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PDB: 106 件
3UE4
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Structural and spectroscopic analysis of the kinase inhibitor bosutinib binding to the Abl tyrosine kinase domain
分子名称: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Tyrosine-protein kinase ABL1
著者Boxer, S.G, Levinson, N.M.
登録日2011-10-28
公開日2012-04-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.424 Å)
主引用文献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
7MHA
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Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant; W252V mutant
分子名称: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
著者Boxer, S.G, Mathews, I.I, Weaver, J.B.
登録日2021-04-14
公開日2022-04-27
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Photosynthetic reaction center variants made via genetic code expansion indicate tyrosine at M210 tunes the mechanism for primary electron transfer
Thesis Ph.D. Stanford University, 2022
8UCX
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Dihydrofolate Reductase Complexed with Folate
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION
著者Fried, S.D.E, Boxer, S.G.
登録日2023-09-27
公開日2023-10-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Role of Electrostatics in Hydride Transfer by Dihydrofolate Reductase
To Be Published
7SJJ
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Crystal structure of photoactive yellow protein (PYP); F96oCNF construct
分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
著者Weaver, J.B, Kirsh, J.M, Boxer, S.G.
登録日2021-10-17
公開日2022-05-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Nitrile Infrared Intensities Characterize Electric Fields and Hydrogen Bonding in Protic, Aprotic, and Protein Environments.
J.Am.Chem.Soc., 144, 2022
1JBZ
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CRYSTAL STRUCTURE ANALYSIS OF A DUAL-WAVELENGTH EMISSION GREEN FLUORESCENT PROTEIN VARIANT AT HIGH PH
分子名称: 1,2-ETHANEDIOL, GREEN FLUORESCENT PROTEIN, MAGNESIUM ION
著者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.
登録日2001-06-07
公開日2003-01-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Green Fluorescent Protein Variants as Ratiometric Dual Emission pH Sensors. 1. Structural Characterization and Preliminary Application.
Biochemistry, 41, 2002
1JBY
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CRYSTAL STRUCTURE ANALYSIS OF A DUAL-WAVELENGTH EMISSION GREEN FLUORESCENT PROTEIN VARIANT AT LOW PH
分子名称: GREEN FLUORESCENT PROTEIN
著者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.
登録日2001-06-07
公開日2003-01-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Green Fluorescent Protein Variants as Ratiometric Dual Emission pH Sensors. 1. Structural Characterization and Preliminary Application.
Biochemistry, 41, 2002
6B7R
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Truncated strand 11-less green fluorescent protein
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Green fluorescent protein
著者Deng, A, Boxer, S.G.
登録日2017-10-05
公開日2017-12-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献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
分子名称: Green fluorescent protein,Green fluorescent protein
著者Deng, A, Boxer, S.G.
登録日2017-10-05
公開日2017-12-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural Insight into the Photochemistry of Split Green Fluorescent Proteins: A Unique Role for a His-Tag.
J. Am. Chem. Soc., 140, 2018
5D82
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Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI); D40N, Y16(Cl-Y)
分子名称: Delta(5)-3-ketosteroid isomerase
著者Wu, Y, Fried, S.D, Boxer, S.G.
登録日2015-08-15
公開日2015-12-02
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Dissecting Proton Delocalization in an Enzyme's Hydrogen Bond Network with Unnatural Amino Acids.
Biochemistry, 54, 2015
5D81
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Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI); D40N, Y57(Cl-Y)
分子名称: Delta(5)-3-ketosteroid isomerase, SULFATE ION
著者Wu, Y, Fried, S.D, Boxer, S.G.
登録日2015-08-15
公開日2015-12-02
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献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)
分子名称: Delta(5)-3-ketosteroid isomerase
著者Wu, Y, Fried, S.D, Boxer, S.G.
登録日2015-08-15
公開日2015-12-02
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Dissecting Proton Delocalization in an Enzyme's Hydrogen Bond Network with Unnatural Amino Acids.
Biochemistry, 54, 2015
4ZF5
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Crystal structure of Green Fluorescent Protein (GFP); S65T, Y66(Cl2Y), H148D; circular permutant ( 50-51)
分子名称: Green fluorescent protein
著者Oltrogge, L.M, Boxer, S.G.
