Author results

3UE4
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STRUCTURAL AND SPECTROSCOPIC ANALYSIS OF THE KINASE INHIBITOR BOSUTINIB BINDING TO THE ABL TYROSINE KINASE DOMAIN
Descriptor:Tyrosine-protein kinase ABL1, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
Authors:Boxer, S.G., Levinson, N.M.
Deposit date:2011-10-28
Release date:2012-04-18
Last modified:2012-04-25
Method:X-RAY DIFFRACTION (2.424 Å)
Cite:Structural and spectroscopic analysis of the kinase inhibitor bosutinib and an isomer of bosutinib binding to the abl tyrosine kinase domain.
Plos One, 7, 2012
1JBY
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CRYSTAL STRUCTURE ANALYSIS OF A DUAL-WAVELENGTH EMISSION GREEN FLUORESCENT PROTEIN VARIANT AT LOW PH
Descriptor:GREEN FLUORESCENT PROTEIN
Authors:Hanson, G.T., McAnaney, T.B., Park, E.S., Rendell, M.E.P., Yarbrough, D.K., Chu, S., Xi, L., Boxer, S.G., Montrose, M.H., Remington, S.J.
Deposit date:2001-06-07
Release date:2003-01-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Green Fluorescent Protein Variants as Ratiometric Dual Emission pH Sensors. 1. Structural Characterization and Preliminary Application.
Biochemistry, 41, 2002
1JBZ
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CRYSTAL STRUCTURE ANALYSIS OF A DUAL-WAVELENGTH EMISSION GREEN FLUORESCENT PROTEIN VARIANT AT HIGH PH
Descriptor:GREEN FLUORESCENT PROTEIN, MAGNESIUM ION, 1,2-ETHANEDIOL
Authors:Hanson, G.T., McAnaney, T.B., Park, E.S., Rendell, M.E.P., Yarbrough, D.K., Chu, S., Xi, L., Boxer, S.G., Montrose, M.H., Remington, S.J.
Deposit date:2001-06-07
Release date:2003-01-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Green Fluorescent Protein Variants as Ratiometric Dual Emission pH Sensors. 1. Structural Characterization and Preliminary Application.
Biochemistry, 41, 2002
3OQY
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SEMI-SYNTHETIC RIBONUCLEASE S: PARA-CYANO-PHENYLALANINE AT POSITION 8
Descriptor:Ribonuclease pancreatic
Authors:Fafarman, A.T., Boxer, S.G.
Deposit date:2010-09-04
Release date:2010-10-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.494 Å)
Cite:Nitrile bonds as infrared probes of electrostatics in ribonuclease S.
J.Phys.Chem.B, 114, 2010
3OQZ
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SEMI-SYNTHETIC RIBONUCLEASE S: META-CYANO-PHENYLALANINE AT POSITION 8
Descriptor:Ribonuclease pancreatic
Authors:Fafarman, A.T., Boxer, S.G.
Deposit date:2010-09-04
Release date:2010-10-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Nitrile bonds as infrared probes of electrostatics in ribonuclease S.
J.Phys.Chem.B, 114, 2010
3OR0
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SEMI-SYNTHETIC RIBONUCLEASE S: CYANYLATED HOMOCYSTEINE AT POSITION 13
Descriptor:Ribonuclease pancreatic
Authors:Fafarman, A.T., Boxer, S.G.
Deposit date:2010-09-05
Release date:2010-10-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Nitrile bonds as infrared probes of electrostatics in ribonuclease S.
J.Phys.Chem.B, 114, 2010
3T42
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HUMAN ALDOSE REDUCTASE IN COMPLEX WITH A NITRILE-CONTAINING IDD INHIBITOR
Descriptor:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(4-cyano-3-nitrobenzyl)carbamoyl]phenoxy}acetic acid, ...
Authors:Xu, L., Cohen, A.E., Boxer, S.G.
Deposit date:2011-07-25
Release date:2011-10-05
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Electrostatic Fields near the Active Site of Human Aldose Reductase: 2. New Inhibitors and Complications Caused by Hydrogen Bonds.
