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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
7RRH
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BU of 7rrh by Molmil
Crystal structure of fast switching R66M/M159T mutant of fluorescent protein Dronpa (Dronpa2)
Descriptor: Fluorescent protein Dronpa
Authors:Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G.
Deposit date:2021-08-09
Release date:2021-10-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.747 Å)
Cite:Energetic Basis and Design of Enzyme Function Demonstrated Using GFP, an Excited-State Enzyme.
J.Am.Chem.Soc., 144, 2022
7RRI
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BU of 7rri by Molmil
Crystal structure of fast switching S142A/M159T mutant of fluorescent protein Dronpa (Dronpa2)
Descriptor: Fluorescent protein Dronpa
Authors:Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G.
Deposit date:2021-08-09
Release date:2021-10-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.643 Å)
Cite:Energetic Basis and Design of Enzyme Function Demonstrated Using GFP, an Excited-State Enzyme.
J.Am.Chem.Soc., 144, 2022
7RRJ
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BU of 7rrj by Molmil
Crystal structure of fast switching M159Q mutant of fluorescent protein Dronpa (Dronpa2)
Descriptor: Fluorescent protein Dronpa
Authors:Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G.
Deposit date:2021-08-09
Release date:2021-10-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Energetic Basis and Design of Enzyme Function Demonstrated Using GFP, an Excited-State Enzyme.
J.Am.Chem.Soc., 144, 2022
7RRK
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BU of 7rrk by Molmil
Crystal structure of fast switching M159E mutant of fluorescent protein Dronpa (Dronpa2)
Descriptor: Fluorescent protein Dronpa
Authors:Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G.
Deposit date:2021-08-09
Release date:2021-10-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.929 Å)
Cite:Energetic Basis and Design of Enzyme Function Demonstrated Using GFP, an Excited-State Enzyme.
J.Am.Chem.Soc., 144, 2022
7RM6
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BU of 7rm6 by Molmil
Horse liver alcohol dehydrogenase in complex with NADH and N-cylcohexyl formamide
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, CYCLOHEXYLFORMAMIDE, ...
Authors:Zheng, C, Boxer, S.G.
Deposit date:2021-07-26
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:A two-directional vibrational probe reveals different electric field orientations in solution and an enzyme active site.
Nat.Chem., 14, 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:2023-10-25
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
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
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
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:2023-10-25
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
3OR0
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BU of 3or0 by Molmil
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:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Nitrile bonds as infrared probes of electrostatics in ribonuclease S.
J.Phys.Chem.B, 114, 2010
8DZX
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BU of 8dzx by Molmil
Crystal structure of photoactive yellow protein (PYP); F96oCNF M100K construct
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Kirsh, J.M, Weaver, J.B, Boxer, S.G.
Deposit date:2022-08-08
Release date:2022-08-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Protic and Aprotic Interactions Systematically Perturbed and Mapped via MD and IR Spectroscopy
To Be Published
8E03
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BU of 8e03 by Molmil
Crystal structure of photoactive yellow protein (PYP); F96oCNF M100D construct
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Kirsh, J.M, Weaver, J.B, Boxer, S.G.
Deposit date:2022-08-08
Release date:2022-08-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Protic and Aprotic Interactions Systematically Perturbed and Mapped via MD and IR Spectroscopy
To Be Published
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
To Be Published
8E1L
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BU of 8e1l by Molmil
Crystal structure of photoactive yellow protein (PYP); F96oCNF M100N 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 (1.2 Å)
Cite:Protic and Aprotic Interactions Systematically Perturbed and Mapped via MD and IR Spectroscopy
To Be Published
8E02
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BU of 8e02 by Molmil
Crystal structure of photoactive yellow protein (PYP); F96oCNF T103V construct
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Kirsh, J.M, Weaver, J.B, Boxer, S.G.
Deposit date:2022-08-08
Release date:2022-08-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Protic and Aprotic Interactions Systematically Perturbed and Mapped via MD and IR Spectroscopy
To Be Published
8E09
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BU of 8e09 by Molmil
Crystal structure of photoactive yellow protein (PYP); F96oCNF M100E construct
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Kirsh, J.M, Weaver, J.B, Boxer, S.G.
Deposit date:2022-08-08
Release date:2022-08-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Protic and Aprotic Interactions Systematically Perturbed and Mapped via MD and IR Spectroscopy
To Be Published

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