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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
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.,Sect.D, D79, 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
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.,Sect.D, D79, 2023
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
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
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
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.,Sect.D, D79, 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
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
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.,Sect.D, D79, 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
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.,Sect.D, D79, 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
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
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.,Sect.D, D79, 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
7LFG
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BU of 7lfg by Molmil
X-ray radiation damage series on Thaumatin at 277K, crystal structure, dataset 1
Descriptor: L(+)-TARTARIC ACID, Thaumatin I
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-01-17
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
6D3N
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BU of 6d3n by Molmil
Crystal structure of h4-1BB ligand
Descriptor: GLYCEROL, Tumor necrosis factor ligand superfamily member 9
Authors:Aruna, B, Zajonc, D.M, Doukov, T.
Deposit date:2018-04-16
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of the human 4-1BB receptor bound to its ligand 4-1BBL reveal covalent receptor dimerization as a potential signaling amplifier.
J. Biol. Chem., 293, 2018
6CU0
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BU of 6cu0 by Molmil
Crystal structure of 4-1BBL/4-1BB (C121S) complex in P21 space group
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 9, Tumor necrosis factor receptor superfamily member 9
Authors:Aruna, B, Zajonc, D.M, Doukov, T.
Deposit date:2018-03-23
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structures of the human 4-1BB receptor bound to its ligand 4-1BBL reveal covalent receptor dimerization as a potential signaling amplifier.
J. Biol. Chem., 293, 2018
7RXK
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BU of 7rxk by Molmil
Multi-conformer model of Apo Ketosteroid Isomerase Y32F/Y57F mutant from Pseudomonas Putida (pKSI) at 250 K
Descriptor: CHLORIDE ION, MAGNESIUM ION, Steroid Delta-isomerase
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-08-23
Release date:2022-11-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Ensemble-function relationships to dissect mechanisms of enzyme catalysis.
Sci Adv, 8, 2022
7RY4
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BU of 7ry4 by Molmil
Multi-conformer model of Ketosteroid Isomerase Y57F/D40N mutant from Pseudomonas Putida (pKSI) bound to a transition state analog at 250 K
Descriptor: (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-08-24
Release date:2022-11-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Ensemble-function relationships to dissect mechanisms of enzyme catalysis.
Sci Adv, 8, 2022
7RXF
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BU of 7rxf by Molmil
Multi-conformer model of Apo Ketosteroid Isomerase Y57F mutant from Pseudomonas Putida (pKSI) at 250 K
Descriptor: CHLORIDE ION, MAGNESIUM ION, Steroid Delta-isomerase
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-08-23
Release date:2022-11-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Ensemble-function relationships to dissect mechanisms of enzyme catalysis.
Sci Adv, 8, 2022
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

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