2ZPX
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![BU of 2zpx by Molmil](/molmil-images/mine/2zpx) | |
3A4X
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![BU of 3a4x by Molmil](/molmil-images/mine/3a4x) | Crystal structures of catalytic site mutants of active domain 2 of thermostable chitinase from Pyrococcus furiosus complexed with chito-oligosaccharides | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Chitinase, GLYCEROL, ... | Authors: | Tsuji, H, Nishimura, S, Inui, T, Ishikawa, K, Nakamura, T, Uegaki, K. | Deposit date: | 2009-07-22 | Release date: | 2010-06-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Kinetic and crystallographic analyses of the catalytic domain of chitinase from Pyrococcus furiosus- the role of conserved residues in the active site Febs J., 277, 2010
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3A4W
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![BU of 3a4w by Molmil](/molmil-images/mine/3a4w) | Crystal structures of catalytic site mutants of active domain 2 of thermostable chitinase from Pyrococcus furiosus complexed with chito-oligosaccharides | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, MAGNESIUM ION, ... | Authors: | Tsuji, H, Nishimura, S, Inui, T, Ishikawa, K, Nakamura, T, Uegaki, K. | Deposit date: | 2009-07-22 | Release date: | 2010-06-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Kinetic and crystallographic analyses of the catalytic domain of chitinase from Pyrococcus furiosus- the role of conserved residues in the active site Febs J., 277, 2010
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3VP9
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![BU of 3vp9 by Molmil](/molmil-images/mine/3vp9) | Crystal structure of the N-terminal domain of the yeast general corepressor Tup1p mutant | Descriptor: | 1,4-DIETHYLENE DIOXIDE, General transcriptional corepressor TUP1 | Authors: | Matsumura, H, Kusaka, N, Nakamura, T, Tanaka, N, Sagegami, K, Uegaki, K, Inoue, T, Mukai, Y. | Deposit date: | 2012-02-28 | Release date: | 2012-06-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Crystal structure of the N-terminal domain of the yeast general corepressor Tup1p and its functional implications J.Biol.Chem., 287, 2012
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3VP8
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![BU of 3vp8 by Molmil](/molmil-images/mine/3vp8) | Crystal structure of the N-terminal domain of the yeast general corepressor Tup1p | Descriptor: | General transcriptional corepressor TUP1 | Authors: | Matsumura, H, Kusaka, N, Nakamura, T, Tanaka, N, Sagegami, K, Uegaki, K, Inoue, T, Mukai, Y. | Deposit date: | 2012-02-28 | Release date: | 2012-06-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Crystal structure of the N-terminal domain of the yeast general corepressor Tup1p and its functional implications J.Biol.Chem., 287, 2012
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3WUC
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![BU of 3wuc by Molmil](/molmil-images/mine/3wuc) | X-ray crystal structure of Xenopus laevis galectin-Va | Descriptor: | Galectin, MALONIC ACID, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Nonaka, Y, Yoshida, H, Kamitori, S, Nakamura, T. | Deposit date: | 2014-04-23 | Release date: | 2015-04-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of a Xenopus laevis skin proto-type galectin, close to but distinct from galectin-1. Glycobiology, 25, 2015
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3WUD
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![BU of 3wud by Molmil](/molmil-images/mine/3wud) | X-ray crystal structure of Xenopus laevis galectin-Ib | Descriptor: | Galectin, SULFATE ION, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Nonaka, Y, Yoshida, H, Kamitori, S, Nakamura, T. | Deposit date: | 2014-04-23 | Release date: | 2015-04-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Crystal structure of a Xenopus laevis skin proto-type galectin, close to but distinct from galectin-1. Glycobiology, 25, 2015
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3ALQ
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![BU of 3alq by Molmil](/molmil-images/mine/3alq) | Crystal structure of TNF-TNFR2 complex | Descriptor: | COBALT (II) ION, Tumor necrosis factor, Tumor necrosis factor receptor superfamily member 1B | Authors: | Mukai, Y, Nakamura, T, Yamagata, Y, Tsutsumi, Y. | Deposit date: | 2010-08-06 | Release date: | 2010-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Solution of the Structure of the TNF-TNFR2 Complex Sci.Signal., 3, 2010
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5ZSS
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![BU of 5zss by Molmil](/molmil-images/mine/5zss) | |
8H3M
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![BU of 8h3m by Molmil](/molmil-images/mine/8h3m) | Conformation 1 of SARS-CoV-2 Omicron BA.1 Variant Spike protein complexed with MO1 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MO1 heavy chain, Spike glycoprotein | Authors: | Ishimaru, H, Nishimura, M, Sutandhio, S, Shigematsu, H, Kato, K, Hasegawa, N, Mori, Y. | Deposit date: | 2022-10-09 | Release date: | 2023-05-10 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (2.48 Å) | Cite: | Identification and Analysis of Monoclonal Antibodies with Neutralizing Activity against Diverse SARS-CoV-2 Variants. J.Virol., 97, 2023
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8H3N
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![BU of 8h3n by Molmil](/molmil-images/mine/8h3n) | Conformation 2 of SARS-CoV-2 Omicron BA.1 Variant Spike protein complexed with MO1 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MO1 heavy-chain, MO1 light chain, ... | Authors: | Ishimaru, H, Nishimura, M, Sutandhio, S, Shigematsu, H, Kato, K, Hasegawa, N, Mori, Y. | Deposit date: | 2022-10-09 | Release date: | 2023-05-10 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Identification and Analysis of Monoclonal Antibodies with Neutralizing Activity against Diverse SARS-CoV-2 Variants. J.Virol., 97, 2023
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8DOY
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![BU of 8doy by Molmil](/molmil-images/mine/8doy) | Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-198 | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C-like proteinase nsp5, ... | Authors: | Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H. | Deposit date: | 2022-07-14 | Release date: | 2022-08-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Potent and biostable inhibitors of the main protease of SARS-CoV-2. Iscience, 25, 2022
