3VV1
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![BU of 3vv1 by Molmil](/molmil-images/mine/3vv1) | Crystal Structure of Caenorhabditis elegans galectin LEC-6 | Descriptor: | MAGNESIUM ION, Protein LEC-6, beta-D-galactopyranose-(1-4)-alpha-L-fucopyranose | Authors: | Makyio, H, Takeuchi, T, Tamura, M, Nishiyama, K, Takahashi, H, Natsugari, H, Arata, Y, Kasai, K, Yamada, Y, Wakatsuki, S, Kato, R. | Deposit date: | 2012-07-10 | Release date: | 2013-05-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis of preferential binding of fucose-containing saccharide by the Caenorhabditis elegans galectin LEC-6 Glycobiology, 23, 2013
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3VL8
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![BU of 3vl8 by Molmil](/molmil-images/mine/3vl8) | Crystal structure of XEG | Descriptor: | SULFATE ION, Xyloglucan-specific endo-beta-1,4-glucanase A | Authors: | Yoshizawa, T, Shimizu, T, Hirano, H, Sato, M, Hashimoto, H. | Deposit date: | 2011-11-30 | Release date: | 2012-04-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for inhibition of xyloglucan-specific endo-beta-1,4-glucanase (XEG) by XEG-protein inhibitor J.Biol.Chem., 287, 2012
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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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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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3VX7
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![BU of 3vx7 by Molmil](/molmil-images/mine/3vx7) | Crystal structure of Kluyveromyces marxianus Atg7NTD-Atg10 complex | Descriptor: | E1, E2 | Authors: | Yamaguchi, M, Matoba, K, Sawada, R, Fujioka, Y, Nakatogawa, H, Yamamoto, H, Kobashigawa, Y, Hoshida, H, Akada, R, Ohsumi, Y, Noda, N.N, Inagaki, F. | Deposit date: | 2012-09-11 | Release date: | 2012-11-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Noncanonical recognition and UBL loading of distinct E2s by autophagy-essential Atg7. Nat.Struct.Mol.Biol., 19, 2012
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1J1Q
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![BU of 1j1q by Molmil](/molmil-images/mine/1j1q) | Structure of Pokeweed Antiviral Protein from Seeds (PAP-S1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antiviral protein S | Authors: | Watanabe, K, Sato, E, Honjo, E, Motoshima, H, Kurokawa, H, Mikami, B, Monzingo, A.F, Robertus, J.D, Fujii, H, Hidaka, A. | Deposit date: | 2002-12-14 | Release date: | 2004-02-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Pokweed Antiviral Protein from Seeds (PAP-S1) at 1.8 Angstrom Resolution To be published
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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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2RNN
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![BU of 2rnn by Molmil](/molmil-images/mine/2rnn) | |
8XZ2
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![BU of 8xz2 by Molmil](/molmil-images/mine/8xz2) | The structural model of a homodimeric D-Ala-D-Ala metallopeptidase, VanX, from vancomycin-resistant bacteria | Descriptor: | D-alanyl-D-alanine dipeptidase | Authors: | Konuma, T, Takai, T, Tsuchiya, C, Nishida, M, Hashiba, M, Yamada, Y, Shirai, H, Motoda, Y, Nagadoi, A, Chikaishi, E, Akagi, K, Akashi, S, Yamazaki, T, Akutsu, H, Oe, A, Ikegami, T. | Deposit date: | 2024-01-20 | Release date: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Analysis of the homodimeric structure of a D-Ala-D-Ala metallopeptidase, VanX, from vancomycin-resistant bacteria. Protein Sci., 33, 2024
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1IWJ
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![BU of 1iwj by Molmil](/molmil-images/mine/1iwj) | Putidaredoxin-Binding Stablilizes an Active Conformer of Cytochrome P450cam in its Reduced State; Crystal Structure of Mutant(109K) Cytochrome P450cam | Descriptor: | CAMPHOR, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Nagano, S, Shimada, H, Tarumi, A, Hishiki, T, Kimata-Ariga, Y, Egawa, T, Park, S.-Y, Adachi, S, Shiro, Y, Ishimura, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-05-15 | Release date: | 2002-06-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Infrared spectroscopic and mutational studies on putidaredoxin-induced conformational changes in ferrous CO-P450cam Biochemistry, 42, 2003
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1IWK
