, D, Westover, K.D. | | 登録日 | 2017-08-28 | | 公開日 | 2019-02-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.402 Å) | | 主引用文献 | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Cell Chem Biol, 26, 2019
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6G54
 | | Crystal structure of ERK2 covalently bound to SM1-71 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 1, ... | | 著者 | Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-03-29 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Cell Chem Biol, 26, 2019
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6GES
 | | Crystal structure of ERK1 covalently bound to SM1-71 | | 分子名称: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 3, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, ... | | 著者 | Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-04-27 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Cell Chem Biol, 26, 2019
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