4I1Y
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4IV6
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4J5I
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4JLV
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![BU of 4jlv by Molmil](/molmil-images/mine/4jlv) | Crystal structure of the chimerical protein CapA1B1 in complex with ADP-Mg | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, C-terminal fragment of Membrane protein CapA1, Putative uncharacterized protein capB1, ... | Authors: | Gruszczyk, J, Olivares-Illana, V, Nourikyan, J, Fleurie, A, Bechet, E, Aumont-Nicaise, M, Gueguen-Chaignon, V, Morera, S, Grangeasse, C, Nessler, S. | Deposit date: | 2013-03-13 | Release date: | 2014-02-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Comparative analysis of the Tyr-kinases CapB1 and CapB2 fused to their cognate modulators CapA1 and CapA2 from Staphylococcus aureus Plos One, 8, 2013
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2MJK
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6XJ0
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![BU of 6xj0 by Molmil](/molmil-images/mine/6xj0) | Crystal structure of multi-copper oxidase from Pediococcus pentosaceus | Descriptor: | CHLORIDE ION, COPPER (II) ION, CU-O-CU LINKAGE, ... | Authors: | Pardo, I, Soares, A.S, Collins, R, Partowmah, S.H, Coler, E.A. | Deposit date: | 2020-06-22 | Release date: | 2021-03-10 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural analysis and biochemical properties of laccase enzymes from two Pediococcus species. Microb Biotechnol, 14, 2021
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2M05
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2MDQ
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6YLT
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![BU of 6ylt by Molmil](/molmil-images/mine/6ylt) | Translation initiation factor 4E in complex with 3-MeBn7GpppG mRNA 5' cap analog | Descriptor: | Eukaryotic translation initiation factor 4E, [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate | Authors: | Kubacka, D, Wojcik, R, Baranowski, M.R, Kowalska, J, Jemielity, J. | Deposit date: | 2020-04-07 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Novel N7-Arylmethyl Substituted Dinucleotide mRNA 5' cap Analogs: Synthesis and Evaluation as Modulators of Translation. Pharmaceutics, 13, 2021
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6Y4J
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![BU of 6y4j by Molmil](/molmil-images/mine/6y4j) | Engineered Fructosyl Peptide Oxidase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase, GLYCEROL, ... | Authors: | Donini, S, Rigoldi, F, Gautieri, A, Parisini, E. | Deposit date: | 2020-02-21 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Rational backbone redesign of a fructosyl peptide oxidase to widen its active site access tunnel. Biotechnol.Bioeng., 117, 2020
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7AS0
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![BU of 7as0 by Molmil](/molmil-images/mine/7as0) | Influenza A PB2 in complex with VX-787 | Descriptor: | (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, BROMIDE ION, Polymerase basic protein 2 | Authors: | Radilova, K, Brynda, J. | Deposit date: | 2020-10-26 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase. Molecules, 26, 2021
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7AS1
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![BU of 7as1 by Molmil](/molmil-images/mine/7as1) | Influenza A PB2 (F404Y mutation) in complex with VX-787 | Descriptor: | (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, CHLORIDE ION, Polymerase basic protein 2 | Authors: | Radilova, K, Brynda, J. | Deposit date: | 2020-10-26 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase. Molecules, 26, 2021
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7AS2
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![BU of 7as2 by Molmil](/molmil-images/mine/7as2) | Influenza A PB2 (M431 mutation) in complex with VX-787 | Descriptor: | (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2 | Authors: | Radilova, K, Brynda, J. | Deposit date: | 2020-10-26 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase. Molecules, 26, 2021
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7AS3
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![BU of 7as3 by Molmil](/molmil-images/mine/7as3) | Influenza A PB2 (H357N mutation) in complex with VX-787 | Descriptor: | (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2 | Authors: | Radilova, K, Brynda, J. | Deposit date: | 2020-10-26 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase. Molecules, 26, 2021
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7QBB
