6BQA | BRD9 BROMODOMAIN IN COMPLEX WITH 3-(6-(BUT-3-EN-1-YL)-7-OXO-6,7-DIHYDRO-1H-PYRROLO[2,3-C]PYRIDIN-4-YL)-N,N-DIMETHYLBENZAMIDE | 分子名称: | Bromodomain-containing protein 9, 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide | 著者 | Murray, J.M., Tang, Y. | 登録日 | 2017-11-27 | 公開日 | 2018-11-14 | 最終更新日 | 2019-03-27 | 実験手法 | X-RAY DIFFRACTION (1.031 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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6BQD | TAF1-BD2 BROMODOMAIN IN COMPLEX WITH (E)-3-(6-(BUT-2-EN-1-YL)-7-OXO-6,7-DIHYDRO-1H-PYRROLO[2,3-C]PYRIDIN-4-YL)-N,N-DIMETHYLBENZAMIDE | 分子名称: | Transcription initiation factor TFIID subunit 1, 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide | 著者 | Murray, J.M., Tang, Y. | 登録日 | 2017-11-27 | 公開日 | 2019-02-20 | 最終更新日 | 2019-03-27 | 実験手法 | X-RAY DIFFRACTION (2.136 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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6BLN | BTK COMPLEX WITH COMPOUND 13 | 分子名称: | Tyrosine-protein kinase BTK, SULFATE ION, 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, ... | 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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6BKW | BTK COMPLEX WITH COMPOUND 12 | 分子名称: | Tyrosine-protein kinase BTK, SULFATE ION, 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, ... | 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
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6BKE | BTK COMPLEX WITH COMPOUND 10 | 分子名称: | Tyrosine-protein kinase BTK, SULFATE ION, 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 | 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
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6BKH | BTK COMPLEX WITH COMPOUND 11 | 分子名称: | Tyrosine-protein kinase BTK, SULFATE ION, 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 | 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
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6BIK | BTK COMPLEX WITH COMPOUND 7 | 分子名称: | Tyrosine-protein kinase BTK, SULFATE ION, 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, ... | 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
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6EP9 | |
5F6Z | SANDERCYANIN FLUORESCENT PROTEIN PURIFIED FROM SANDER VITREUS | 分子名称: | Sandercyanin Fluorescent Protein, BILIVERDINE IX ALPHA, N-ACETYL-D-GLUCOSAMINE | 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 | 2016-10-26 | 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
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5F1E | |
5EZ2 | |
3P08 | |
2I7F | SPHINGOMONAS YANOIKUYAE B1 FERREDOXIN | 分子名称: | Ferredoxin component of dioxygenase, SULFATE ION, FE2/S2 (INORGANIC) CLUSTER, ... | 著者 | Ramaswamy, S., Brown, E.N. | 登録日 | 2006-08-30 | 公開日 | 2007-03-20 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural investigations of the ferredoxin and terminal oxygenase components of the biphenyl 2,3-dioxygenase from Sphingobium yanoikuyae B1. Bmc Struct.Biol., 7, 2007
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2GBW | CRYSTAL STRUCTURE OF BIPHENYL 2,3-DIOXYGENASE FROM SPHINGOMONAS YANOIKUYAE B1 | 分子名称: | Biphenyl 2,3-Dioxygenase Alpha Subunit, Biphenyl 2,3-Dioxygenase Beta Subunit, FE (III) ION, ... | 著者 | Ferraro, D.J., Brown, E.N., Yu, C., Parales, R.E., Gibson, D.T., Ramaswamy, S. | 登録日 | 2006-03-12 | 公開日 | 2007-03-20 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural investigations of the ferredoxin and terminal oxygenase components of the biphenyl 2,3-dioxygenase from Sphingobium yanoikuyae B1. Bmc Struct.Biol., 7, 2007
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2GBX | CRYSTAL STRUCTURE OF BIPHENYL 2,3-DIOXYGENASE FROM SPHINGOMONAS YANOIKUYAE B1 BOUND TO BIPHENYL | 分子名称: | Biphenyl 2,3-Dioxygenase Alpha Subunit, Biphenyl 2,3-Dioxygenase Beta Subunit, FE (III) ION, ... | 著者 | Ferraro, D.J., Brown, E.N., Yu, C., Parales, R.E., Gibson, D.T., Ramaswamy, S. | 登録日 | 2006-03-12 | 公開日 | 2007-03-20 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural investigations of the ferredoxin and terminal oxygenase components of the biphenyl 2,3-dioxygenase from Sphingobium yanoikuyae B1. Bmc Struct.Biol., 7, 2007
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2ANW | 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: | plasma kallikrein, light chain, BENZAMIDINE | 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 | 2017-10-11 | 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
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2ANY | 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: | plasma kallikrein, light chain, PHOSPHATE ION, ... | 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 | 2017-10-11 | 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
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2BMO | THE CRYSTAL STRUCTURE OF NITROBENZENE DIOXYGENASE | 分子名称: | OXYGENASE-ALPHA NBDO, OXYGENASE-BETA NBDO, FE2/S2 (INORGANIC) CLUSTER, ... | 著者 | Friemann, R., Ivkovic-Jensen, M.M., Lessner, D.J., Yu, C., Gibson, D.T., Parales, R.E., Eklund, H., Ramaswamy, S. | 登録日 | 2005-03-15 | 公開日 | 2005-05-04 | 最終更新日 | 2018-02-28 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structural insight into the dioxygenation of nitroarene compounds: the crystal structure of nitrobenzene dioxygenase. J. Mol. Biol., 348, 2005
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2BMQ | THE CRYSTAL STRUCTURE OF NITROBENZENE DIOXYGENASE IN COMPLEX WITH NITROBENZENE | 分子名称: | OXYGENASE-ALPHA NBDO, OXYGENASE-BETA NBDO, FE2/S2 (INORGANIC) CLUSTER, ... | 著者 | Friemann, R., Ivkovic-Jensen, M.M., Lessner, D.J., Yu, C., Gibson, D.T., Parales, R.E., Eklund, H., Ramaswamy, S. | 登録日 | 2005-03-15 | 公開日 | 2005-05-04 | 最終更新日 | 2018-02-28 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural insight into the dioxygenation of nitroarene compounds: the crystal structure of nitrobenzene dioxygenase. J. Mol. Biol., 348, 2005
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2BMR | THE CRYSTAL STRUCTURE OF NITROBENZENE DIOXYGENASE IN COMPLEX WITH 3- NITROTOLUENE | 分子名称: | OXYGENASE-ALPHA NBDO, OXYGENASE-BETA NBDO, FE2/S2 (INORGANIC) CLUSTER, ... | 著者 | Friemann, R., Ivkovic-Jensen, M.M., Lessner, D.J., Yu, C., Gibson, D.T., Parales, R.E., Eklund, H., Ramaswamy, S. | 登録日 | 2005-03-15 | 公開日 | 2005-05-04 | 最終更新日 | 2018-02-28 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural insight into the dioxygenation of nitroarene compounds: the crystal structure of nitrobenzene dioxygenase. J. Mol. Biol., 348, 2005
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