6M0J
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![BU of 6m0j by Molmil](/molmil-images/mine/6m0j) | Crystal structure of SARS-CoV-2 spike receptor-binding domain bound with ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | Authors: | Wang, X, Lan, J, Ge, J, Yu, J, Shan, S. | Deposit date: | 2020-02-21 | Release date: | 2020-03-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor. Nature, 581, 2020
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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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4XXI
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![BU of 4xxi by Molmil](/molmil-images/mine/4xxi) | Crystal structure of the Bilin-binding domain of phycobilisome core-membrane linker ApcE | Descriptor: | PHYCOCYANOBILIN, Phycobiliprotein ApcE | Authors: | Tang, K, Ding, W.-L, Hoppner, A, Gartner, W, Zhao, K.-H. | Deposit date: | 2015-01-30 | Release date: | 2015-12-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The terminal phycobilisome emitter, LCM: A light-harvesting pigment with a phytochrome chromophore Proc.Natl.Acad.Sci.USA, 112, 2015
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4XXU
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![BU of 4xxu by Molmil](/molmil-images/mine/4xxu) | ModA - chromate bound | Descriptor: | Chromate, Molybdate-binding periplasmic protein | Authors: | He, C, Karpus, J, Ajiboye, I. | Deposit date: | 2015-01-30 | Release date: | 2016-09-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Structure of chromate bound ModA from E.coli at 1.43 Angstroms resolution. To Be Published
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4XXK
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![BU of 4xxk by Molmil](/molmil-images/mine/4xxk) | Crystal structure of the Semet-derivative of the Bilin-binding domain of phycobilisome core-membrane linker ApcE | Descriptor: | PHYCOCYANOBILIN, Phycobiliprotein ApcE | Authors: | Tang, K, Ding, W.-L, Hoppner, A, Gartner, W, Zhao, K.-H. | Deposit date: | 2015-01-30 | Release date: | 2015-12-16 | Last modified: | 2016-01-13 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | The terminal phycobilisome emitter, LCM: A light-harvesting pigment with a phytochrome chromophore. Proc.Natl.Acad.Sci.USA, 112, 2015
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4YLA
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![BU of 4yla by Molmil](/molmil-images/mine/4yla) | Crystal structure of the indole prenyltransferase MpnD complexed with indolactam V and DMSPP | Descriptor: | (2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one, Aromatic prenyltransferase, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ... | Authors: | Mori, T, Morita, H, Abe, I. | Deposit date: | 2015-03-05 | Release date: | 2016-03-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Manipulation of prenylation reactions by structure-based engineering of bacterial indolactam prenyltransferases. Nat Commun, 7, 2016
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4YL7
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![BU of 4yl7 by Molmil](/molmil-images/mine/4yl7) | |
4YZK
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![BU of 4yzk by Molmil](/molmil-images/mine/4yzk) | |
3CE3
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![BU of 3ce3 by Molmil](/molmil-images/mine/3ce3) | |
4HND
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![BU of 4hnd by Molmil](/molmil-images/mine/4hnd) | Crystal structure of the catalytic domain of Selenomethionine substituted human PI4KIIalpha in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase type 2-alpha | Authors: | Zhou, Q, Zhai, Y, Zhang, K, Chen, C, Sun, F. | Deposit date: | 2012-10-19 | Release date: | 2014-04-09 | Last modified: | 2016-12-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Molecular insights into the membrane-associated phosphatidylinositol 4-kinase II alpha. Nat Commun, 5, 2014
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4HNE
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![BU of 4hne by Molmil](/molmil-images/mine/4hne) | Crystal structure of the catalytic domain of human type II alpha Phosphatidylinositol 4-kinase (PI4KIIalpha) in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase type 2-alpha | Authors: | Zhou, Q, Zhai, Y, Zhang, K, Chen, C, Sun, F. | Deposit date: | 2012-10-19 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Molecular insights into the membrane-associated phosphatidylinositol 4-kinase II alpha. Nat Commun, 5, 2014
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7SSM
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![BU of 7ssm by Molmil](/molmil-images/mine/7ssm) | Crystal structure of human STING R232 in complex with compound 11 | Descriptor: | 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid, Stimulator of interferon genes protein | Authors: | Sack, J.S, Critton, D.A. | Deposit date: | 2021-11-11 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of Non-Nucleotide Small-Molecule STING Agonists via Chemotype Hybridization. J.Med.Chem., 65, 2022
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6T5B
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![BU of 6t5b by Molmil](/molmil-images/mine/6t5b) | KRasG12C ligand complex | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Phillips, C. | Deposit date: | 2019-10-15 | Release date: | 2020-02-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C. J.Med.Chem., 63, 2020
