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
Descriptor:plasma kallikrein, light chain, BENZAMIDINE
Authors: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.
Deposit date:2005-08-11
Release date:2005-10-11
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor:plasma kallikrein, light chain, PHOSPHATE ION, ...
Authors: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.
Deposit date:2005-08-11
Release date:2005-10-11
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor:Sandercyanin Fluorescent Protein, BILIVERDINE IX ALPHA, N-ACETYL-D-GLUCOSAMINE
Authors:Ghosh, S., Yu, C.L., Ferraro, D., Sudha, S., Pal, S., Schaefer, W., Gibson, D.T., Subramanian, R.
Deposit date:2015-12-07
Release date:2016-09-28
Last modified:2016-10-26
Method:X-RAY DIFFRACTION (2.248 Å)
Cite:Blue protein with red fluorescence
Proc.Natl.Acad.Sci.USA, 113, 2016
6BIK
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BTK COMPLEX WITH COMPOUND 7
Descriptor: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, ...
Authors:Kiefer, J.R., Eigenbrot, C., Yu, C.L.
Deposit date:2017-11-02
Release date:2018-11-07
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 2019
6BKE
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BTK COMPLEX WITH COMPOUND 10
Descriptor: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
Authors:Kiefer, J.R., Eigenbrot, C., Yu, C.L., Wang, G.X.
Deposit date:2017-11-08
Release date:2018-11-07
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 2019
6BKH
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BTK COMPLEX WITH COMPOUND 11
Descriptor: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
Authors:Kiefer, J.R., Eigenbrot, C., Yu, C.L.
Deposit date:2017-11-08
Release date:2018-11-07
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 2019
6BKW
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BTK COMPLEX WITH COMPOUND 12
Descriptor: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, ...
Authors:Kiefer, J.R., Eigenbrot, C., Yu, C.L.
Deposit date:2017-11-09
Release date:2018-11-07
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 2019
6BLN
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BTK COMPLEX WITH COMPOUND 13
Descriptor: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, ...
Authors:Kiefer, J.R., Eigenbrot, C., Yu, C.L.
Deposit date:2017-11-10
Release date:2018-11-07
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 2019
3P08
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CRYSTAL STRUCTURE OF THE HUMAN BTK KINASE DOMAIN
Descriptor:Tyrosine-protein kinase BTK
Authors:Yu, C.L., Hymowitz, S.G.
Deposit date:2010-09-27
Release date:2010-11-03
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor:OXYGENASE-ALPHA NBDO, OXYGENASE-BETA NBDO, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Friemann, R., Ivkovic-Jensen, M.M., Lessner, D.J., Yu, C., Gibson, D.T., Parales, R.E., Eklund, H., Ramaswamy, S.
Deposit date:2005-03-15
Release date:2005-05-04
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite: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
Descriptor:OXYGENASE-ALPHA NBDO, OXYGENASE-BETA NBDO, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Friemann, R., Ivkovic-Jensen, M.M., Lessner, D.J., Yu, C., Gibson, D.T., Parales, R.E., Eklund, H., Ramaswamy, S.
Deposit date:2005-03-15
Release date:2005-05-04
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor:OXYGENASE-ALPHA NBDO, OXYGENASE-BETA NBDO, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Friemann, R., Ivkovic-Jensen, M.M., Lessner, D.J., Yu, C., Gibson, D.T., Parales, R.E., Eklund, H., Ramaswamy, S.
Deposit date:2005-03-15
Release date:2005-05-04
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor:Biphenyl 2,3-Dioxygenase Alpha Subunit, Biphenyl 2,3-Dioxygenase Beta Subunit, FE (III) ION, ...
Authors:Ferraro, D.J., Brown, E.N., Yu, C., Parales, R.E., Gibson, D.T., Ramaswamy, S.
Deposit date:2006-03-12
Release date:2007-03-20
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor:Biphenyl 2,3-Dioxygenase Alpha Subunit, Biphenyl 2,3-Dioxygenase Beta Subunit, FE (III) ION, ...
Authors:Ferraro, D.J., Brown, E.N., Yu, C., Parales, R.E., Gibson, D.T., Ramaswamy, S.
Deposit date:2006-03-12
Release date:2007-03-20
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor:Ferredoxin component of dioxygenase, SULFATE ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Ramaswamy, S., Brown, E.N.
Deposit date:2006-08-30
Release date:2007-03-20
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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)
Descriptor:Sandercyanin Fluorescent Protein, BILIVERDINE IX ALPHA, 1,2-ETHANEDIOL
Authors:Ghosh, S., Ramaswamy, S.
Deposit date:2015-11-26
Release date:2016-09-28
Last modified:2016-10-26
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Blue protein with red fluorescence
Proc.Natl.Acad.Sci.USA, 113, 2016
5F1E
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APO PROTEIN OF SANDERCYANIN
Descriptor:Sandercyanin Fluorescent Protein
Authors:Ghosh, S., Ramaswamy, S.
Deposit date:2015-11-30
Release date:2016-09-28
Last modified:2016-10-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: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
Authors:Murray, J.M., Tang, Y.
Deposit date:2017-11-27
Release date:2018-11-14
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (1.031 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 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
Descriptor: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
Authors:Murray, J.M., Tang, Y.
Deposit date:2017-11-27
Release date:2019-02-20
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (2.136 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 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
Descriptor: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
Authors:Kuglstatter, A., Wong, A.
Deposit date:2017-10-11
Release date:2018-08-22
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J.Comput.Aided Mol.Des., 33, 2019