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PDB: 106 results
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
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
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
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
8VTN
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BU of 8vtn by Molmil
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
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BU of 8vtk by Molmil
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
8VTL
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BU of 8vtl by Molmil
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
8VTJ
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BU of 8vtj by Molmil
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
8VTO
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BU of 8vto by Molmil
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
8VTM
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BU of 8vtm by Molmil
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
8VZ4
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BU of 8vz4 by Molmil
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
3OQY
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BU of 3oqy by Molmil
Semi-synthetic ribonuclease S: para-cyano-phenylalanine at position 8
Descriptor: Ribonuclease pancreatic
Authors:Fafarman, A.T, Boxer, S.G.
Deposit date:2010-09-04
Release date:2010-10-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.494 Å)
Cite:Nitrile bonds as infrared probes of electrostatics in ribonuclease S.
J.Phys.Chem.B, 114, 2010
3OQZ
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BU of 3oqz by Molmil
Semi-synthetic ribonuclease S: meta-cyano-phenylalanine at position 8
Descriptor: Ribonuclease pancreatic
Authors:Fafarman, A.T, Boxer, S.G.
Deposit date:2010-09-04
Release date:2010-10-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Nitrile bonds as infrared probes of electrostatics in ribonuclease S.
J.Phys.Chem.B, 114, 2010
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
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
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
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
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
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

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