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8DOX
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![BU of 8dox by Molmil](/molmil-images/mine/8dox) | Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-245 | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H. | Deposit date: | 2022-07-14 | Release date: | 2022-09-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2. Nat Commun, 14, 2023
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8DPR
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![BU of 8dpr by Molmil](/molmil-images/mine/8dpr) | Crystal structure of SARS-CoV-2 main protease in complex with inhibitor TKB-248 | Descriptor: | 2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | Authors: | Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H. | Deposit date: | 2022-07-16 | Release date: | 2022-08-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2. Nat Commun, 14, 2023
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3L85
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8JJE
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![BU of 8jje by Molmil](/molmil-images/mine/8jje) | RBD of SARS-CoV2 spike protein with ACE2 decoy | 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: | Kishikawa, J, Hirose, M, Kato, T, Okamoto, T. | Deposit date: | 2023-05-30 | Release date: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | An inhaled ACE2 decoy confers protection against SARS-CoV-2 infection in preclinical models. Sci Transl Med, 15, 2023
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8UH8
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![BU of 8uh8 by Molmil](/molmil-images/mine/8uh8) | Crystal structure of SARS-CoV-2 main protease E166V (Apo structure) | Descriptor: | ORF1a polyprotein | Authors: | Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H. | Deposit date: | 2023-10-07 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir To Be Published
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8UH5
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![BU of 8uh5 by Molmil](/molmil-images/mine/8uh5) | Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-272 | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER | Authors: | Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H. | Deposit date: | 2023-10-06 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir To Be Published
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8UH9
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![BU of 8uh9 by Molmil](/molmil-images/mine/8uh9) | Crystal structure of SARS-CoV-2 main protease E166V mutant in complex with an inhibitor TKB-272 | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER | Authors: | Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H. | Deposit date: | 2023-10-07 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.067 Å) | Cite: | TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir To Be Published
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6L67
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![BU of 6l67 by Molmil](/molmil-images/mine/6l67) | X-ray structure of human galectin-10 in complex with D-galactose | Descriptor: | Galectin-10, beta-D-galactopyranose | Authors: | Kamitori, S. | Deposit date: | 2019-10-28 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structures of human galectin-10/monosaccharide complexes demonstrate potential of monosaccharides as effectors in forming Charcot-Leyden crystals. Biochem.Biophys.Res.Commun., 2020
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6L6D
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![BU of 6l6d by Molmil](/molmil-images/mine/6l6d) | X-ray structure of human galectin-10 in complex with D-N-acetylgalactosamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, Galectin-10 | Authors: | Kamitori, S. | Deposit date: | 2019-10-28 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structures of human galectin-10/monosaccharide complexes demonstrate potential of monosaccharides as effectors in forming Charcot-Leyden crystals. Biochem.Biophys.Res.Commun., 2020
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6L6B
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![BU of 6l6b by Molmil](/molmil-images/mine/6l6b) | X-ray structure of human galectin-10 in complex with L-fucose | Descriptor: | Galectin-10, beta-L-fucopyranose | Authors: | Kamitori, S. | Deposit date: | 2019-10-28 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Structures of human galectin-10/monosaccharide complexes demonstrate potential of monosaccharides as effectors in forming Charcot-Leyden crystals. Biochem.Biophys.Res.Commun., 2020
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6L6C
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![BU of 6l6c by Molmil](/molmil-images/mine/6l6c) | X-ray structure of human galectin-10 in complex with D-arabinose | Descriptor: | Galectin-10, alpha-D-arabinopyranose | Authors: | Kamitori, S. | Deposit date: | 2019-10-28 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structures of human galectin-10/monosaccharide complexes demonstrate potential of monosaccharides as effectors in forming Charcot-Leyden crystals. Biochem.Biophys.Res.Commun., 2020
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6L64
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![BU of 6l64 by Molmil](/molmil-images/mine/6l64) | X-ray structure of human galectin-10 in complex with D-glucose | Descriptor: | Galectin-10, beta-D-glucopyranose | Authors: | Kamitori, S. | Deposit date: | 2019-10-28 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structures of human galectin-10/monosaccharide complexes demonstrate potential of monosaccharides as effectors in forming Charcot-Leyden crystals. Biochem.Biophys.Res.Commun., 2020
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6L6A
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![BU of 6l6a by Molmil](/molmil-images/mine/6l6a) | X-ray structure of human galectin-10 in complex with D-mannose | Descriptor: | Galectin-10, beta-D-mannopyranose | Authors: | Kamitori, S. | Deposit date: | 2019-10-28 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structures of human galectin-10/monosaccharide complexes demonstrate potential of monosaccharides as effectors in forming Charcot-Leyden crystals. Biochem.Biophys.Res.Commun., 2020
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