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6T5U
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![BU of 6t5u by Molmil](/molmil-images/mine/6t5u) | KRasG12C ligand complex | Descriptor: | 1-[(7R)-16-chloro-15-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Phillips, C. | Deposit date: | 2019-10-17 | Release date: | 2020-02-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C. J.Med.Chem., 63, 2020
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6T5V
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![BU of 6t5v by Molmil](/molmil-images/mine/6t5v) | KRasG12C ligand complex | Descriptor: | 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Phillips, C. | Deposit date: | 2019-10-17 | Release date: | 2020-02-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C. J.Med.Chem., 63, 2020
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6O6L
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![BU of 6o6l by Molmil](/molmil-images/mine/6o6l) | The Structure of EgtB(Cabther) in complex with Hercynine | Descriptor: | EgtB (Cabther), FE (III) ION, N,N,N-trimethyl-histidine | Authors: | Irani, S, Zhang, Y. | Deposit date: | 2019-03-07 | Release date: | 2019-07-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structure of the Ergothioneine Sulfoxide Synthase fromCandidatus Chloracidobacterium thermophilumand Structure-Guided Engineering To Modulate Its Substrate Selectivity. Acs Catalysis, 9, 2019
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7XWX
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![BU of 7xwx by Molmil](/molmil-images/mine/7xwx) | Crystal structure of SARS-CoV-2 N-CTD | Descriptor: | Nucleoprotein, PHOSPHATE ION | Authors: | Luan, X.D, Li, X.M, Li, Y.F. | Deposit date: | 2022-05-27 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein. Sci Bull (Beijing), 67, 2022
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7XX1
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![BU of 7xx1 by Molmil](/molmil-images/mine/7xx1) | Crystal structure of SARS-CoV-2 N-NTD | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nucleoprotein, ZINC ION | Authors: | Luan, X.D, Li, X.M, Li, Y.F. | Deposit date: | 2022-05-27 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein. Sci Bull (Beijing), 67, 2022
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7XWZ
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![BU of 7xwz by Molmil](/molmil-images/mine/7xwz) | Crystal structure of SARS-CoV-2 N-NTD and dsRNA complex | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Nucleoprotein, ... | Authors: | Luan, X.D, Li, X.M, Li, Y.F. | Deposit date: | 2022-05-27 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein. Sci Bull (Beijing), 67, 2022
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6O6M
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![BU of 6o6m by Molmil](/molmil-images/mine/6o6m) | The Structure of EgtB (Cabther) | Descriptor: | EgtB (Cabther), FE (III) ION, GLYCEROL | Authors: | Irani, S, Zhang, Y. | Deposit date: | 2019-03-07 | Release date: | 2019-07-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.506 Å) | Cite: | Crystal Structure of the Ergothioneine Sulfoxide Synthase fromCandidatus Chloracidobacterium thermophilumand Structure-Guided Engineering To Modulate Its Substrate Selectivity. Acs Catalysis, 9, 2019
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8GSF
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![BU of 8gsf by Molmil](/molmil-images/mine/8gsf) | Echovirus3 empty particle in complex with 6D10 Fab (sideling) | Descriptor: | Heavy chain of 6D10, Light chain of 6D10, VP0, ... | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-09-06 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody. Viruses, 14, 2022
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8GSD
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![BU of 8gsd by Molmil](/molmil-images/mine/8gsd) | Echovirus3 full particle in complex with 6D10 Fab | Descriptor: | Genome polyprotein, Genome polyprotein (Fragment), Heavy chain of 6D10, ... | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-09-06 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody. Viruses, 14, 2022
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8GSE
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![BU of 8gse by Molmil](/molmil-images/mine/8gse) | Echovirus3 capsid protein in complex with 6D10 Fab (upright) | Descriptor: | Heavy chain of 6D10, Light chain of 6D10, VP0, ... | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-09-06 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody. Viruses, 14, 2022
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8GSC
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![BU of 8gsc by Molmil](/molmil-images/mine/8gsc) | Echovirus3 A-particle in complex with 6D10 Fab | Descriptor: | Heavy chain of 6D10, Light chain of 6D10, VP1, ... | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-09-06 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody. Viruses, 14, 2022
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7X6S
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![BU of 7x6s by Molmil](/molmil-images/mine/7x6s) | |