8ILE
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![BU of 8ile by Molmil](/molmil-images/mine/8ile) | The crystal structure of dGTPalphaSe-Rp:DNApre-II:Pol X substrate ternary complex | Descriptor: | DNA (5'-D(*CP*TP*GP*GP*AP*TP*CP*CP*A)-3'), MANGANESE (II) ION, Repair DNA polymerase X, ... | Authors: | Qin, T, Gan, J.H, Huang, Z. | Deposit date: | 2023-03-03 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom. Int J Mol Sci, 24, 2023
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8ILG
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![BU of 8ilg by Molmil](/molmil-images/mine/8ilg) | The crystal structure of dG-DNA:Pol X product binary complex | Descriptor: | DNA (5'-D(*CP*GP*GP*AP*TP*CP*CP*G)-3'), FORMIC ACID, MANGANESE (II) ION, ... | Authors: | Qin, T, Gan, J.H, Huang, Z. | Deposit date: | 2023-03-03 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.805 Å) | Cite: | Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom. Int J Mol Sci, 24, 2023
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8ILF
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![BU of 8ilf by Molmil](/molmil-images/mine/8ilf) | The crystal structure of dGTPalphaSe-Sp:DNApre-II:Pol X substrate ternary complex | Descriptor: | DNA (5'-D(*CP*TP*GP*GP*AP*TP*CP*CP*A)-3'), MANGANESE (II) ION, Repair DNA polymerase X, ... | Authors: | Qin, T, Zhao, Q.W, Gan, J.H, Huang, Z. | Deposit date: | 2023-03-03 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom. Int J Mol Sci, 24, 2023
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4MZ9
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![BU of 4mz9 by Molmil](/molmil-images/mine/4mz9) | Revised structure of E. coli SSB | Descriptor: | Single-stranded DNA-binding protein | Authors: | Oakley, A.J. | Deposit date: | 2013-09-29 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Intramolecular binding mode of the C-terminus of Escherichia coli single-stranded DNA binding protein determined by nuclear magnetic resonance spectroscopy. Nucleic Acids Res., 42, 2014
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7EAM
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![BU of 7eam by Molmil](/molmil-images/mine/7eam) | immune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 7D6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ... | Authors: | Li, T.T, Gu, Y, Li, S.W. | Deposit date: | 2021-03-07 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Cross-neutralizing antibodies bind a SARS-CoV-2 cryptic site and resist circulating variants. Nat Commun, 12, 2021
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7EBZ
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![BU of 7ebz by Molmil](/molmil-images/mine/7ebz) | EV-D68 in complex with 2H12 Fab (state S1) | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Xu, C, Cong, Y. | Deposit date: | 2021-03-11 | Release date: | 2021-03-31 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Functional and structural characterization of a two-MAb cocktail for delayed treatment of enterovirus D68 infections. Nat Commun, 12, 2021
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7ECY
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![BU of 7ecy by Molmil](/molmil-images/mine/7ecy) | EV-D68 in complex with 2H12 Fab (State 3) | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Xu, C, Cong, Y. | Deposit date: | 2021-03-13 | Release date: | 2021-03-31 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Functional and structural characterization of a two-MAb cocktail for delayed treatment of enterovirus D68 infections. Nat Commun, 12, 2021
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8J2M
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![BU of 8j2m by Molmil](/molmil-images/mine/8j2m) | The truncated rice Na+/H+ antiporter SOS1 (1-976) in a constitutively active state | Descriptor: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate, Na+/H+ antiporter | Authors: | Zhang, X.Y, Tang, L.H, Zhang, C.R, Nie, J.W. | Deposit date: | 2023-04-14 | Release date: | 2023-11-22 | Last modified: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure and activation mechanism of the rice Salt Overly Sensitive 1 (SOS1) Na + /H + antiporter. Nat.Plants, 9, 2023
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8IWO
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![BU of 8iwo by Molmil](/molmil-images/mine/8iwo) | The rice Na+/H+ antiporter SOS1 in an auto-inhibited state | Descriptor: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate, OsSOS1 | Authors: | Zhang, X.Y, Tang, L.H, Zhang, C.R, Nie, J.W. | Deposit date: | 2023-03-30 | Release date: | 2023-11-22 | Last modified: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Structure and activation mechanism of the rice Salt Overly Sensitive 1 (SOS1) Na + /H + antiporter. Nat.Plants, 9, 2023
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3M3Z
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![BU of 3m3z by Molmil](/molmil-images/mine/3m3z) | Crystal structure of HSC70/BAG1 in complex with small molecule inhibitor | Descriptor: | 5'-O-(2-amino-2-oxoethyl)-8-(methylamino)adenosine, BAG family molecular chaperone regulator 1, Heat shock cognate 71 kDa protein | Authors: | Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S. | Deposit date: | 2010-03-10 | Release date: | 2011-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity. J.Med.Chem., 54, 2011
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8ZJB
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![BU of 8zjb by Molmil](/molmil-images/mine/8zjb) | |
7KE5
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![BU of 7ke5 by Molmil](/molmil-images/mine/7ke5) | Heavy chain ferritin with N-terminal EBNA1 epitope | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Epstein-Barr nuclear antigen 1,Ferritin heavy chain, FE (III) ION | Authors: | Pederick, J.P, Bruning, J.B. | Deposit date: | 2020-10-10 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Immunogenicity study of engineered ferritins with C- and N-terminus insertion of Epstein-Barr nuclear antigen 1 epitope. Vaccine, 39, 2021