登録日2015-04-21
公開日2015-06-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Short Hydrogen Bonds and Proton Delocalization in Green Fluorescent Protein (GFP).
Acs Cent.Sci., 1, 2015
4ZF3
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Crystal structure of Green Fluorescent Protein (GFP); S65T, H148D; circular permutant ( 50-51)
分子名称: Green fluorescent protein
著者Oltrogge, L.M, Boxer, S.G.
登録日2015-04-21
公開日2015-06-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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)
分子名称: Green fluorescent protein
著者Oltrogge, L.M, Boxer, S.G.
登録日2015-04-21
公開日2015-06-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.823 Å)
主引用文献Short Hydrogen Bonds and Proton Delocalization in Green Fluorescent Protein (GFP).
Acs Cent.Sci., 1, 2015
4MXO
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human Src kinase bound to kinase inhibitor bosutinib
分子名称: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Proto-oncogene tyrosine-protein kinase Src
著者Levinson, N.M, Boxer, S.G.
登録日2013-09-26
公開日2013-12-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.105 Å)
主引用文献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
分子名称: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Proto-oncogene tyrosine-protein kinase Src
著者Levinson, N.M, Boxer, S.G.
登録日2013-09-26
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.582 Å)
主引用文献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
分子名称: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Proto-oncogene tyrosine-protein kinase Src
著者Levinson, N.M, Boxer, S.G.
登録日2013-09-26
公開日2013-12-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
分子名称: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Proto-oncogene tyrosine-protein kinase Src
著者Levinson, N.M, Boxer, S.G.
登録日2013-09-26
公開日2013-12-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.582 Å)
主引用文献A conserved water-mediated hydrogen bond network defines bosutinib's kinase selectivity.
Nat.Chem.Biol., 10, 2014
3T42
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Human aldose reductase in complex with a nitrile-containing IDD inhibitor
分子名称: Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Xu, L, Cohen, A.E, Boxer, S.G.
登録日2011-07-25
公開日2011-10-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Electrostatic Fields near the Active Site of Human Aldose Reductase: 2. New Inhibitors and Complications Caused by Hydrogen Bonds.
Biochemistry, 50, 2011
7SPX
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Crystal structure of photoactive yellow protein (PYP); F28oCNF construct
分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
著者Weaver, J.B, Kirsh, J.M, Boxer, S.G.
登録日2021-11-03
公開日2022-05-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Nitrile Infrared Intensities Characterize Electric Fields and Hydrogen Bonding in Protic, Aprotic, and Protein Environments.
J.Am.Chem.Soc., 144, 2022
7SPV
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BU of 7spv by Molmil
Crystal structure of photoactive yellow protein (PYP); F92oCNF construct
分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
著者Weaver, J.B, Kirsh, J.M, Boxer, S.G.
登録日2021-11-03
公開日2022-05-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Nitrile Infrared Intensities Characterize Electric Fields and Hydrogen Bonding in Protic, Aprotic, and Protein Environments.
J.Am.Chem.Soc., 144, 2022
7SPW
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Crystal structure of photoactive yellow protein (PYP); F62oCNF construct
分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
著者Weaver, J.B, Kirsh, J.M, Boxer, S.G.
登録日2021-11-03
公開日2022-05-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Nitrile Infrared Intensities Characterize Electric Fields and Hydrogen Bonding in Protic, Aprotic, and Protein Environments.
J.Am.Chem.Soc., 144, 2022
7U9N
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S48A Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, CYCLOHEXYLFORMAMIDE, ...
著者Zheng, C, Boxer, S.G.
登録日2022-03-11
公開日2023-02-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Enhanced active-site electric field accelerates enzyme catalysis.
Nat.Chem., 15, 2023
7U6Q
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TEM-1 beta-lactamase
分子名称: Beta-lactamase, SULFATE ION
著者Ji, Z, Boxer, S.G, Mathews, I.I.
登録日2022-03-04
公開日2022-09-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
7UQ9
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S48T Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, CYCLOHEXYLFORMAMIDE, ...
著者Zheng, C, Boxer, S.G.
登録日2022-04-19
公開日2023-02-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Enhanced active-site electric field accelerates enzyme catalysis.
Nat.Chem., 15, 2023

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