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![BU of 1iwk by Molmil](/molmil-images/mine/1iwk) | Putidaredoxin-Binding Stablilizes an Active Conformer of Cytochrome P450cam in its Reduced State; Crystal Structure of Mutant(112K) Cytochrome P450cam | Descriptor: | CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Nagano, S, Shimada, H, Tarumi, A, Hishiki, T, Kimata-Ariga, Y, Egawa, T, Park, S.-Y, Adachi, S, Shiro, Y, Ishimura, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-05-15 | Release date: | 2002-06-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Infrared spectroscopic and mutational studies on putidaredoxin-induced conformational changes in ferrous CO-P450cam Biochemistry, 42, 2003
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3VIR
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![BU of 3vir by Molmil](/molmil-images/mine/3vir) | Crystal strcture of Swi5 from fission yeast | Descriptor: | Mating-type switching protein swi5, octyl beta-D-glucopyranoside | Authors: | Kuwabara, N, Yamada, N, Hashimoto, H, Sato, M, Iwasaki, H, Shimizu, T. | Deposit date: | 2011-10-06 | Release date: | 2012-08-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mechanistic insights into the activation of Rad51-mediated strand exchange from the structure of a recombination activator, the Swi5-Sfr1 complex Structure, 20, 2012
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3VIQ
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![BU of 3viq by Molmil](/molmil-images/mine/3viq) | Crystal structure of Swi5-Sfr1 complex from fission yeast | Descriptor: | GLYCEROL, Mating-type switching protein swi5, NITRATE ION, ... | Authors: | Kuwabara, N, Murayama, Y, Hashimoto, H, Kokabu, Y, Ikeguchi, M, Sato, M, Mayanagi, K, Tsutsui, Y, Iwasaki, H, Shimizu, T. | Deposit date: | 2011-10-06 | Release date: | 2012-08-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanistic insights into the activation of Rad51-mediated strand exchange from the structure of a recombination activator, the Swi5-Sfr1 complex Structure, 20, 2012
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9ARS
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![BU of 9ars by Molmil](/molmil-images/mine/9ars) | Crystal structure of SARS-CoV-2 main protease E166V mutant 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 | Authors: | Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Misumi, S, Tamamura, H, Mitsuya, H. | Deposit date: | 2024-02-23 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors To Be Published
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9ART
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![BU of 9art by Molmil](/molmil-images/mine/9art) | Crystal structure of SARS-CoV-2 main protease A191T mutant in complex with an inhibitor 5h | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Authors: | Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Tamamura, H, Mitsuya, H. | Deposit date: | 2024-02-23 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors To Be Published
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9AVQ
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![BU of 9avq by Molmil](/molmil-images/mine/9avq) | Crystal structure of SARS-CoV-2 main protease A191T mutant in complex with an inhibitor Nirmatrelvir | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-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, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Tamamura, H, Mitsuya, H. | Deposit date: | 2024-03-04 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors To Be Published
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9ARQ
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![BU of 9arq by Molmil](/molmil-images/mine/9arq) | Crystal structure of SARS-CoV-2 main protease (authentic protein) 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 | Authors: | Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Tamamura, H, Mitsuya, H. | Deposit date: | 2024-02-23 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors To Be Published
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7XK4
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![BU of 7xk4 by Molmil](/molmil-images/mine/7xk4) | Cryo-EM structure of Na+-pumping NADH-ubiquinone oxidoreductase from Vibrio cholerae, state 2 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CALCIUM ION, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Kishikawa, J, Ishikawa, M, Masuya, T, Murai, M, Barquera, B, Miyoshi, H. | Deposit date: | 2022-04-19 | Release date: | 2022-07-20 | Last modified: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structures of Na + -pumping NADH-ubiquinone oxidoreductase from Vibrio cholerae. Nat Commun, 13, 2022
