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PDB: 99 results
3UE4
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BU of 3ue4 by Molmil
Structural and spectroscopic analysis of the kinase inhibitor bosutinib binding to the Abl tyrosine kinase domain
Descriptor: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Tyrosine-protein kinase ABL1
Authors:Boxer, S.G, Levinson, N.M.
Deposit date:2011-10-28
Release date:2012-04-18
Last modified:2024-02-28
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
7MHA
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BU of 7mha by Molmil
Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant; W252V mutant
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:Boxer, S.G, Mathews, I.I, Weaver, J.B.
Deposit date:2021-04-14
Release date:2022-04-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.79 Å)
Cite: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
1JBZ
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BU of 1jbz by Molmil
CRYSTAL STRUCTURE ANALYSIS OF A DUAL-WAVELENGTH EMISSION GREEN FLUORESCENT PROTEIN VARIANT AT HIGH PH
Descriptor: 1,2-ETHANEDIOL, GREEN FLUORESCENT PROTEIN, MAGNESIUM ION
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:2024-10-30
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
1JBY
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BU of 1jby by Molmil
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:2024-10-16
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
7UQ9
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BU of 7uq9 by Molmil
S48T Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, CYCLOHEXYLFORMAMIDE, ...
Authors:Zheng, C, Boxer, S.G.
Deposit date:2022-04-19
Release date:2023-02-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Enhanced active-site electric field accelerates enzyme catalysis.
Nat.Chem., 15, 2023
7UTW
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BU of 7utw by Molmil
Cd-substituted Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, CADMIUM ION, ...
Authors:Zheng, C, Boxer, S.G.
Deposit date:2022-04-27
Release date:2023-02-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Enhanced active-site electric field accelerates enzyme catalysis.
Nat.Chem., 15, 2023
7U9N
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BU of 7u9n by Molmil
S48A Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, CYCLOHEXYLFORMAMIDE, ...
Authors:Zheng, C, Boxer, S.G.
Deposit date:2022-03-11
Release date:2023-02-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enhanced active-site electric field accelerates enzyme catalysis.
Nat.Chem., 15, 2023
6B7R
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BU of 6b7r by Molmil
Truncated strand 11-less green fluorescent protein
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Green fluorescent protein
Authors:Deng, A, Boxer, S.G.
Deposit date:2017-10-05
Release date:2017-12-27
Last modified:2024-10-23
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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BU of 6b7t by Molmil
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:2024-10-30
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
4MXY
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BU of 4mxy by Molmil
Src M314L T338M double mutant bound to kinase inhibitor bosutinib
Descriptor: 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
Authors:Levinson, N.M, Boxer, S.G.
Deposit date:2013-09-26
Release date:2013-12-25
Last modified:2024-02-28
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
4MXX
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BU of 4mxx by Molmil
Human Src A403T mutant bound to kinase inhibitor bosutinib
Descriptor: 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
Authors:Levinson, N.M, Boxer, S.G.
Deposit date:2013-09-26
Release date:2013-12-04
Last modified:2024-02-28
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
4MXZ
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BU of 4mxz by Molmil
Src M314L T338M double mutant bound to kinase inhibitor bosutinib
Descriptor: 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
Authors:Levinson, N.M, Boxer, S.G.
Deposit date:2013-09-26
Release date:2013-12-04
Last modified:2024-02-28
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
4MXO
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BU of 4mxo by Molmil
human Src kinase bound to kinase inhibitor bosutinib
Descriptor: 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
Authors:Levinson, N.M, Boxer, S.G.
Deposit date:2013-09-26
Release date:2013-12-04
Last modified:2024-02-28
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
5D82
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BU of 5d82 by Molmil
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:2019-12-25
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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BU of 5d83 by Molmil
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:2019-12-25
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
5D81
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BU of 5d81 by Molmil
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:2019-12-25
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
8DDZ
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BU of 8ddz by Molmil
TEM-1 beta-lactamase A237Y
Descriptor: Beta-lactamase TEM
Authors:Ji, Z, Boxer, S.G, Mathews, I.I.
Deposit date:2022-06-19
Release date:2022-09-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
8DE1
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BU of 8de1 by Molmil
TEM-1 beta-lactamase A237Y mutant covalently bound to avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase TEM
Authors:Ji, Z, Boxer, S.G, Mathews, I.I.
Deposit date:2022-06-19
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
8DE2
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BU of 8de2 by Molmil
TEM-1 beta-lactamase A237Y mutant covalently bound to avibactam, a room temperature structure
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase TEM
Authors:Ji, Z, Boxer, S.G, Mathews, I.I.
Deposit date:2022-06-19
Release date:2022-09-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
8DE0
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BU of 8de0 by Molmil
TEM-1 beta-lactamase covalently bound to avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase TEM
Authors:Ji, Z, Boxer, S.G, Mathews, I.I.
Deposit date:2022-06-19
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
6UFS
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BU of 6ufs by Molmil
Crystal structure of ketosteroid isomerase from Pseudomonas putida (pKSI) bound to 5 alpha-dihydronandrolone
Descriptor: 5alpha-dihydronandrolone, Steroid Delta-isomerase
Authors:Wu, Y, Boxer, S.G.
Deposit date:2019-09-24
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:A Preorganized Electric Field Leads to Minimal Geometrical Reorientation in the Catalytic Reaction of Ketosteroid Isomerase.
J.Am.Chem.Soc., 142, 2020
6UN4
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BU of 6un4 by Molmil
Crystal structure of rsEGFP2, Y67(3-ClY), Y107(3-ClY)
Descriptor: Green fluorescent protein, SULFATE ION
Authors:Lin, C.-Y, Romei, M.G, Boxer, S.G, Chang, J.
Deposit date:2019-10-10
Release date:2020-07-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Structural and spectroscopic characterization of photoactive yellow protein and photoswitchable fluorescent protein constructs containing heavy atoms.
J Photochem Photobiol A Chem, 401, 2020
6UN2
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BU of 6un2 by Molmil
Crystal structure of photoactive yellow protein (PYP); C69U construct (selenocysteine incorporation)
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Lin, C.-Y, Romei, M.G, Boxer, S.G.
Deposit date:2019-10-10
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Structural and spectroscopic characterization of photoactive yellow protein and photoswitchable fluorescent protein constructs containing heavy atoms.
J Photochem Photobiol A Chem, 401, 2020
6UN0
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BU of 6un0 by Molmil
Crystal structure of photoactive yellow protein (PYP); F96(4-IF) construct with 3-Br-p-coumaric acid chromophore
Descriptor: (2E)-3-(3-bromo-4-hydroxyphenyl)prop-2-enoic acid, Photoactive yellow protein
Authors:Lin, C.-Y, Romei, M.G, Boxer, S.G.
Deposit date:2019-10-10
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Structural and spectroscopic characterization of photoactive yellow protein and photoswitchable fluorescent protein constructs containing heavy atoms.
J Photochem Photobiol A Chem, 401, 2020
8E1K
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BU of 8e1k by Molmil
Crystal structure of photoactive yellow protein (PYP); F96oCNF M100Q construct
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Kirsh, J.M, Weaver, J.B, Boxer, S.G.
Deposit date:2022-08-10
Release date:2022-08-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Protic and Aprotic Interactions Systematically Perturbed and Mapped via MD and IR Spectroscopy
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