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8F01
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BU of 8f01 by Molmil
Thaumatin Anomalous Dataset at 293 K and 7.1 keV
Descriptor: L(+)-TARTARIC ACID, POTASSIUM ION, Thaumatin I
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-01
Release date:2023-03-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
8EZX
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BU of 8ezx by Molmil
Lysozyme Anomalous Dataset at 293 K and 7.1 keV
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-01
Release date:2023-03-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
8F05
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BU of 8f05 by Molmil
Proteinase K Anomalous Dataset at 293 K and 7.1 keV
Descriptor: CALCIUM ION, Proteinase K, SULFATE ION
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-01
Release date:2023-03-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
8EZO
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BU of 8ezo by Molmil
Lysozyme Anomalous Dataset at 220 K and 7.1 keV
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Doukov, T, Yabukarski, F.
Deposit date:2022-11-01
Release date:2023-03-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
8F0B
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BU of 8f0b by Molmil
Lysozyme Anomalous Dataset at 240 K and 7.1 keV
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-02
Release date:2023-03-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
8F07
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BU of 8f07 by Molmil
Proteinase K Anomalous Dataset at 273 K and 12 keV
Descriptor: CALCIUM ION, Proteinase K, SULFATE ION
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-01
Release date:2023-03-15
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
8F03
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BU of 8f03 by Molmil
Thaumatin Anomalous Dataset at 293 K and 12 keV
Descriptor: L(+)-TARTARIC ACID, POTASSIUM ION, Thaumatin I
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-01
Release date:2023-03-15
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
8F00
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BU of 8f00 by Molmil
Lysozyme Anomalous Dataset at 293 K and 12 keV
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-01
Release date:2023-03-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
8EZU
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BU of 8ezu by Molmil
Lysozyme Anomalous Dataset at 273 K and 7.1 keV
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-01
Release date:2023-03-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
8EZP
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BU of 8ezp by Molmil
Lysozyme Anomalous Dataset at 260 K and 7.1 keV
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-01
Release date:2023-03-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
8F06
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BU of 8f06 by Molmil
Proteinase K Anomalous Dataset at 310 K and 7.1 keV
Descriptor: CALCIUM ION, Proteinase K, SULFATE ION
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-01
Release date:2023-03-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
3HSP
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BU of 3hsp by Molmil
Ternary structure of neuronal nitric oxide synthase with NHA and NO bound(2)
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ...
Authors:Doukov, T, Li, H, Soltis, M, Poulos, T.L.
Deposit date:2009-06-10
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Single crystal structural and absorption spectral characterizations of nitric oxide synthase complexed with N(omega)-hydroxy-L-arginine and diatomic ligands.
Biochemistry, 48, 2009
3HSO
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BU of 3hso by Molmil
Ternary structure of neuronal nitric oxide synthase with NHA and NO bound(1)
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-OMEGA-HYDROXY-L-ARGININE, ...
Authors:Doukov, T, Li, H, Soltis, M, Poulos, T.L.
Deposit date:2009-06-10
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Single crystal structural and absorption spectral characterizations of nitric oxide synthase complexed with N(omega)-hydroxy-L-arginine and diatomic ligands.
Biochemistry, 48, 2009
3HSN
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BU of 3hsn by Molmil
Ternary structure of neuronal nitric oxide synthase with NHA and CO bound
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CARBON MONOXIDE, ...
Authors:Doukov, T, Li, H, Soltis, M, Poulos, T.L.
Deposit date:2009-06-10
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Single crystal structural and absorption spectral characterizations of nitric oxide synthase complexed with N(omega)-hydroxy-L-arginine and diatomic ligands.
Biochemistry, 48, 2009
5EJX
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BU of 5ejx by Molmil
X-ray Free Electron Laser Structure of Cytochrome C Peroxidase
Descriptor: Cytochrome c peroxidase, mitochondrial, PHOSPHATE ION, ...
Authors:Doukov, T, Soltis, S.M, Baxter, E.L, Cohen, A, Song, J, McPhillips, S, Poulos, T.L, Meharenna, Y.T, Chreifi, G.
Deposit date:2015-11-02
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the pristine peroxidase ferryl center and its relevance to proton-coupled electron transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
5EJT
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BU of 5ejt by Molmil
Thermally annealed ferryl Cytochrome C Peroxidase crystal structure
Descriptor: Cytochrome c peroxidase, mitochondrial, PHOSPHATE ION, ...
Authors:Doukov, T, Soltis, S.M, Baxter, E.L, Cohen, A, Song, J, McPhillips, S, Poulos, T.L, Meharenna, Y.T, Chreifi, G.
Deposit date:2015-11-02
Release date:2016-01-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of the pristine peroxidase ferryl center and its relevance to proton-coupled electron transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
3Q9A
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BU of 3q9a by Molmil
Structure of neuronal nitric oxide synthase in the ferric state in complex with N-5-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ...
Authors:Li, H, Doukov, T, Poulos, T.L.
