5YEU
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![BU of 5yeu by Molmil](/molmil-images/mine/5yeu) | Structural and mechanistic analyses reveal a unique Cas4-like protein in the mimivirus virophage resistance element system | Descriptor: | MAGNESIUM ION, Uncharacterized protein R354 | Authors: | Dou, C, Yu, M.J, Gu, Y.J, Cheng, W. | Deposit date: | 2017-09-19 | Release date: | 2018-07-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | Structural and Mechanistic Analyses Reveal a Unique Cas4-like Protein in the Mimivirus Virophage Resistance Element System. Iscience, 3, 2018
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5YET
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![BU of 5yet by Molmil](/molmil-images/mine/5yet) | Structure of R354_WT | Descriptor: | Uncharacterized protein R354 | Authors: | Dou, C, Yu, M.J, Gu, Y.J, Cheng, W. | Deposit date: | 2017-09-19 | Release date: | 2018-06-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.806 Å) | Cite: | Structural and Mechanistic Analyses Reveal a Unique Cas4-like Protein in the Mimivirus Virophage Resistance Element System. Iscience, 3, 2018
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6TL1
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![BU of 6tl1 by Molmil](/molmil-images/mine/6tl1) | Crystal structure of the TASOR pseudo-PARP domain | Descriptor: | GLYCEROL, Protein TASOR | Authors: | Douse, C.H, Timms, R.T, Freund, S.M.V, Modis, Y. | Deposit date: | 2019-11-29 | Release date: | 2020-09-16 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | TASOR is a pseudo-PARP that directs HUSH complex assembly and epigenetic transposon control. Nat Commun, 11, 2020
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5FDL
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![BU of 5fdl by Molmil](/molmil-images/mine/5fdl) | Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with IDX899 | Descriptor: | P51 Reverse transcriptase, P66 Reverse transcriptase, methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate | Authors: | Dousson, C.B, Alexandre, F.-R, Convard, T, Fisher, M, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2015-12-16 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Discovery of the Aryl-phospho-indole IDX899, a Highly Potent Anti-HIV Non-nucleoside Reverse Transcriptase Inhibitor. J.Med.Chem., 59, 2016
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4R1E
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![BU of 4r1e by Molmil](/molmil-images/mine/4r1e) | Crystal Structure of MTIP from Plasmodium falciparum in complex with a peptide-fragment chimera | Descriptor: | 5-{[(2-aminoethyl)sulfanyl]methyl}furan-2-carbaldehyde, Myosin A tail domain interacting protein, Myosin-A | Authors: | Douse, C.H, Vrielink, N, Cota, E, Tate, E.W. | Deposit date: | 2014-08-05 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Targeting a Dynamic Protein-Protein Interaction: Fragment Screening against the Malaria Myosin A Motor Complex. Chemmedchem, 10, 2015
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1YKR
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![BU of 1ykr by Molmil](/molmil-images/mine/1ykr) | Crystal structure of cdk2 with an aminoimidazo pyridine inhibitor | Descriptor: | 4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1,2-A]PYRIDIN-2-YL]AMINO}BENZENESULFONAMIDE, Cell division protein kinase 2 | Authors: | Hamdouchi, C, Zhong, B, Mendoza, J, Jaramillo, C, Zhang, F, Brooks, H.B. | Deposit date: | 2005-01-18 | Release date: | 2006-01-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design of a new class of highly selective aminoimidazo[1,2-a]pyridine-based inhibitors of cyclin dependent kinases Bioorg.Med.Chem.Lett., 15, 2005
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4EAW
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![BU of 4eaw by Molmil](/molmil-images/mine/4eaw) | HCV NS5B in complex with IDX375 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-{(1S)-3-[(5S)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide, ... | Authors: | Dousson, C.B, Paparin, J.-L, Surleraux, D, Augustin, M, Blaesse, M, Hoeppner, S, Krapp, S, Wenzkowski, C. | Deposit date: | 2012-03-22 | Release date: | 2013-03-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | HCV NS5B in complex with IDX375 To be Published
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4MZL
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![BU of 4mzl by Molmil](/molmil-images/mine/4mzl) | Crystal Structure of MTIP from Plasmodium falciparum in complex with HBS myoA, a hydrogen bond surrogate myoA helix mimetic | Descriptor: | Myosin A tail domain interacting protein, hydrogen bond surrogate (HBS) myoA helix mimetic | Authors: | Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W. | Deposit date: | 2013-09-30 | Release date: | 2013-11-06 | Last modified: | 2023-06-07 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction. Acs Chem.Biol., 8, 2014