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7XK5
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![BU of 7xk5 by Molmil](/molmil-images/mine/7xk5) | Cryo-EM structure of Na+-pumping NADH-ubiquinone oxidoreductase from Vibrio cholerae, state 3 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CALCIUM ION, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Kishikawa, J, Ishikawa, M, Masuya, T, Murai, M, Barquera, B, Miyoshi, H. | Deposit date: | 2022-04-19 | Release date: | 2022-07-20 | Last modified: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structures of Na + -pumping NADH-ubiquinone oxidoreductase from Vibrio cholerae. Nat Commun, 13, 2022
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7XK6
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![BU of 7xk6 by Molmil](/molmil-images/mine/7xk6) | Cryo-EM structure of Na+-pumping NADH-ubiquinone oxidoreductase from Vibrio cholerae, with aurachin D-42 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Aurachin D, CALCIUM ION, ... | Authors: | Kishikawa, J, Ishikawa, M, Masuya, T, Murai, M, Barquera, B, Miyoshi, H. | Deposit date: | 2022-04-19 | Release date: | 2022-07-20 | Last modified: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures of Na + -pumping NADH-ubiquinone oxidoreductase from Vibrio cholerae. Nat Commun, 13, 2022
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7XK3
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![BU of 7xk3 by Molmil](/molmil-images/mine/7xk3) | Cryo-EM structure of Na+-pumping NADH-ubiquinone oxidoreductase from Vibrio cholerae, state 1 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CALCIUM ION, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Kishikawa, J, Ishikawa, M, Masuya, T, Murai, M, Barquera, B, Miyoshi, H. | Deposit date: | 2022-04-19 | Release date: | 2022-07-20 | Last modified: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structures of Na + -pumping NADH-ubiquinone oxidoreductase from Vibrio cholerae. Nat Commun, 13, 2022
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1IE6
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![BU of 1ie6 by Molmil](/molmil-images/mine/1ie6) | SOLUTION STRUCTURE OF IMPERATOXIN A | Descriptor: | IMPERATOXIN A | Authors: | Lee, C.W, Takeuchi, K, Takahashi, H, Sato, K, Shimada, I, Kim, D.H, Kim, J.I. | Deposit date: | 2001-04-07 | Release date: | 2003-06-10 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Molecular basis of the high-affinity activation of type 1 ryanodine receptors by imperatoxin A. Biochem.J., 377, 2004
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8Y2S
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![BU of 8y2s by Molmil](/molmil-images/mine/8y2s) | P-hydroxybenzoate hydroxylase complexed with 4-hydroxy-3-methylbenzoic acid | Descriptor: | 3-methyl-4-oxidanyl-benzoic acid, 4-hydroxybenzoate 3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Hara, K, Hashimoto, H, Matsushita, T, Kishimoto, S, Watanabe, K. | Deposit date: | 2024-01-27 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Functional Enhancement of Flavin-Containing Monooxygenase through Machine Learning Methodology Acs Catalysis, 14, 2024
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3VL9
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![BU of 3vl9 by Molmil](/molmil-images/mine/3vl9) | Crystal structure of xeg-xyloglucan | Descriptor: | Xyloglucan-specific endo-beta-1,4-glucanase A, beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Yoshizawa, T, Shimizu, T, Hirano, H, Sato, M, Hashimoto, H. | Deposit date: | 2011-11-30 | Release date: | 2012-04-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural basis for inhibition of xyloglucan-specific endo-beta-1,4-glucanase (XEG) by XEG-protein inhibitor J.Biol.Chem., 287, 2012
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5NFF
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![BU of 5nff by Molmil](/molmil-images/mine/5nff) | Crystal structure of GP1 receptor binding domain from Morogoro virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ... | Authors: | Israeli, H, Cohen-Dvashi, H, Shulman, A, Shimon, A, Diskin, R. | Deposit date: | 2017-03-14 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.615 Å) | Cite: | Mapping of the Lassa virus LAMP1 binding site reveals unique determinants not shared by other old world arenaviruses. PLoS Pathog., 13, 2017
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