7ZSO
 
 | | human purine nucleoside phosphorylase in complex with JS-554 | | Descriptor: | GLYCEROL, Purine nucleoside phosphorylase, SODIUM ION, ... | | Authors: | Djukic, S, Pachl, P, Rezacova, P. | | Deposit date: | 2022-05-07 | | Release date: | 2023-05-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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4AYU
 | | Structure of N-Acetyl-D-Proline bound to serum amyloid P component | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Hughes, P, Kolstoe, S.E, Wood, S.P. | | Deposit date: | 2012-06-22 | | Release date: | 2013-07-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Interaction of Serum Amyloid P Component with Hexanoyl Bis(D-Proline) (Cphpc)
Acta Crystallogr.,Sect.D, 70, 2014
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7K7T
 | | Crystal structure of human MORC4 ATPase-CW in complex with AMPPNP | | Descriptor: | Isoform 3 of MORC family CW-type zinc finger protein 4, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Klein, B.J, Tencer, A.H, Kutateladze, T.G. | | Deposit date: | 2020-09-24 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Molecular mechanism of the MORC4 ATPase activation.
Nat Commun, 11, 2020
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6T7Y
 | | Structure of PCNA bound to cPIP motif of DP2 from P. abyssi | | Descriptor: | DNA polymerase sliding clamp, cPIP motif from the DP2 large subunit of PolD | | Authors: | Madru, C, Raia, P, Hugonneau Beaufet, I, Delarue, M, Carroni, M, Sauguet, L. | | Deposit date: | 2019-10-23 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for the increased processivity of D-family DNA polymerases in complex with PCNA.
Nat Commun, 11, 2020
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7ZSL
 | | human purine nucleoside phosphorylase in complex with JS-196 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Purine nucleoside phosphorylase, ... | | Authors: | Djukic, S, Pachl, P, Rezacova, P. | | Deposit date: | 2022-05-07 | | Release date: | 2023-05-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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7ZSM
 | | human purine nucleoside phosphorylase in complex with JS-375 | | Descriptor: | CHLORIDE ION, Purine nucleoside phosphorylase, SULFATE ION, ... | | Authors: | Djukic, S, Pachl, P, Rezacova, P. | | Deposit date: | 2022-05-07 | | Release date: | 2023-05-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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7ZSN
 | | human purine nucleoside phosphorylase in complex with JS-379 | | Descriptor: | 6-tungstotellurate(VI), Purine nucleoside phosphorylase, SULFATE ION, ... | | Authors: | Djukic, S, Pachl, P, Rezacova, P. | | Deposit date: | 2022-05-07 | | Release date: | 2023-05-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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7ZSP
 | | human purine nucleoside phosphorylase in complex with JS-555 | | Descriptor: | 6-tungstotellurate(VI), Purine nucleoside phosphorylase, SODIUM ION, ... | | Authors: | Djukic, S, Pachl, P, Rezacova, P. | | Deposit date: | 2022-05-08 | | Release date: | 2023-05-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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6Z67
 | | FtsE structure of Streptococcus pneumoniae in complex with AMPPNP at 2.4 A resolution | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Alcorlo, M, Straume, D, Havarstein, L.S, Hermoso, j.A. | | Deposit date: | 2020-05-28 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Characterization of the Essential Cell Division Protein FtsE and Its Interaction with FtsX in Streptococcus pneumoniae.