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4MZJ
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![BU of 4mzj by Molmil](/molmil-images/mine/4mzj) | Crystal Structure of MTIP from Plasmodium falciparum in complex with pGly[801,805], a stapled myoA tail peptide | Descriptor: | Myosin A tail domain interacting protein, Myosin-A | Authors: | Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W. | Deposit date: | 2013-09-30 | Release date: | 2013-11-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.474 Å) | Cite: | Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction. Acs Chem.Biol., 8, 2014
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4MZK
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![BU of 4mzk by Molmil](/molmil-images/mine/4mzk) | Crystal Structure of MTIP from Plasmodium falciparum in complex with pGly[807,811], a stapled myoA tail peptide | Descriptor: | Myosin A tail domain interacting protein, pGly[807,811], a stapled myoA tail peptide | Authors: | Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W. | Deposit date: | 2013-09-30 | Release date: | 2013-11-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction. Acs Chem.Biol., 8, 2014
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5OFB
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![BU of 5ofb by Molmil](/molmil-images/mine/5ofb) | Crystal structure of human MORC2 (residues 1-603) with spinal muscular atrophy mutation S87L | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MORC family CW-type zinc finger protein 2, ... | Authors: | Douse, C.H, Liu, Y, Modis, Y. | Deposit date: | 2017-07-10 | Release date: | 2018-02-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Neuropathic MORC2 mutations perturb GHKL ATPase dimerization dynamics and epigenetic silencing by multiple structural mechanisms. Nat Commun, 9, 2018
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5OF9
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![BU of 5of9 by Molmil](/molmil-images/mine/5of9) | Crystal structure of human MORC2 (residues 1-603) | Descriptor: | MAGNESIUM ION, MORC family CW-type zinc finger protein 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Douse, C.H, Shamin, M, Modis, Y. | Deposit date: | 2017-07-10 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.807 Å) | Cite: | Neuropathic MORC2 mutations perturb GHKL ATPase dimerization dynamics and epigenetic silencing by multiple structural mechanisms. Nat Commun, 9, 2018
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5OFA
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![BU of 5ofa by Molmil](/molmil-images/mine/5ofa) | Crystal structure of human MORC2 (residues 1-603) with spinal muscular atrophy mutation T424R | Descriptor: | MAGNESIUM ION, MORC family CW-type zinc finger protein 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Douse, C.H, Liu, Y, Modis, Y. | Deposit date: | 2017-07-10 | Release date: | 2018-02-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Neuropathic MORC2 mutations perturb GHKL ATPase dimerization dynamics and epigenetic silencing by multiple structural mechanisms. Nat Commun, 9, 2018
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3SPD
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![BU of 3spd by Molmil](/molmil-images/mine/3spd) | Crystal structure of aprataxin ortholog Hnt3 in complex with DNA | Descriptor: | Aprataxin-like protein, DNA (5'-D(*GP*TP*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*AP*TP*GP*AP*G)-3'), DNA (5'-D(*TP*AP*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*AP*C)-3'), ... | Authors: | Gong, Y, Zhu, D, Ding, J, Dou, C, Ren, X, Jiang, T, Wang, D. | Deposit date: | 2011-07-01 | Release date: | 2011-10-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.912 Å) | Cite: | Crystal structures of aprataxin ortholog Hnt3 reveal the mechanism for reversal of 5'-adenylated DNA Nat.Struct.Mol.Biol., 18, 2011
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3SPL
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![BU of 3spl by Molmil](/molmil-images/mine/3spl) | Crystal structure of aprataxin ortholog Hnt3 in complex with DNA and AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Aprataxin-like protein, DNA (5'-D(*GP*TP*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*AP*TP*GP*AP*G)-3'), ... | Authors: | Gong, Y, Zhu, D, Ding, J, Dou, C, Ren, X, Jiang, T, Wang, D. | Deposit date: | 2011-07-02 | Release date: | 2011-10-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Crystal structures of aprataxin ortholog Hnt3 reveal the mechanism for reversal of 5'-adenylated DNA Nat.Struct.Mol.Biol., 18, 2011
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3SP4
