Author results

2ANW
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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
2ANY
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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
5F6Z
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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
6BIK
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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
6BKE
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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
6BKH
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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
6BKW
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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
6BLN
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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
3P08
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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2018-01-24
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
2BMO
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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
2BMQ
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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
2BMR
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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
2GBW
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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
2GBX
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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
2I7F
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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
5EZ2
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SANDERCYANIN FLUORESCENT PROTEIN (SFP)
分子名称:Sandercyanin Fluorescent Protein, BILIVERDINE IX ALPHA, 1,2-ETHANEDIOL
著者Ghosh, S., Ramaswamy, S.
登録日2015-11-26
公開日2016-09-28
最終更新日2016-10-26
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Blue protein with red fluorescence
Proc.Natl.Acad.Sci.USA, 113, 2016
5F1E
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APO PROTEIN OF SANDERCYANIN
分子名称:Sandercyanin Fluorescent Protein
著者Ghosh, S., Ramaswamy, S.
登録日2015-11-30
公開日2016-09-28
最終更新日2016-10-26
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Blue protein with red fluorescence
Proc.Natl.Acad.Sci.USA, 113, 2016
6BQA
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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
6BQD
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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
6EP9
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CRYSTAL STRUCTURE OF BTK KINASE DOMAIN COMPLEXED WITH N-[2-METHYL-3-[4-METHYL-6-[4-(4-METHYLPIPERAZINE-1-CARBONYL)ANILINO]-5-OXO-PYRAZIN-2-YL]PHENYL]-4-(1-PIPERIDYL)BENZAMIDE
分子名称:Tyrosine-protein kinase BTK, N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide
著者Kuglstatter, A., Wong, A.
登録日2017-10-11
公開日2018-08-22
最終更新日2019-03-20
実験手法X-RAY DIFFRACTION (2.01 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