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PDB: 53266 results

8AQW
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BA.4/5 SARS-CoV-2 Spike bound to mouse ACE2 (local)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ...
Authors:Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E.
Deposit date:2022-08-13
Release date:2023-03-15
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range.
Plos Pathog., 19, 2023
5LSW
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BU of 5lsw by Molmil
A CAF40-binding motif facilitates recruitment of the CCR4-NOT complex to mRNAs targeted by Drosophila Roquin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell differentiation protein RCD1 homolog, LD12033p, ...
Authors:Sgromo, A, Raisch, T, Bawankar, P, Bhandari, D, Chen, Y, Kuzuoglu-Ozturk, D, Weichenrieder, O, Izaurralde, E.
Deposit date:2016-09-05
Release date:2017-02-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A CAF40-binding motif facilitates recruitment of the CCR4-NOT complex to mRNAs targeted by Drosophila Roquin.
Nat Commun, 8, 2017
7U6A
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Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 3-thienylmethyl Benzhydroxamic Acid Inhibitor
Descriptor: 1,2-ETHANEDIOL, N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide, PHOSPHATE ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2022-03-03
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells.
Eur.J.Med.Chem., 234, 2022
8DMA
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Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with mouse ACE2 (focused refinement of RBD and ACE2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S.
Deposit date:2022-07-08
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein.
Cell Rep, 42, 2023
7U6B
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BU of 7u6b by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Indolethyl Piperidine-4-acrylhydroxamic Acid Inhibitor
Descriptor: (2E)-N-hydroxy-3-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2022-03-03
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells.
Eur.J.Med.Chem., 234, 2022
8DM6
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Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein in complex with human ACE2 (focused refinement of RBD and ACE2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S.
Deposit date:2022-07-08
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein.
Cell Rep, 42, 2023
7A22
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BU of 7a22 by Molmil
Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-triazolo[4,5-b]pyridine
Descriptor: 1,2-ETHANEDIOL, 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha'
Authors:Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P.
Deposit date:2020-08-15
Release date:2020-12-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
6MPM
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Racemic M2-TM I42A crystallized from racemic detergent
Descriptor: Matrix protein 2, octyl beta-D-glucopyranoside
Authors:Kreitler, D.F, Yao, Z, Mortenson, D.E, Forest, K.T, Gellman, S.H.
Deposit date:2018-10-07
Release date:2019-01-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation.
J. Am. Chem. Soc., 141, 2019
8DM8
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BU of 8dm8 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein in complex with mouse ACE2 (focused refinement of RBD and ACE2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S.
Deposit date:2022-07-08
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein.
Cell Rep, 42, 2023
7A4B
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BU of 7a4b by Molmil
Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine
Descriptor: 5,6-dibromo-1H-triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, GLYCEROL, ...
Authors:Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P.
Deposit date:2020-08-19
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
6N00
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BU of 6n00 by Molmil
Fluoroacetate dehalogenase, room temperature structure, using last 1 degree of total 3 degree oscillation and 144 kGy dose
Descriptor: CALCIUM ION, Fluoroacetate dehalogenase
Authors:Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D.
Deposit date:2018-11-06
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
8UC4
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BU of 8uc4 by Molmil
Apo X-ray crystal structure of Cyclophilin D with a surface entropy reduction mutation (K175I)
Descriptor: DI(HYDROXYETHYL)ETHER, POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Kreitler, D.F, Rangwala, A.M, Seeliger, M.A.
Deposit date:2023-09-25
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Apo X-ray crystal structure of Cyclophilin D with a surface entropy reduction mutation (K175I)
To Be Published
8QAD
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BU of 8qad by Molmil
X-ray crystal structure of a de novo designed single-chain antiparallel 6-helix coiled-coil alpha-helical barrel, sc-apCC-6-LLIA
Descriptor: DODECAETHYLENE GLYCOL, sc-apCC-6-LLIA
Authors:Albanese, K.I, Petrenas, R, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
6FWG
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BU of 6fwg by Molmil
Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with tetramannoside yeast mannan fragment
Descriptor: ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside
Authors:Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2018-03-06
Release date:2019-09-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
6MTP
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BU of 6mtp by Molmil
Crystal structure of VRC42.04 Fab in complex with gp41 peptide
Descriptor: Antibody VRC42.04 Fab heavy chain, Antibody VRC42.04 Fab light chain, RV217 founder virus gp41 peptide
Authors:Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D.
Deposit date:2018-10-21
Release date:2019-03-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.036 Å)
Cite:Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
6UXO
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BU of 6uxo by Molmil
Crystal structure of BAK core domain BH3-groove-dimer in complex with DDM
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Bcl-2 homologous antagonist/killer, ...
Authors:Cowan, A.D, Colman, P.M, Czabotar, P.E.
Deposit date:2019-11-07
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
6UOL
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BU of 6uol by Molmil
Y271G DNA polymerase beta substrate complex with a templating cytosine and incoming rGTP
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:Smith, M.R, Freudenthal, B.D.