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![BU of 3sp4 by Molmil](/molmil-images/mine/3sp4) | Crystal structure of aprataxin ortholog Hnt3 from Schizosaccharomyces pombe | Descriptor: | Aprataxin-like protein, SULFATE ION, ZINC ION | Authors: | Gong, Y, Zhu, D, Ding, J, Dou, C, Ren, X, Jiang, T, Wang, D. | Deposit date: | 2011-07-01 | Release date: | 2011-10-12 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of aprataxin ortholog Hnt3 reveal the mechanism for reversal of 5'-adenylated DNA Nat.Struct.Mol.Biol., 18, 2011
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5ZW6
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![BU of 5zw6 by Molmil](/molmil-images/mine/5zw6) | Structure of spAimR | Descriptor: | AimR transcriptional regulator, GLY-MET-PRO-ARG-GLY-ALA | Authors: | Cheng, W, Dou, C. | Deposit date: | 2018-05-14 | Release date: | 2018-09-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities. Nat Microbiol, 3, 2018
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5ZVV
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![BU of 5zvv by Molmil](/molmil-images/mine/5zvv) | Structure of SeMet-phAimR | Descriptor: | AimR transcriptional regulator, GLYCEROL | Authors: | Cheng, W, Dou, C. | Deposit date: | 2018-05-13 | Release date: | 2018-09-05 | Last modified: | 2019-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities. Nat Microbiol, 3, 2018
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5ZW5
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![BU of 5zw5 by Molmil](/molmil-images/mine/5zw5) | Structure of SeMet-spAimR | Descriptor: | AimR transcriptional regulator | Authors: | Cheng, W, Dou, C. | Deposit date: | 2018-05-14 | Release date: | 2018-08-29 | Last modified: | 2019-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities. Nat Microbiol, 3, 2018
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5ZVW
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![BU of 5zvw by Molmil](/molmil-images/mine/5zvw) | Structure of phAimR-Ligand | Descriptor: | AimR transcriptional regulator, SER-ALA-ILE-ARG-GLY-ALA | Authors: | Cheng, W, Dou, C. | Deposit date: | 2018-05-13 | Release date: | 2018-09-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.292 Å) | Cite: | Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities. Nat Microbiol, 3, 2018
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5XUO
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![BU of 5xuo by Molmil](/molmil-images/mine/5xuo) | |
7E23
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![BU of 7e23 by Molmil](/molmil-images/mine/7e23) | SARS-CoV-2 spike in complex with the CA521 neutralizing antibody Fab (focused refinement on Fab-RBD) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CA521 Heavy Chain, CA521 Light Chain, ... | Authors: | Liu, C, Song, D, Dou, C. | Deposit date: | 2021-02-04 | Release date: | 2021-05-05 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure and function analysis of a potent human neutralizing antibody CA521 FALA against SARS-CoV-2. Commun Biol, 4, 2021
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8CJ2
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![BU of 8cj2 by Molmil](/molmil-images/mine/8cj2) | Urea-based foldamer inhibitor c3u_5 chimera in complex with ASF1 histone chaperone | Descriptor: | GLYCEROL, Histone chaperone ASF1A, SULFATE ION, ... | Authors: | Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G. | Deposit date: | 2023-02-11 | Release date: | 2023-07-05 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.127 Å) | Cite: | Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach. Chem.Commun.(Camb.), 59, 2023
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8CJ1
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![BU of 8cj1 by Molmil](/molmil-images/mine/8cj1) | Urea-based foldamer inhibitor c3u_3 chimera in complex with ASF1 histone chaperone | Descriptor: | Histone chaperone ASF1A, c3u_3 chimera inhibitor of histone chaperone ASF1 | Authors: | Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G. | Deposit date: | 2023-02-11 | Release date: | 2023-07-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.564 Å) | Cite: | Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach. Chem.Commun.(Camb.), 59, 2023
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8CJ3
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![BU of 8cj3 by Molmil](/molmil-images/mine/8cj3) | Urea-based foldamer inhibitor c3u_7 chimera in complex with ASF1 histone chaperone | Descriptor: | Histone chaperone ASF1A, c3u_7 chimera inhibitor of histone chaperone ASF1 | Authors: | Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G. | Deposit date: | 2023-02-11 | Release date: | 2023-07-05 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach. Chem.Commun.(Camb.), 59, 2023
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