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![BU of 7qbb by Molmil](/molmil-images/mine/7qbb) | Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 18 | Descriptor: | 3C-like proteinase nsp5, 7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione, DIMETHYL SULFOXIDE | Authors: | Talibov, V.O. | Deposit date: | 2021-11-18 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
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6YLR
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![BU of 6ylr by Molmil](/molmil-images/mine/6ylr) | Translation initiation factor 4E in complex with bn7GpppG mRNA 5' cap analog | Descriptor: | Eukaryotic translation initiation factor 4E, bn7GpppG mRNA 5' cap analog | Authors: | Kubacka, D, Wojcik, R, Baranowski, M.R, Warminski, M, Kowalska, J, Jemielity, J. | Deposit date: | 2020-04-07 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1954546 Å) | Cite: | Novel N7-Arylmethyl Substituted Dinucleotide mRNA 5' cap Analogs: Synthesis and Evaluation as Modulators of Translation. Pharmaceutics, 13, 2021
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6YRP
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![BU of 6yrp by Molmil](/molmil-images/mine/6yrp) | Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with JMV-4690 (Cpd 31) | Descriptor: | 1,2-ETHANEDIOL, 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid, ACETATE ION, ... | Authors: | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | Deposit date: | 2020-04-20 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 4-Amino-1,2,4-triazole-3-thione-derived Schiff bases as metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 208, 2020
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6YLV
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![BU of 6ylv by Molmil](/molmil-images/mine/6ylv) | Translation initiation factor 4E in complex with 4-Cl-Bn7GpppG mRNA 5' cap analog | Descriptor: | 4-Cl-Bn7GpppG mRNA 5' cap analog, Eukaryotic translation initiation factor 4E, GLYCEROL | Authors: | Kubacka, D, Wojcik, R, Baranowski, M.R, Kowalska, J, Jemielity, J. | Deposit date: | 2020-04-07 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.66005659 Å) | Cite: | Novel N7-Arylmethyl Substituted Dinucleotide mRNA 5' cap Analogs: Synthesis and Evaluation as Modulators of Translation. Pharmaceutics, 13, 2021
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6UX5
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7R98
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6W3D
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![BU of 6w3d by Molmil](/molmil-images/mine/6w3d) | Rd1NTF2_05 with long sheet | Descriptor: | Rd1NTF2_05 | Authors: | Bick, M.J, Basanta, B, Sankaran, B, Baker, D. | Deposit date: | 2020-03-09 | Release date: | 2020-04-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | An enumerative algorithm for de novo design of proteins with diverse pocket structures. Proc.Natl.Acad.Sci.USA, 117, 2020
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6W3G
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![BU of 6w3g by Molmil](/molmil-images/mine/6w3g) | Rd1NTF2_04 with long sheet | Descriptor: | Rd1NTF2_04 | Authors: | Bick, M.J, Basanta, B, Sankaran, B, Baker, D. | Deposit date: | 2020-03-09 | Release date: | 2020-04-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | An enumerative algorithm for de novo design of proteins with diverse pocket structures. Proc.Natl.Acad.Sci.USA, 117, 2020
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7B2U
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![BU of 7b2u by Molmil](/molmil-images/mine/7b2u) | Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 1 | Descriptor: | (5S)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl)imidazolidine-2,4-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Talibov, V.O. | Deposit date: | 2020-11-27 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
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7B5Z
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![BU of 7b5z by Molmil](/molmil-images/mine/7b5z) | Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 6 | Descriptor: | 2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-methylenepiperidin-1-yl)ethan-1-one, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Talibov, V.O. | Deposit date: | 2020-12-07 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
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7B77
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![BU of 7b77 by Molmil](/molmil-images/mine/7b77) | Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 8 | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-ethyl-~{N}-(furan-3-ylmethyl)ethanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Talibov, V.O. | Deposit date: | 2020-12-09 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
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