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PDB: 9 件
3P08
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BU of 3p08 by Molmil
Crystal structure of the human BTK kinase domain
分子名称: Tyrosine-protein kinase BTK
著者Yu, C.L, Hymowitz, S.G.
登録日2010-09-27
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A novel, specific BTK inhibitor antagonizes BCR and FcgR signaling and suppresses inflammatory arthritis
To be Published
2ANW
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BU of 2anw by Molmil
Expression, crystallization and three-dimensional structure of the catalytic domain of human plasma kallikrein: Implications for structure-based design of protease inhibitors
分子名称: BENZAMIDINE, plasma kallikrein, light chain
著者Tang, J, Yu, C.L, Williams, S.R, Springman, E, Jeffery, D, Sprengeler, P.A, Estevez, A, Sampang, J, Shrader, W, Spencer, J.R, Young, W.B, McGrath, M.E, Katz, B.A.
登録日2005-08-11
公開日2005-10-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Expression, crystallization, and three-dimensional structure of the catalytic domain of human plasma kallikrein.
J.Biol.Chem., 280, 2005
2ANY
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BU of 2any by Molmil
Expression, Crystallization and the Three-dimensional Structure of the Catalytic Domain of Human Plasma Kallikrein: Implications for Structure-Based Design of Protease Inhibitors
分子名称: BENZAMIDINE, PHOSPHATE ION, plasma kallikrein, ...
著者Tang, J, Yu, C.L, Williams, S.R, Springman, E, Jeffery, D, Sprengeler, P.A, Estevez, A, Sampang, J, Shrader, W, Spencer, J.R, Young, W.B, McGrath, M.E, Katz, B.A.
登録日2005-08-11
公開日2005-10-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Expression, crystallization, and three-dimensional structure of the catalytic domain of human plasma kallikrein.
J.Biol.Chem., 280, 2005
5F6Z
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BU of 5f6z by Molmil
Sandercyanin Fluorescent Protein purified from Sander vitreus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, Sandercyanin Fluorescent Protein
著者Ghosh, S, Yu, C.L, Ferraro, D, Sudha, S, Pal, S, Schaefer, W, Gibson, D.T, Subramanian, R.
登録日2015-12-07
公開日2016-09-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.248 Å)
主引用文献Blue protein with red fluorescence
Proc.Natl.Acad.Sci.USA, 113, 2016
6BKW
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BU of 6bkw by Molmil
BTK complex with compound 12
分子名称: GLYCEROL, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, ...
著者Kiefer, J.R, Eigenbrot, C, Yu, C.L.
登録日2017-11-09
公開日2018-11-07
最終更新日2019-03-27
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
6BIK
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BU of 6bik by Molmil
BTK complex with compound 7
分子名称: 4-tert-butyl-N-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzamide, GLYCEROL, SULFATE ION, ...
著者Kiefer, J.R, Eigenbrot, C, Yu, C.L.
登録日2017-11-02
公開日2018-11-07
最終更新日2019-03-27
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
6BKH
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BU of 6bkh by Molmil
BTK complex with compound 11
分子名称: N-[2-(hydroxymethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK
著者Kiefer, J.R, Eigenbrot, C, Yu, C.L.
登録日2017-11-08
公開日2018-11-07
最終更新日2019-03-27
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
6BKE
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BU of 6bke by Molmil
BTK complex with compound 10
分子名称: N-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK
著者Kiefer, J.R, Eigenbrot, C, Yu, C.L, Wang, G.X.
登録日2017-11-08
公開日2018-11-07
最終更新日2019-03-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
6BLN
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BU of 6bln by Molmil
BTK complex with compound 13
分子名称: GLYCEROL, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, ...
著者Kiefer, J.R, Eigenbrot, C, Yu, C.L.
登録日2017-11-10
公開日2018-11-07
最終更新日2019-03-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019

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件を2024-05-08に公開中

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