Mbio, 11, 2020
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8TXW
 | | Cryo-EM structure of the human nucleosome core particle ubiquitylated at histone H2A K15 in complex with RNF168 (Class 2) | | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | | Deposit date: | 2023-08-24 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
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8U13
 | | Cryo-EM structure of the human nucleosome core particle ubiquitylated at histone H2A lysine 15 in complex with RNF168-UbcH5c (class 1) | | Descriptor: | DNA (146-MER), DNA (147-MER), E3 ubiquitin-protein ligase RNF168, ... | | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | | Deposit date: | 2023-08-30 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
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8WGW
 | | Local refinement of RBD-ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Wei, X, Zhang, Z. | | Deposit date: | 2023-09-22 | | Release date: | 2024-02-28 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
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4AVV
 | | Structure of CPHPC bound to Serum Amyloid P Component | | Descriptor: | (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kolstoe, S.E, Jenvey, M.C, Wood, S.P. | | Deposit date: | 2012-05-29 | | Release date: | 2013-06-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Interaction of Serum Amyloid P Component with Hexanoyl Bis(D-Proline) (Cphpc)
Acta Crystallogr.,Sect.D, 70, 2014
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7B56
 | | Crystal structure of CaMKII-actinin complex bound to AMPPNP | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha-actinin-2, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ... | | Authors: | Zhu, J, Gold, M. | | Deposit date: | 2020-12-03 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of CaMKII-actinin complex bound to MES
To Be Published
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6T8N
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 | | Descriptor: | 1,2-ETHANEDIOL, Activin receptor type I, DIMETHYL SULFOXIDE, ... | | Authors: | Adamson, R.J, Williams, E.P, Bonomo, S, Rankin, S, Bacos, D, Rae, A, Cramp, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2019-10-24 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007
To Be Published
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4AVS
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6ZNQ
 | | Crystal Structure of DUF1998 helicase MrfA bound to DNA and AMPPNP | | Descriptor: | CITRIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Uncharacterized ATP-dependent helicase YprA, ... | | Authors: | Roske, J.J, Liu, S, Loll, B, Neu, U, Wahl, M.C. | | Deposit date: | 2020-07-06 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.34 Å) | | Cite: | A skipping rope translocation mechanism in a widespread family of DNA repair helicases.
Nucleic Acids Res., 49, 2021
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8U53
 | | Mechanically activated ion channel OSCA3.1 in nanodiscs | | Descriptor: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CSC1-like protein ERD4, PALMITIC ACID, ... | | Authors: | Jojoa-Cruz, S, Lee, W.H, Ward, A.B. | | Deposit date: | 2023-09-12 | | Release date: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structure-guided mutagenesis of OSCAs reveals differential activation to mechanical stimuli.
Elife, 12, 2024
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8P9O
 | | PCNA from Chaetomium thermophilum in complex with PolD3 peptide | | Descriptor: | Proliferating cell nuclear antigen, Synthetic peptide corresponding to amino acids 437 to 451 of PolD3 from Chaetomium thermophilum | | Authors: | Alphey, M.S, Wolford, C.B, MacNeill, S.A. | | Deposit date: | 2023-06-06 | | Release date: | 2023-12-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Canonical binding of Chaetomium thermophilum DNA polymerase delta / zeta subunit PolD3 and flap endonuclease Fen1 to PCNA.
Front Mol Biosci, 10, 2023
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6TLF
 | | human 14-3-3 sigma isoform in complex with IMP | | Descriptor: | 14-3-3 protein sigma, INOSINIC ACID, SULFATE ION | | Authors: | Tassone, G, Pozzi, C, Mangani, S. | | Deposit date: | 2019-12-02 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction.
Acs Chem.Biol., 15, 2020
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8WGV
 | | BA.2(S375) Spike (S6P)/hACE2 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Wei, X, Zhang, Z. | | Deposit date: | 2023-09-22 | | Release date: | 2024-02-28 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
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7M0Y
 | | Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Trametinib | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J. | | Deposit date: | 2021-03-11 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7M0Z
 | | Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and CH5126766 | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide, ... | | Authors: | Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J. | | Deposit date: | 2021-03-11 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8RWY
 | | DtpB hexamer from Streptomyces lividans | | Descriptor: | Dyp-type peroxidase family, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Worrall, J.A.R, Chaplin, A.K, Allport, T. | | Deposit date: | 2024-02-05 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | The oligomeric states of dye-decolorizing peroxidases from Streptomyces lividans and their implications for mechanism of substrate oxidation.
Protein Sci., 33, 2024
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8V4N
 | | Myxococcus xanthus EncA 3xHis pore mutant with T=1 icosahedral symmetry | | Descriptor: | Type 1 encapsulin shell protein EncA | | Authors: | Szyszka, T.N, Andreas, M.P, Lie, F, Miller, L.M, Adamson, L.S.R, Fatehi, F, Twarock, R, Draper, B.E, Jarrold, M.F, Giessen, T.W, Lau, Y.H. | | Deposit date: | 2023-11-29 | | Release date: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.43 Å) | | Cite: | Point mutation in a virus-like capsid drives symmetry reduction to form tetrahedral cages.
Proc.Natl.Acad.Sci.USA, 121, 2024
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