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PDB: 131 results

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
8FZ4
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BU of 8fz4 by Molmil
The von Willebrand factor A domain of Anthrax toxin receptor 2
Descriptor: Anthrax toxin receptor 2, CHLORIDE ION, MAGNESIUM ION
Authors:Pedroza-Romo, M.J, Soleimani, S, Lewis, A, Smith, T, Brown, S, Doukov, T, Moody, J.D.
Deposit date:2023-01-27
Release date:2023-03-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Increasing the bulk of the 1TEL-target linker and retaining the 10×His tag in a 1TEL-CMG2-vWa construct improves crystal order and diffraction limits.
Acta Crystallogr D Struct Biol, 79, 2023
6OFB
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BU of 6ofb by Molmil
Crystal structure of human glutamine-dependent NAD+ synthetase complexed with NaAD+, AMP, pyrophosphate, and Mg2+
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Glutamine-dependent NAD(+) synthetase, ...
Authors:Chuenchor, W, Doukov, T.I, Gerratana, B.
Deposit date:2019-03-28
Release date:2020-01-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Different ways to transport ammonia in human and Mycobacterium tuberculosis NAD+synthetases.
Nat Commun, 11, 2020
5TPQ
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BU of 5tpq by Molmil
E. coli alkaline phosphatase D101A, D153A, R166S, E322A, K328A mutant
Descriptor: Alkaline phosphatase, PHOSPHATE ION, ZINC ION
Authors:Sunden, F, AlSadhan, I, Lyubimov, A.Y, Doukov, T, Swan, J, Herschlag, D.
Deposit date:2016-10-20
Release date:2017-11-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Differential catalytic promiscuity of the alkaline phosphatase superfamily bimetallo core reveals mechanistic features underlying enzyme evolution.
J. Biol. Chem., 292, 2017
4GED
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BU of 4ged by Molmil
Crystal Structure of the Leishmania Major Peroxidase-Cytochrome C Complex
Descriptor: Ascorbate peroxidase, Cytochrome c, HEME C, ...
Authors:Jasion, V.S, Doukov, T, Pineda, S.H, Li, H, Poulos, T.L.
Deposit date:2012-08-01
Release date:2012-10-24
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal structure of the Leishmania major peroxidase-cytochrome c complex.
Proc.Natl.Acad.Sci.USA, 109, 2012
8SOV
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BU of 8sov by Molmil
Proteinase K Multiconformer Model at 353K
Descriptor: ALA-ALA-ALA-SER-VAL-LYS, CALCIUM ION, Proteinase K, ...
Authors:Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S.
Deposit date:2023-04-30
Release date:2023-08-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.291 Å)
Cite:Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data.
Methods Enzymol., 688, 2023
7STW
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BU of 7stw by Molmil
Structure of DPSL (DNA Protection in Starved Cells - Like) from Pyrococcus furiosus
Descriptor: DNA protection during starvation protein, FE (III) ION, ZINC ION
Authors:Gauvin, C.C, Waghwani, H.K, Douglas, T, Lawrence, C.M.
Deposit date:2021-11-15
Release date:2021-12-01
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.37 Å)
Cite:Structure of DPSL (DNA Protection in Starved Cells - Like) from Pyrococcus furiosus
To be published
8SOG
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BU of 8sog by Molmil
Proteinase K Multiconformer Model at 313K
Descriptor: CALCIUM ION, Proteinase K, SULFATE ION
Authors:Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S.
Deposit date:2023-04-28
Release date:2023-08-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data.
Methods Enzymol., 688, 2023
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
8SPL
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BU of 8spl by Molmil
Proteinase K Multiconformer Model at 343K
Descriptor: ALA-ALA-ALA-SER-VAL-LYS, CALCIUM ION, Proteinase K, ...
Authors:Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S.
Deposit date:2023-05-03
Release date:2023-08-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data.