Deposit date:2011-01-07
Release date:2011-05-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Temperature-dependent spin crossover in neuronal nitric oxide synthase bound with the heme-coordinating thioether inhibitors.
J.Am.Chem.Soc., 133, 2011
3Q99
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BU of 3q99 by Molmil
Structure of neuronal nitric oxide synthase in the ferric state in complex with N~5~-[(3-(ethylsulfanyl)propanimidoyl]-L-ornithine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ...
Authors:Li, H, Doukov, T, Poulos, T.L.
Deposit date:2011-01-07
Release date:2011-05-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Temperature-dependent spin crossover in neuronal nitric oxide synthase bound with the heme-coordinating thioether inhibitors.
J.Am.Chem.Soc., 133, 2011
9CPL
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BU of 9cpl by Molmil
The ubiquitin-associated domain of human thirty-eight negative kinase 1, fused to the 2TEL crystallization chaperone via a 2-glycine linker
Descriptor: 2TEL/Non-receptor tyrosine-protein kinase TNK1 fusion protein, FORMIC ACID
Authors:Samarawickrama, P, Averett, J, Doukov, T, Moody, J.D.
Deposit date:2024-07-18
Release date:2024-08-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:1TEL Fusions Outperform 2TEL and 3TEL Fusions in Controlled Comparisons
To Be Published
6P44
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BU of 6p44 by Molmil
Crystal Structure of Ketosteroid Isomerase D38N mutant from Mycobacterium hassiacum (mhKSI) bound to 3,4-dinitrophenol
Descriptor: 3,4-dinitrophenol, GUANIDINE, SULFATE ION, ...
Authors:Yabukarski, F, Doukov, T, Pinney, M, Herschlag, D.
Deposit date:2019-05-25
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.251 Å)
Cite:Parallel molecular mechanisms for enzyme temperature adaptation.
Science, 371, 2021
6P3L
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BU of 6p3l by Molmil
Crystal Structure of Ketosteroid Isomerase from Mycobacterium hassiacum (mhKSI)
Descriptor: GUANIDINE, SULFATE ION, SnoaL-like domain protein
Authors:Yabukarski, F, Doukov, T, Pinney, M, Herschlag, D.
Deposit date:2019-05-23
Release date:2020-05-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.571 Å)
Cite:Parallel molecular mechanisms for enzyme temperature adaptation.
Science, 371, 2021
8ASH
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BU of 8ash by Molmil
Crystal structure of d(CCGGGGTACCCCGG) with XRB
Descriptor: 4-[(~{E})-(3,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-~{N},~{N}-dimethyl-aniline, DNA (5'-D(*CP*CP*GP*GP*GP*GP*TP*AP*CP*CP*CP*CP*GP*G)-3')
Authors:Sbirkova-Dimitrova, H.I, Shivachev, B.L, Rusev, R, Kuvandjiev, N, Heroux, A, Doukov, T.
Deposit date:2022-08-19
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.837 Å)
Cite:Structural Characterization of Alzheimer DNA Promoter Sequences from the Amyloid Precursor Gene in the Presence of Thioflavin T and Analogs
Crystals, 12, 2022
8ASK
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BU of 8ask by Molmil
Crystal structure of d(GCCCACCACGGC)
Descriptor: DNA (5'-D(P*GP*CP*CP*CP*AP*CP*CP*AP*CP*GP*GP*C)-3'), DNA (5'-D(P*GP*CP*CP*GP*TP*GP*GP*TP*GP*GP*GP*C)-3')
Authors:Sbirkova-Dimitrova, H.I, Shivachev, B.L, Rusev, R, Heroux, A, Doukov, T, Kuvandjiev, N.
Deposit date:2022-08-19
Release date:2023-01-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.955 Å)
Cite:Structural Characterization of Alzheimer DNA Promoter Sequences from the Amyloid Precursor Gene in the Presence of Thioflavin T and Analogs
Crystals, 12, 2022
6MKB
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BU of 6mkb by Molmil
Crystal structure of murine 4-1BB ligand
Descriptor: SODIUM ION, SULFATE ION, Tumor necrosis factor ligand superfamily member 9, ...
Authors:Bitra, A, Zajonc, D.M, Doukov, T.
Deposit date:2018-09-25
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the m4-1BB/4-1BBL complex reveals an unusual dimeric ligand that undergoes structural changes upon 4-1BB receptor binding.
J. Biol. Chem., 294, 2019
6MKZ
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BU of 6mkz by Molmil
Crystal structure of murine 4-1BB/4-1BBL complex
Descriptor: Tumor necrosis factor ligand superfamily member 9, Tumor necrosis factor receptor superfamily member 9, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Bitra, A, Zajonc, D.M, Doukov, T.
Deposit date:2018-09-26
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of the m4-1BB/4-1BBL complex reveals an unusual dimeric ligand that undergoes structural changes upon 4-1BB receptor binding.
J. Biol. Chem., 294, 2019

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