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PDB: 17122 results

7JYP
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BU of 7jyp by Molmil
Structure of thioredoxin reductase from the thermophilic eubacterium Thermosipho africanus TCF52B
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Thioredoxin reductase
Authors:Sahtout, N, Kuttiyatveetil, J.R.A, Sanders, D.A.R.
Deposit date:2020-08-31
Release date:2021-10-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of thioredoxin reductase from the thermophilic eubacterium Thermosipho africanus TCF52B.
To be Published
6F2Y
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BU of 6f2y by Molmil
Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) in complex with Ap4A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, ...
Authors:Dohler, C, Zebisch, M, Strater, N.
Deposit date:2017-11-27
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3).
Sci Rep, 8, 2018
6F4J
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Crystal structure of Drosophila melanogaster SNF/U2A' complex
Descriptor: POLYETHYLENE GLYCOL (N=34), Probable U2 small nuclear ribonucleoprotein A', SULFATE ION, ...
Authors:Weber, G, DeKoster, G, Holton, N, Hall, K.B, Wahl, M.C.
Deposit date:2017-11-29
Release date:2018-06-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Molecular principles underlying dual RNA specificity in the Drosophila SNF protein.
Nat Commun, 9, 2018
6X93
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BU of 6x93 by Molmil
Interleukin-10 signaling complex with IL-10RA and IL-10RB
Descriptor: Interleukin-10, Interleukin-10 receptor subunit alpha, Interleukin-10 receptor subunit beta
Authors:Saxton, R.A, Tsutsumi, N, Gati, C, Garcia, K.C.
Deposit date:2020-06-02
Release date:2021-03-17
Last modified:2021-03-31
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure-based decoupling of the pro- and anti-inflammatory functions of interleukin-10.
Science, 371, 2021
6FIW
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BU of 6fiw by Molmil
Human cytosolic 5'-nucleotidase II co-crystallized with 10mM Sodium ((4-(3'-((7H-purin-6-yl)carbamoyl)-[1,1'-biphenyl]-3-yl)-1H-imidazol-1-yl) methyl) phosphonate
Descriptor: Cytosolic purine 5'-nucleotidase, GLYCEROL, MAGNESIUM ION, ...
Authors:Aghajari, N, Preeti, P.
Deposit date:2018-01-19
Release date:2019-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Lead optimization and biological evaluation of fragment-based cN-II inhibitors.
Eur J Med Chem, 168, 2019
8TAR
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BU of 8tar by Molmil
APC/C-CDH1-UBE2C-Ubiquitin-CyclinB-NTD
Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
Authors:Bodrug, T, Welsh, K.A, Bolhuis, D.L, Paulakonis, E, Martinez-Chacin, R.C, Liu, B, Pinkin, N, Bonacci, T, Cui, L, Xu, P, Roscow, O, Amann, S.J, Grishkovskaya, I, Emanuele, M.J, Harrison, J.S, Steimel, J.P, Hahn, K.M, Zhang, W, Zhong, E, Haselbach, D, Brown, N.G.
Deposit date:2023-06-27
Release date:2023-09-27
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Time-resolved cryo-EM (TR-EM) analysis of substrate polyubiquitination by the RING E3 anaphase-promoting complex/cyclosome (APC/C).
Nat.Struct.Mol.Biol., 30, 2023
5V9J
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BU of 5v9j by Molmil
Crystal structure of catalytic domain of GLP with MS0105
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase EHMT1, ...
Authors:Dong, A, Zeng, H, Liu, J, Xiong, Y, Babault, N, Jin, J, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Wu, H, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2017-03-23
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of catalytic domain of GLP with MS0105
to be published
8TDU
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BU of 8tdu by Molmil
STX-478, a Mutant-Selective, Allosteric Inhibitor bound to PI3Kalpha
Descriptor: N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Hilbert, B.J, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J.
Deposit date:2023-07-05
Release date:2023-09-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts.
Cancer Discov, 13, 2023
8TAU
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BU of 8tau by Molmil
APC/C-CDH1-UBE2C-UBE2S-Ubiquitin-CyclinB
Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
Authors:Bodrug, T, Welsh, K.A, Bolhuis, D.L, Paulakonis, E, Martinez-Chacin, R.C, Liu, B, Pinkin, N, Bonacci, T, Cui, L, Xu, P, Roscow, O, Amann, S.J, Grishkovskaya, I, Emanuele, M.J, Harrison, J.S, Steimel, J.P, Hahn, K.M, Zhang, W, Zhong, E, Haselbach, D, Brown, N.G.
Deposit date:2023-06-27
Release date:2023-09-27
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Time-resolved cryo-EM (TR-EM) analysis of substrate polyubiquitination by the RING E3 anaphase-promoting complex/cyclosome (APC/C).
Nat.Struct.Mol.Biol., 30, 2023
5UJ1
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BU of 5uj1 by Molmil
Crystal structure of Mycobacterium tuberculosis Topoisomerase I at 2.15A resolution limit
Descriptor: DNA topoisomerase 1, SULFATE ION
Authors:Cao, N, Tan, K, Tse-Dinh, Y.C.
Deposit date:2017-01-16
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Investigating mycobacterial topoisomerase I mechanism from the analysis of metal and DNA substrate interactions at the active site.
Nucleic Acids Res., 46, 2018
6FDD
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BU of 6fdd by Molmil
Crystal Structure of the HHD2 Domain of Whirlin
Descriptor: SULFATE ION, Whirlin
Authors:Delhommel, F, Cordier, F, Saul, F, Haouz, A, Wolff, N.
