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PDB: 106 results

6PFS
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BU of 6pfs by Molmil
rsEGFP2 with a chlorinated chromophore in the fluorescent on-state in a contracted unit cell
Descriptor: Green fluorescent protein, SULFATE ION
Authors:Chang, J, Romei, M.G, Boxer, S.G.
Deposit date:2019-06-22
Release date:2019-08-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.759 Å)
Cite:Structural Evidence of Photoisomerization Pathways in Fluorescent Proteins.
J.Am.Chem.Soc., 141, 2019
5KP4
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BU of 5kp4 by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI) bound to 19-nortestosterone
Descriptor: (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}-cyclop enta[a]phenanthren-3-one, Steroid Delta-isomerase
Authors:Wu, Y, Boxer, S.G.
Deposit date:2016-07-01
Release date:2016-09-07
Last modified:2024-03-06
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
5KP1
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BU of 5kp1 by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI) bound to Equilenin; D40N, Y16(Cl-Y)
Descriptor: EQUILENIN, SULFATE ION, Steroid Delta-isomerase
Authors:Wu, Y, Boxer, S.G.
Deposit date:2016-07-01
Release date:2016-09-07
Last modified:2019-12-25
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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BU of 5kp3 by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI) bound to Equilenin; D40N, Y57(Cl-Y)
Descriptor: EQUILENIN, SULFATE ION, Steroid Delta-isomerase
Authors:Wu, Y, Boxer, S.G.
Deposit date:2016-07-01
Release date:2016-09-07
Last modified:2019-12-25
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
4ZF5
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BU of 4zf5 by Molmil
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
4ZF3
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BU of 4zf3 by Molmil
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
4ZF4
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BU of 4zf4 by Molmil
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
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
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
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
7MH8
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BU of 7mh8 by Molmil
Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant; Y(M210)3-methyltyrosine
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:Mathews, I, Weaver, J, Boxer, S.G.
Deposit date:2021-04-14
Release date:2021-12-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Photosynthetic reaction center variants made via genetic code expansion show Tyr at M210 tunes the initial electron transfer mechanism.
Proc.Natl.Acad.Sci.USA, 118, 2021
7MH4
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BU of 7mh4 by Molmil
Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant; Y(M210)3-bromotyrosine
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:Mathews, I, Weaver, J, Boxer, S.G.
Deposit date:2021-04-14
Release date:2021-12-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Photosynthetic reaction center variants made via genetic code expansion show Tyr at M210 tunes the initial electron transfer mechanism.
Proc.Natl.Acad.Sci.USA, 118, 2021
7MH5
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BU of 7mh5 by Molmil
Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant; Y(M210)3-iodotyrosine
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:Mathews, I, Weaver, J, Boxer, S.G.
Deposit date:2021-04-14
Release date:2021-12-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Photosynthetic reaction center variants made via genetic code expansion show Tyr at M210 tunes the initial electron transfer mechanism.
Proc.Natl.Acad.Sci.USA, 118, 2021
7MH3
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BU of 7mh3 by Molmil
Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant; Y(M210)3-chlorotyrosine
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:Mathews, I, Weaver, J.B, Boxer, S.G.
Deposit date:2021-04-14
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Photosynthetic reaction center variants made via genetic code expansion show Tyr at M210 tunes the initial electron transfer mechanism.
Proc.Natl.Acad.Sci.USA, 118, 2021
7MH9
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BU of 7mh9 by Molmil
Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant; Y(M210)3-nitrotyrosine
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:Mathews, I, Weaver, J, Boxer, S.G.
Deposit date:2021-04-14
Release date:2021-12-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Photosynthetic reaction center variants made via genetic code expansion show Tyr at M210 tunes the initial electron transfer mechanism.
Proc.Natl.Acad.Sci.USA, 118, 2021
6UMZ
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BU of 6umz by Molmil
Crystal structure of photoactive yellow protein (PYP); 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 (0.9 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
6UN7
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BU of 6un7 by Molmil
Crystal structure of green fluorescent protein (GFP); S65T, Y66(3-OMeY); ih circular permutant (50-51)
Descriptor: Green fluorescent protein
Authors:Lin, C.-Y, Boxer, S.G.
Deposit date:2019-10-10
Release date:2020-10-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Unusual Spectroscopic and Electric Field Sensitivity of Chromophores with Short Hydrogen Bonds: GFP and PYP as Model Systems.
J.Phys.Chem.B, 124, 2020
6UMY
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BU of 6umy by Molmil
Crystal structure of photoactive yellow protein (PYP); F96(4-IF) construct
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 (0.923 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
6UN5
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BU of 6un5 by Molmil
Crystal structure of green fluorescent protein (GFP); S65T, Y66(2,3,5-F3Y); ih circular permutant (50-51)
Descriptor: Green fluorescent protein,Green fluorescent protein
Authors:Lin, C.-Y, Boxer, S.G.
Deposit date:2019-10-10
Release date:2020-10-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Unusual Spectroscopic and Electric Field Sensitivity of Chromophores with Short Hydrogen Bonds: GFP and PYP as Model Systems.
J.Phys.Chem.B, 124, 2020
6UN6
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BU of 6un6 by Molmil
Crystal structure of green fluorescent protein (GFP); S65T, Y66(3-NO2Y); ih circular permutant (50-51)
Descriptor: Green fluorescent protein
Authors:Lin, C.-Y, Boxer, S.G.
Deposit date:2019-10-10
Release date:2020-10-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Unusual Spectroscopic and Electric Field Sensitivity of Chromophores with Short Hydrogen Bonds: GFP and PYP as Model Systems.
J.Phys.Chem.B, 124, 2020
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
7SPV
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BU of 7spv by Molmil
Crystal structure of photoactive yellow protein (PYP); F92oCNF construct
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Weaver, J.B, Kirsh, J.M, Boxer, S.G.
Deposit date:2021-11-03
Release date:2022-05-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Nitrile Infrared Intensities Characterize Electric Fields and Hydrogen Bonding in Protic, Aprotic, and Protein Environments.
J.Am.Chem.Soc., 144, 2022

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