Methods Enzymol., 688, 2023
8SOU
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BU of 8sou by Molmil
Proteinase K Multiconformer Model at 363K
Descriptor: ALA-ALA-ALA-SER-VAL-LYS, CALCIUM ION, Proteinase K, ...
Authors:Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S.
Deposit date:2023-04-30
Release date:2023-08-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data.
Methods Enzymol., 688, 2023
8SQV
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BU of 8sqv by Molmil
Proteinase K Multiconformer Model at 333K
Descriptor: CALCIUM ION, Proteinase K, SULFATE ION
Authors:Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S.
Deposit date:2023-05-04
Release date:2023-08-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data.
Methods Enzymol., 688, 2023
8FT8
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BU of 8ft8 by Molmil
The von Willebrand factor A domain of human capillary morphogenesis gene II, flexibly fused to the 1TEL crystallization chaperone, Thr-Val linker variant, SUMO tag-free preparation
Descriptor: CHLORIDE ION, GLYCEROL, POTASSIUM ION, ...
Authors:Gajjar, P.L, Litchfield, C.M, Callahan, M, Redd, N, Doukov, T, Moody, J.D.
Deposit date:2023-01-11
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Increasing the bulk of the 1TEL-target linker and retaining the 10×His tag in a 1TEL-CMG2-vWa construct improves crystal order and diffraction limits.
Acta Crystallogr D Struct Biol, 79, 2023
8FT6
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BU of 8ft6 by Molmil
The von Willebrand factor A domain of human capillary morphogenesis gene II, flexibly fused to the 1TEL crystallization chaperone, Ala-Ala linker variant, SUMO tag-free preparation.
Descriptor: CITRIC ACID, IODIDE ION, SULFATE ION, ...
Authors:Gajjar, P.L, Litchfield, C.M, Callahan, M, Redd, N, Doukov, T, Moody, J.D.
Deposit date:2023-01-11
Release date:2023-03-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Increasing the bulk of the 1TEL-target linker and retaining the 10×His tag in a 1TEL-CMG2-vWa construct improves crystal order and diffraction limits.
Acta Crystallogr D Struct Biol, 79, 2023
9E4Q
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BU of 9e4q by Molmil
A DARPin fused to the 3TEL crystallization chaperone via a gly-gly-gly fusion
Descriptor: SULFATE ION, Transcription factor ETV6,DARPin
Authors:Pedroza Romo, M.J, Noakes, E, Soleimani, S, Smith, T, Doukov, T, Moody, J.D.
Deposit date:2024-10-25
Release date:2024-12-04
Method:X-RAY DIFFRACTION (3.58 Å)
Cite:Optimal TELSAM-Target Protein Linker Character is Target Protein Dependent
To Be Published
9DB5
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BU of 9db5 by Molmil
A DARPin fused to the 1TEL crystallization chaperone via a proline-alanine linker
Descriptor: ACETIC ACID, CHLORIDE ION, SODIUM ION, ...
Authors:Pedroza Romo, M.J, Averett, J.C, Keliiliki, A, Wilson, E.W, Smith, C, Hansen, D, Averett, B, Gonzalez, J, Noakes, E, Nickles, R, Doukov, T, Moody, J.D.
Deposit date:2024-08-23
Release date:2024-10-09
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Optimal TELSAM-Target Protein Linker Character is Target Protein Dependent
To Be Published
7N1O
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BU of 7n1o by Molmil
The von Willebrand factor A domain of human capillary morphogenesis gene II, flexibly fused to the 1TEL crystallization chaperone
Descriptor: CHLORIDE ION, MAGNESIUM ION, Transcription factor ETV6,Isoform 4 of Anthrax toxin receptor 2
Authors:Mathis, M.H, Bezzant, B.D, Ramirez, D.T, Sarath Nawarathnage, S.D, Doukov, T, Moody, J.D.
Deposit date:2021-05-27
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Crystals of TELSAM-target protein fusions that exhibit minimal crystal contacts and lack direct inter-TELSAM contacts.