Deposit date:2019-10-15
Release date:2020-01-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.936 Å)
Cite:Molecular and structural characterization of oxidized ribonucleotide insertion into DNA by human DNA polymerase beta.
J.Biol.Chem., 295, 2020
8QAF
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BU of 8qaf by Molmil
X-ray crystal structure of a de novo designed single-chain antiparallel 8-helix coiled-coil alpha-helical barrel, sc-apCC-8
Descriptor: sc-apCC-8
Authors:Albanese, K.I, Petrenas, R, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
6WCD
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BU of 6wcd by Molmil
Crystal Structure of Xenopus laevis APE2 Catalytic Domain
Descriptor: 1,2-ETHANEDIOL, 1,4-BUTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Wojtaszek, J.L, Wallace, B.D, Williams, R.S.
Deposit date:2020-03-30
Release date:2020-05-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Endogenous DNA 3' Blocks Are Vulnerabilities for BRCA1 and BRCA2 Deficiency and Are Reversed by the APE2 Nuclease.
Mol.Cell, 78, 2020
7UG7
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BU of 7ug7 by Molmil
70S ribosome complex in an intermediate state of translocation bound to EF-G(GDP) stalled by Argyrin B
Descriptor: 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ...
Authors:Rundlet, E.J, Wieland, M, Holm, M, Koller, T.O, Blanchard, S.C, Wilson, D.N.
Deposit date:2022-03-24
Release date:2022-05-18
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:The cyclic octapeptide antibiotic argyrin B inhibits translation by trapping EF-G on the ribosome during translocation.
Proc.Natl.Acad.Sci.USA, 119, 2022
8QI9
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BU of 8qi9 by Molmil
CrPhotLOV1 dark state structure determined by serial synchrotron crystallography at room temperature
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin
Authors:Gotthard, G, Mous, S, Weinert, T, Maia, R.N.A, James, D, Dworkowski, F, Gashi, D, Antonia, F, Wang, M, Panepucci, E, Ozerov, D, Schertler, G.F.X, Heberle, J, Standfuss, J, Nogly, P.
Deposit date:2023-09-11
Release date:2024-07-24
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Capturing the blue-light activated state of the Phot-LOV1 domain from Chlamydomonas reinhardtii using time-resolved serial synchrotron crystallography.
Iucrj, 2024
8QIN
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CrPhotLOV1 light state structure 47.5 ms (45-50 ms) after illumination determined by time-resolved serial synchrotron crystallography at room temperature
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin
Authors:Gotthard, G, Mous, S, Weinert, T, Maia, R.N.A, James, D, Dworkowski, F, Gashi, D, Antonia, F, Wang, M, Panepucci, E, Ozerov, D, Schertler, G.F.X, Heberle, J, Standfuss, J, Nogly, P.
Deposit date:2023-09-12
Release date:2024-07-24
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Capturing the blue-light activated state of the Phot-LOV1 domain from Chlamydomonas reinhardtii using time-resolved serial synchrotron crystallography.
Iucrj, 2024
8QI8
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BU of 8qi8 by Molmil
Cryogenic temperature dark state structure of CrPhotLOV1
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin
Authors:Gotthard, G, Mous, S, Weinert, T, Maia, R.N.A, James, D, Dworkowski, F, Gashi, D, Antonia, F, Wang, M, Panepucci, E, Ozerov, D, Schertler, G.F.X, Heberle, J, Standfuss, J, Nogly, P.
Deposit date:2023-09-11
Release date:2024-07-24
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Capturing the blue-light activated state of the Phot-LOV1 domain from Chlamydomonas reinhardtii using time-resolved serial synchrotron crystallography.
Iucrj, 2024
8QIP
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CrPhotLOV1 light state structure 57.5 ms (55-60 ms) after illumination determined by time-resolved serial synchrotron crystallography at room temperature
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin
Authors:Gotthard, G, Mous, S, Weinert, T, Maia, R.N.A, James, D, Dworkowski, F, Gashi, D, Antonia, F, Wang, M, Panepucci, E, Ozerov, D, Schertler, G.F.X, Heberle, J, Standfuss, J, Nogly, P.
Deposit date:2023-09-12
Release date:2024-07-24
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Capturing the blue-light activated state of the Phot-LOV1 domain from Chlamydomonas reinhardtii using time-resolved serial synchrotron crystallography.
Iucrj, 2024
8QIH
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BU of 8qih by Molmil
CrPhotLOV1 light state structure 22.5 ms (20-25 ms) after illumination determined by time-resolved serial synchrotron crystallography at room temperature
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin
Authors:Gotthard, G, Mous, S, Weinert, T, Maia, R.N.A, James, D, Dworkowski, F, Gashi, D, Antonia, F, Wang, M, Panepucci, E, Ozerov, D, Schertler, G.F.X, Heberle, J, Standfuss, J, Nogly, P.
Deposit date:2023-09-12
Release date:2024-07-24
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Capturing the blue-light activated state of the Phot-LOV1 domain from Chlamydomonas reinhardtii using time-resolved serial synchrotron crystallography.
Iucrj, 2024

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