Deposit date:2017-12-22
Release date:2018-08-08
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural plasticity of the HHD2 domain of whirlin.
FEBS J., 285, 2018
6EXZ
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BU of 6exz by Molmil
Crystal structure of Mex67 C-term
Descriptor: FORMIC ACID, mRNA export factor MEX67
Authors:Mohamad, N, Bravo, J.
Deposit date:2017-11-10
Release date:2018-11-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Mip6 binds directly to the Mex67 UBA domain to maintain low levels of Msn2/4 stress-dependent mRNAs.
Embo Rep., 2019
6FEJ
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BU of 6fej by Molmil
Anabaena Apo-C-Terminal Domain Homolog Protein
Descriptor: All4940 protein, UREA
Authors:Harris, D, Wilson, A, Muzzopappa, F, Kirilovsky, D, Adir, N.
Deposit date:2018-01-02
Release date:2018-07-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural rearrangements in the C-terminal domain homolog of Orange Carotenoid Protein are crucial for carotenoid transfer.
Commun Biol, 1, 2018
6XO2
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BU of 6xo2 by Molmil
Structural Characterization of Beta Cyanoalanine Synthase from Tetranychus Urticae (two-spotted spider mite)
Descriptor: ACETATE ION, Beta-cyanoalanine synthase, PYRIDOXAL-5'-PHOSPHATE
Authors:Daneshian, L, Schlachter, C, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M.
Deposit date:2020-07-06
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and functional characterization of beta-cyanoalanine synthase from Tetranychus urticae.
Insect Biochem.Mol.Biol., 142, 2022
6FFB
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BU of 6ffb by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant S205 - mutant Q148A - in complex with a nonsteroidal inhibitor
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
Authors:Bertoletti, N, Heine, A, Klebe, G, Marchais-Oberwinkler, S.
Deposit date:2018-01-05
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Mutational and structural studies uncover crucial amino acids determining activity and stability of 17 beta-HSD14.
J.Steroid Biochem.Mol.Biol., 189, 2019
5UQH
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BU of 5uqh by Molmil
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with inhibitor p182
Descriptor: 1,2-ETHANEDIOL, INOSINIC ACID, ISOPROPYL ALCOHOL, ...
Authors:Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-02-08
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the presence of TBK6
To Be Published
5VE5
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BU of 5ve5 by Molmil
Crystal structure of persulfide dioxygenase rhodanese fusion protein with rhodanese domain inactivating mutation (C314S) from Burkholderia phytofirmans in complex with glutathione
Descriptor: BpPRF, CHLORIDE ION, FE (III) ION, ...
Authors:Motl, N, Skiba, M.A, Smith, J.L, Banerjee, R.
Deposit date:2017-04-03
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and biochemical analyses indicate that a bacterial persulfide dioxygenase-rhodanese fusion protein functions in sulfur assimilation.
J. Biol. Chem., 292, 2017
5VK0
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BU of 5vk0 by Molmil
Crystal structure of human MDM2 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, Lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2017-04-20
Release date:2018-04-25
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dithiocarbamate-inspired side chain stapling chemistry for peptide drug design.
Chem Sci, 10, 2019
6FAQ
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BU of 6faq by Molmil
Structure of H. salinarum RosR (vng0258) grown from KBr
Descriptor: BROMIDE ION, DNA binding protein, SULFATE ION
Authors:Shaanan, B, Kutnowski, N.
Deposit date:2017-12-16
Release date:2018-08-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The 3-D structure of VNG0258H/RosR - A haloarchaeal DNA-binding protein in its ionic shell.
J. Struct. Biol., 204, 2018
5VU5
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BU of 5vu5 by Molmil
TNA polymerase, apo
Descriptor: DNA polymerase
Authors:Chim, N, Chaput, J.C.
Deposit date:2017-05-18
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for TNA synthesis by an engineered TNA polymerase.
Nat Commun, 8, 2017
6FDH
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BU of 6fdh by Molmil
Structure of H. salinarum RosR (vng0258) grown from KCl
Descriptor: CHLORIDE ION, DNA binding protein, SULFATE ION
Authors:Shaanan, B, Kutnowski, N.
Deposit date:2017-12-23
Release date:2018-08-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The 3-D structure of VNG0258H/RosR - A haloarchaeal DNA-binding protein in its ionic shell.
J. Struct. Biol., 204, 2018
5VK1
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BU of 5vk1 by Molmil
Crystal structure of human MDM4 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
Descriptor: Lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI, Protein Mdm4
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2017-04-20
Release date:2018-04-25
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Dithiocarbamate-inspired side chain stapling chemistry for peptide drug design.
Chem Sci, 10, 2019
6XCT
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BU of 6xct by Molmil
Porcine pepsin in complex with amprenavir
Descriptor: Pepsin A, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Authors:Vuksanovic, N, Silvaggi, N.R.
Deposit date:2020-06-09
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Porcine pepsin in complex with amprenavir
To Be Published
6XCZ
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Porcine pepsin in complex with saquinavir
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Pepsin A
Authors:Vuksanovic, N, Silvaggi, N.R.
Deposit date:2020-06-09
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Porcine pepsin in complex with saquinavir
To Be Published
6XCY
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Porcine pepsin in complex with ritonavir
Descriptor: Pepsin A, RITONAVIR
Authors:Vuksanovic, N, Silvaggi, N.R.
Deposit date:2020-06-09
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Porcine pepsin in complex with ritonavir
To Be Published

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