Open Biology, 12, 2022
2E33
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BU of 2e33 by Molmil
Structural basis for selection of glycosylated substrate by SCFFbs1 ubiquitin ligase
Descriptor: F-box only protein 2, Ribonuclease pancreatic, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Mizushima, T, Yoshida, Y, Kumanomidou, T, Hasegawa, Y, Yamane, T, Tanaka, K.
Deposit date:2006-11-20
Release date:2007-03-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for the selection of glycosylated substrates by SCFFbs1 ubiquitin ligase
Proc.Natl.Acad.Sci.Usa, 104, 2007
2E31
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BU of 2e31 by Molmil
Structural basis for selection of glycosylated substrate by SCFFbs1 ubiquitin ligase
Descriptor: F-box only protein 2, S-phase kinase-associated protein 1A
Authors:Mizushima, T, Yoshida, Y, Kumanomidou, T, Hasegawa, Y, Yamane, T, Tanaka, K.
Deposit date:2006-11-20
Release date:2007-03-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the selection of glycosylated substrates by SCFFbs1 ubiquitin ligase
Proc.Natl.Acad.Sci.Usa, 104, 2007
5F4H
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BU of 5f4h by Molmil
Archael RuvB-like Holiday junction helicase
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Nucleotide binding protein PINc
Authors:Zhai, B, DuPrez, K.T, Doukov, T.I, Shen, Y, Fan, L.
Deposit date:2015-12-03
Release date:2016-12-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.699 Å)
Cite:Structure and Function of a Novel ATPase that Interacts with Holliday Junction Resolvase Hjc and Promotes Branch Migration.
J. Mol. Biol., 429, 2017
2ZJD
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BU of 2zjd by Molmil
Crystal Structure of LC3-p62 complex
Descriptor: Microtubule-associated proteins 1A/1B light chain 3B precursor, undecameric peptide from Sequestosome-1
Authors:Ichimura, Y, Kumanomidou, T, Sou, Y, Mizushima, T, Ezaki, J, Ueno, T, Kominami, E, Yamane, T, Tanaka, K, Komatsu, M.
Deposit date:2008-03-05
Release date:2008-06-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural Basis for Sorting Mechanism of p62 in Selective Autophagy
J.Biol.Chem., 283, 2008
2E32
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BU of 2e32 by Molmil
Structural basis for selection of glycosylated substrate by SCFFbs1 ubiquitin ligase
Descriptor: F-box only protein 2, S-phase kinase-associated protein 1A
Authors:Mizushima, T, Yoshida, Y, Kumanomidou, T, Hasegawa, Y, Yamane, T, Tanaka, K.
Deposit date:2006-11-20
Release date:2007-03-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.52 Å)
Cite:Structural basis for the selection of glycosylated substrates by SCFFbs1 ubiquitin ligase
Proc.Natl.Acad.Sci.Usa, 104, 2007
7N2B
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BU of 7n2b by Molmil
A DARPin semi-rigidly fused to the 3TEL crystallization chaperone
Descriptor: Transcription factor ETV6,Transcription factor ETV6,Transcription factor ETV6,3TEL-rigid-DARPin
Authors:Sarath Nawarathange, S.D, Gajjar, P, Bunn, D, Stewart, C, Doukov, T, Moody, J.D.
Deposit date:2021-05-28
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.221 Å)
Cite:Crystals of TELSAM-target protein fusions that exhibit minimal crystal contacts and lack direct inter-TELSAM contacts.
Open Biology, 12, 2022
3QJR
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BU of 3qjr by Molmil
The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus
Descriptor: CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ...
Authors:Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A.
Deposit date:2011-01-30
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B).
Biochim.Biophys.Acta, 1817, 2012
3QJS
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BU of 3qjs by Molmil
The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus
Descriptor: CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ...
Authors:Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A.
Deposit date:2011-01-30
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B).
Biochim.Biophys.Acta, 1817, 2012

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