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6L6V
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![BU of 6l6v by Molmil](/molmil-images/mine/6l6v) | SPO1 Gp44 N-terminal region (1-55) | Descriptor: | E3 protein | Authors: | Liu, B, Wang, Z. | Deposit date: | 2019-10-29 | Release date: | 2021-05-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | A Bacteriophage DNA Mimic Protein Employs a Non-specific Strategy to Inhibit the Bacterial RNA Polymerase. Front Microbiol, 12, 2021
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7KE3
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![BU of 7ke3 by Molmil](/molmil-images/mine/7ke3) | Heavy chain ferritin with C-terminal EBNA1 epitope | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (III) ION, Ferritin heavy chain,Epstein-Barr nuclear antigen 1 | Authors: | Pederick, J.L, Bruning, J.B. | Deposit date: | 2020-10-10 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Immunogenicity study of engineered ferritins with C- and N-terminus insertion of Epstein-Barr nuclear antigen 1 epitope. Vaccine, 39, 2021
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3MTF
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![BU of 3mtf by Molmil](/molmil-images/mine/3mtf) | Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor | Descriptor: | 1,2-ETHANEDIOL, 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol, Activin receptor type-1, ... | Authors: | Chaikuad, A, Sanvitale, C, Cooper, C, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Canning, P, Krojer, T, Vollmar, M, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2010-04-30 | Release date: | 2010-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A new class of small molecule inhibitor of BMP signaling. Plos One, 8, 2013
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6M2B
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![BU of 6m2b by Molmil](/molmil-images/mine/6m2b) | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416 | Descriptor: | 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Zhu, L, Li, H. | Deposit date: | 2020-02-27 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2. Protein Cell, 11, 2020
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3UX9
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![BU of 3ux9 by Molmil](/molmil-images/mine/3ux9) | Structural insights into a human anti-IFN antibody exerting therapeutic potential for systemic lupus erythematosus | Descriptor: | Interferon alpha-1/13, ScFv antibody | Authors: | Ouyang, S, Zhao, L.X, Liang, W, Shaw, N, Liu, Z.-J, Liang, M.-F. | Deposit date: | 2011-12-04 | Release date: | 2012-02-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into a human anti-IFN antibody exerting therapeutic potential for systemic lupus erythematosus J.Mol.Med., 2012
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5UG8
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![BU of 5ug8 by Molmil](/molmil-images/mine/5ug8) | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | Descriptor: | Epidermal growth factor receptor, GLYCEROL, N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide, ... | Authors: | Gajiwala, K.S, Ferre, R.A. | Deposit date: | 2017-01-07 | Release date: | 2017-03-22 | Last modified: | 2017-04-26 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR. J. Med. Chem., 60, 2017
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5U8F
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![BU of 5u8f by Molmil](/molmil-images/mine/5u8f) | Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine | Descriptor: | (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED | Authors: | Jakob, C.G, Zhu, H. | Deposit date: | 2016-12-14 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.343 Å) | Cite: | SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding. Bioorg. Med. Chem. Lett., 27, 2017
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5U8A
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![BU of 5u8a by Molmil](/molmil-images/mine/5u8a) | Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine | Descriptor: | (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED | Authors: | Jakob, C.G, Zhu, H. | Deposit date: | 2016-12-14 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding. Bioorg. Med. Chem. Lett., 27, 2017
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5U6D
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![BU of 5u6d by Molmil](/molmil-images/mine/5u6d) | |
5UG9
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![BU of 5ug9 by Molmil](/molmil-images/mine/5ug9) | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | Descriptor: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ... | Authors: | Gajiwala, K.S, Ferre, R.A. | Deposit date: | 2017-01-07 | Release date: | 2017-03-22 | Last modified: | 2018-10-10 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR. J. Med. Chem., 60, 2017
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5UGA
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![BU of 5uga by Molmil](/molmil-images/mine/5uga) | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium | Descriptor: | 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium, Epidermal growth factor receptor, GLYCEROL, ... | Authors: | Gajiwala, K.S, Ferre, R.A. | Deposit date: | 2017-01-07 | Release date: | 2017-03-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR. J. Med. Chem., 60, 2017
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5UGB
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![BU of 5ugb by Molmil](/molmil-images/mine/5ugb) | |
5VAM
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![BU of 5vam by Molmil](/molmil-images/mine/5vam) | BRAF in Complex with RAF709 | Descriptor: | N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2017-03-27 | Release date: | 2017-06-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers. J. Med. Chem., 60, 2017
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