7ZSO
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![BU of 7zso by Molmil](/molmil-images/mine/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
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![BU of 4ayu by Molmil](/molmil-images/mine/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
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![BU of 7k7t by Molmil](/molmil-images/mine/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
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![BU of 6t7y by Molmil](/molmil-images/mine/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
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![BU of 7zsl by Molmil](/molmil-images/mine/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
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![BU of 7zsm by Molmil](/molmil-images/mine/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
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![BU of 7zsn by Molmil](/molmil-images/mine/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
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![BU of 7zsp by Molmil](/molmil-images/mine/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
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![BU of 6z67 by Molmil](/molmil-images/mine/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
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![BU of 8txw by Molmil](/molmil-images/mine/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
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![BU of 8u13 by Molmil](/molmil-images/mine/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
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![BU of 8wgw by Molmil](/molmil-images/mine/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
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![BU of 4avv by Molmil](/molmil-images/mine/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
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![BU of 7b56 by Molmil](/molmil-images/mine/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
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![BU of 6t8n by Molmil](/molmil-images/mine/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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![BU of 4avs by Molmil](/molmil-images/mine/4avs) | |
6ZNQ
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![BU of 6znq by Molmil](/molmil-images/mine/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
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![BU of 8u53 by Molmil](/molmil-images/mine/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
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![BU of 8p9o by Molmil](/molmil-images/mine/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
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![BU of 6tlf by Molmil](/molmil-images/mine/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
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![BU of 8wgv by Molmil](/molmil-images/mine/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
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![BU of 7m0y by Molmil](/molmil-images/mine/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
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![BU of 7m0z by Molmil](/molmil-images/mine/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
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![BU of 8rwy by Molmil](/molmil-images/mine/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
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![BU of 8v4n by Molmil](/molmil-images/mine/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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