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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

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

7SJJ

Crystal structure of photoactive yellow protein (PYP); F96oCNF construct
Descriptor:	4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:	Weaver, J.B, Kirsh, J.M, Boxer, S.G.
Deposit date:	2021-10-17
Release date:	2022-05-11
Last modified:	2023-11-15
Method:	X-RAY DIFFRACTION (0.95 Å)
Cite:	Nitrile Infrared Intensities Characterize Electric Fields and Hydrogen Bonding in Protic, Aprotic, and Protein Environments. J.Am.Chem.Soc., 144, 2022

8UCX

Dihydrofolate Reductase Complexed with Folate
Descriptor:	Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION
Authors:	Fried, S.D.E, Boxer, S.G.
Deposit date:	2023-09-27
Release date:	2023-10-11
Last modified:	2023-11-15
Method:	X-RAY DIFFRACTION (1.57 Å)
Cite:	Role of Electrostatics in Hydride Transfer by Dihydrofolate Reductase To Be Published

4MXY

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

8VTL

Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant Y(M210)2-methoxyphenylalanine
Descriptor:	BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:	Tran, K, Mathews, I, Boxer, S.G.
Deposit date:	2024-01-26
Release date:	2024-03-13
Method:	X-RAY DIFFRACTION (3.05 Å)
Cite:	Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant Y(M210)2-methoxyphenylalanine To Be Published

8VTM

Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant Y(M210)2-bromophenylalanine
Descriptor:	BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:	Tran, K, Mathews, I, Boxer, S.G.
Deposit date:	2024-01-26
Release date:	2024-03-13
Method:	X-RAY DIFFRACTION (3.51 Å)
Cite:	Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant Y(M210)2-bromophenylalanine To Be Published

8VTO

Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant Y(M210)2-methylphenylalanine
Descriptor:	BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:	Tran, K, Mathews, I, Boxer, S.G.
Deposit date:	2024-01-26
Release date:	2024-03-13
Method:	X-RAY DIFFRACTION (3.09 Å)
Cite:	Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant Y(M210)2-methylphenylalanine To Be Published

8VTJ

Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant Y(M210)2-cyanophenylalanine
Descriptor:	BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:	Mathews, I, Tran, K, Boxer, S.G.
Deposit date:	2024-01-26
Release date:	2024-03-13
Method:	X-RAY DIFFRACTION (2.81 Å)
Cite:	Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant Y(M210)2-cyanophenylalanine To Be Published

8VTN

Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant Y(M210)2-nitrophenylalanine
Descriptor:	BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:	Tran, K, Mathews, I, Boxer, S.G.
Deposit date:	2024-01-26
Release date:	2024-03-13
Method:	X-RAY DIFFRACTION (3.57 Å)
Cite:	Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant Y(M210)2-nitrophenylalanine To Be Published

8VTK

Crystal structure of R.sphaeroides Photosynthetic Reaction Center variant Y(M210)2-chlorophenylalanine
Descriptor:	BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:	Tran, K, Mathews, I, Boxer, S.G.
Deposit date:	2024-01-26
Release date:	2024-03-13
Method:	X-RAY DIFFRACTION (3.07 Å)
Cite:	Crystal structure of R.sphaeroides Photosynthetic Reaction Center variant Y(M210)2-chlorophenylalanine To Be Published

8VZ4

L54G Mutant of E. coli Dihydrofolate Reductase Complexed with Nicotinamide Adenine Dinucleotide Phosphate (oxidized form)
Descriptor:	Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:	Fried, S.D.E, Boxer, S.G.
Deposit date:	2024-02-09
Release date:	2024-04-17
Method:	X-RAY DIFFRACTION (1.25 Å)
Cite:	Role of Electrostatics in Hydride Transfer by Dihydrofolate Reductase To Be Published

1JBY

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:	2023-11-15
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

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:	2023-11-15
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

4ZF4

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:	2023-11-15
Method:	X-RAY DIFFRACTION (1.823 Å)
Cite:	Short Hydrogen Bonds and Proton Delocalization in Green Fluorescent Protein (GFP). Acs Cent.Sci., 1, 2015

6B7R

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:	2023-11-15
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

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:	2023-11-15
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

4ZF3

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:	2023-11-15
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	Short Hydrogen Bonds and Proton Delocalization in Green Fluorescent Protein (GFP). Acs Cent.Sci., 1, 2015

4ZF5

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:	2023-11-15
Method:	X-RAY DIFFRACTION (1.7 Å)
Cite:	Short Hydrogen Bonds and Proton Delocalization in Green Fluorescent Protein (GFP). Acs Cent.Sci., 1, 2015

4MXX

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

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

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

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

5D81

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

5D83

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

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