Biochemistry, 50, 2011
4MXO
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HUMAN SRC KINASE BOUND TO KINASE INHIBITOR BOSUTINIB
Descriptor:Proto-oncogene tyrosine-protein kinase Src, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
Authors:Levinson, N.M., Boxer, S.G.
Deposit date:2013-09-26
Release date:2013-12-04
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:A conserved water-mediated hydrogen bond network defines bosutinib's kinase selectivity.
Nat.Chem.Biol., 10, 2014
4MXX
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HUMAN SRC A403T MUTANT BOUND TO KINASE INHIBITOR BOSUTINIB
Descriptor:Proto-oncogene tyrosine-protein kinase Src, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
Authors:Levinson, N.M., Boxer, S.G.
Deposit date:2013-09-26
Release date:2013-12-04
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A conserved water-mediated hydrogen bond network defines bosutinib's kinase selectivity.
Nat.Chem.Biol., 10, 2014
4MXY
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SRC M314L T338M DOUBLE MUTANT BOUND TO KINASE INHIBITOR BOSUTINIB
Descriptor:Proto-oncogene tyrosine-protein kinase Src, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
Authors:Levinson, N.M., Boxer, S.G.
Deposit date:2013-09-26
Release date:2013-12-25
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (2.582 Å)
Cite:A conserved water-mediated hydrogen bond network defines bosutinib's kinase selectivity.
Nat.Chem.Biol., 10, 2014
4MXZ
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SRC M314L T338M DOUBLE MUTANT BOUND TO KINASE INHIBITOR BOSUTINIB
Descriptor:Proto-oncogene tyrosine-protein kinase Src, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
Authors:Levinson, N.M., Boxer, S.G.
Deposit date:2013-09-26
Release date:2013-12-04
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (2.582 Å)
Cite:A conserved water-mediated hydrogen bond network defines bosutinib's kinase selectivity.
Nat.Chem.Biol., 10, 2014
4ZF3
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CRYSTAL STRUCTURE OF GREEN FLUORESCENT PROTEIN (GFP); S65T, H148D; CIRCULAR PERMUTANT ( 50-51)
Descriptor:Green fluorescent protein
Authors:Oltrogge, L.M., Boxer, S.G.
Deposit date:2015-04-21
Release date:2015-06-10
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Short Hydrogen Bonds and Proton Delocalization in Green Fluorescent Protein (GFP).
Acs Cent.Sci., 1, 2015
4ZF4
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CRYSTAL STRUCTURE OF GREEN FLUORESCENT PROTEIN (GFP); S65T, Y66(CL1Y), H148D; CIRCULAR PERMUTANT (50-51)
Descriptor:Green fluorescent protein
Authors:Oltrogge, L.M., Boxer, S.G.
Deposit date:2015-04-21
Release date:2015-06-10
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.823 Å)
Cite:Short Hydrogen Bonds and Proton Delocalization in Green Fluorescent Protein (GFP).
Acs Cent.Sci., 1, 2015
4ZF5
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CRYSTAL STRUCTURE OF GREEN FLUORESCENT PROTEIN (GFP); S65T, Y66(CL2Y), H148D; CIRCULAR PERMUTANT ( 50-51)
Descriptor:Green fluorescent protein
Authors:Oltrogge, L.M., Boxer, S.G.
Deposit date:2015-04-21
Release date:2015-06-10
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Short Hydrogen Bonds and Proton Delocalization in Green Fluorescent Protein (GFP).
Acs Cent.Sci., 1, 2015
5D81
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CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA (PKSI); D40N, Y57(CL-Y)
Descriptor:Delta(5)-3-ketosteroid isomerase, SULFATE ION
Authors:Wu, Y., Fried, S.D., Boxer, S.G.
Deposit date:2015-08-15
Release date:2015-12-02
Last modified:2015-12-23
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Dissecting Proton Delocalization in an Enzyme's Hydrogen Bond Network with Unnatural Amino Acids.
Biochemistry, 54, 2015
5D82
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CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA (PKSI); D40N, Y16(CL-Y)
Descriptor:Delta(5)-3-ketosteroid isomerase
Authors:Wu, Y., Fried, S.D., Boxer, S.G.
Deposit date:2015-08-15
Release date:2015-12-02
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Dissecting Proton Delocalization in an Enzyme's Hydrogen Bond Network with Unnatural Amino Acids.
Biochemistry, 54, 2015
5D83
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CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA (PKSI); D40N, Y32(CL-Y)
Descriptor:Delta(5)-3-ketosteroid isomerase
Authors:Wu, Y., Fried, S.D., Boxer, S.G.
Deposit date:2015-08-15
Release date:2015-12-02
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dissecting Proton Delocalization in an Enzyme's Hydrogen Bond Network with Unnatural Amino Acids.
Biochemistry, 54, 2015
5KP1
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CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA (PKSI) BOUND TO EQUILENIN; D40N, Y16(CL-Y)
Descriptor:Steroid Delta-isomerase, EQUILENIN, SULFATE ION
Authors:Wu, Y., Boxer, S.G.
Deposit date:2016-07-01
Release date:2016-09-07
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.218 Å)
Cite:A Critical Test of the Electrostatic Contribution to Catalysis with Noncanonical Amino Acids in Ketosteroid Isomerase.
J.Am.Chem.Soc., 138, 2016
5KP3
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CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA (PKSI) BOUND TO EQUILENIN; D40N, Y57(CL-Y)
Descriptor:Steroid Delta-isomerase, EQUILENIN, SULFATE ION
Authors:Wu, Y., Boxer, S.G.
Deposit date:2016-07-01
Release date:2016-09-07
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Critical Test of the Electrostatic Contribution to Catalysis with Noncanonical Amino Acids in Ketosteroid Isomerase.
J.Am.Chem.Soc., 138, 2016
5KP4
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CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA (PKSI) BOUND TO 19-NORTESTOSTERONE
Descriptor:Steroid Delta-isomerase, (8~{R},9~{S},10~{R},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-one
Authors:Wu, Y., Boxer, S.G.
Deposit date:2016-07-01
Release date:2016-09-07
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.706 Å)
Cite:A Critical Test of the Electrostatic Contribution to Catalysis with Noncanonical Amino Acids in Ketosteroid Isomerase.
J.Am.Chem.Soc., 138, 2016
6B7R
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TRUNCATED STRAND 11-LESS GREEN FLUORESCENT PROTEIN
Descriptor:Green fluorescent protein, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID
Authors:Deng, A., Boxer, S.G.
Deposit date:2017-10-05
Release date:2017-12-27
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural Insight into the Photochemistry of Split Green Fluorescent Proteins: A Unique Role for a His-Tag.
J. Am. Chem. Soc., 140, 2018
6B7T
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TRUNCATED STRAND 10-LESS GREEN FLUORESCENT PROTEIN
Descriptor:Green fluorescent protein,Green fluorescent protein
Authors:Deng, A., Boxer, S.G.
Deposit date:2017-10-05
Release date:2017-12-27
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural Insight into the Photochemistry of Split Green Fluorescent Proteins: A Unique Role for a His-Tag.
J. Am. Chem. Soc., 140, 2018
3RGK
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CRYSTAL STRUCTURE OF HUMAN MYOGLOBIN MUTANT K45R
Descriptor:Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Hubbard, S.R.
Deposit date:2011-04-08
Release date:2011-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:X-ray crystal structure of a recombinant human myoglobin mutant at 2.8 A resolution
J.Mol.Biol., 20, 1990
1BFP
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BLUE VARIANT OF GREEN FLUORESCENT PROTEIN
Descriptor:BLUE FLUORESCENT PROTEIN
Authors:Wachter, R.M., Remington, S.J.
Deposit date:1997-04-09
Release date:1997-07-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure and photodynamic behavior of the blue emission variant Y66H/Y145F of green fluorescent protein.
Biochemistry, 36, 1997
2DUE
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CRYSTAL STRUCTURE OF A GREEN FLUORESCENT PROTEIN VARIANT S65T/H148D AT PH 10
Descriptor:Green fluorescent protein
Authors:Shu, X., Remington, S.J.
Deposit date:2006-07-23
Release date:2007-07-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Ultrafast excited-state dynamics in the green fluorescent protein variant S65T/H148D. 1. Mutagenesis and structural studies.
Biochemistry, 46, 2007
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