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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2D6N
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![BU of 2d6n by Molmil](/molmil-images/mine/2d6n) | Crystal structure of mouse galectin-9 N-terminal CRD in complex with N-acetyllactosamine | Descriptor: | beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, lectin, galactose binding, ... | Authors: | Nagae, M, Nishi, N, Nakamura, T, Murata, T, Wakatsuki, S, Kato, R. | Deposit date: | 2005-11-14 | Release date: | 2006-09-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Galectin-9 N-terminal Carbohydrate Recognition Domain from Mus musculus Reveals the Basic Mechanism of Carbohydrate Recognition J.Biol.Chem., 281, 2006
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2D6P
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![BU of 2d6p by Molmil](/molmil-images/mine/2d6p) | Crystal structure of mouse galectin-9 N-terminal CRD in complex with T-antigen | Descriptor: | beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, lectin, galactose binding, ... | Authors: | Nagae, M, Nishi, N, Nakamura, T, Murata, T, Wakatsuki, S, Kato, R. | Deposit date: | 2005-11-14 | Release date: | 2006-09-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of the Galectin-9 N-terminal Carbohydrate Recognition Domain from Mus musculus Reveals the Basic Mechanism of Carbohydrate Recognition J.Biol.Chem., 281, 2006
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2D6O
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![BU of 2d6o by Molmil](/molmil-images/mine/2d6o) | Crystal structure of mouse galectin-9 N-terminal CRD in complex with N-acetyllactosamine dimer | Descriptor: | GLYCEROL, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, lectin, ... | Authors: | Nagae, M, Nishi, N, Nakamura, T, Murata, T, Wakatsuki, S, Kato, R. | Deposit date: | 2005-11-14 | Release date: | 2006-09-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal Structure of the Galectin-9 N-terminal Carbohydrate Recognition Domain from Mus musculus Reveals the Basic Mechanism of Carbohydrate Recognition J.Biol.Chem., 281, 2006
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2DFV
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![BU of 2dfv by Molmil](/molmil-images/mine/2dfv) | Hyperthermophilic threonine dehydrogenase from Pyrococcus horikoshii | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Probable L-threonine 3-dehydrogenase, SULFATE ION, ... | Authors: | Ishikawa, K, Higashi, N, Nakamura, T, Matsuura, T, Nakagawa, A. | Deposit date: | 2006-03-03 | Release date: | 2007-01-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The first crystal structure of L-threonine dehydrogenase. J.Mol.Biol., 366, 2007
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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) | |
1K36
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![BU of 1k36 by Molmil](/molmil-images/mine/1k36) | NMR Structure of human Epiregulin | Descriptor: | Epiregulin | Authors: | Sato, K, Miura, K, Tada, M, Aizawa, T, Miyamoto, K, Kawano, K. | Deposit date: | 2001-10-02 | Release date: | 2003-09-30 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of epiregulin and the effect of its C-terminal domain for receptor binding affinity Febs Lett., 553, 2003
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1K37
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![BU of 1k37 by Molmil](/molmil-images/mine/1k37) | NMR Structure of human Epiregulin | Descriptor: | Epiregulin | Authors: | Sato, K, Miura, K, Tada, M, Aizawa, T, Miyamoto, K, Kawano, K. | Deposit date: | 2001-10-02 | Release date: | 2003-09-30 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of epiregulin and the effect of its C-terminal domain for receptor binding affinity Febs Lett., 553, 2003
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6D0D
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![BU of 6d0d by Molmil](/molmil-images/mine/6d0d) | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-087-13 | Descriptor: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate, Protease | Authors: | Yedidi, R.S, Hayashi, H, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2018-04-10 | Release date: | 2019-05-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Novel Central Nervous System (CNS)-Targeting Protease Inhibitors for Drug-Resistant HIV Infection and HIV-Associated CNS Complications. Antimicrob.Agents Chemother., 63, 2019
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2EAL
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![BU of 2eal by Molmil](/molmil-images/mine/2eal) | Crystal structure of human galectin-9 N-terminal CRD in complex with Forssman pentasaccharide | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-beta-D-galactopyranose, Galectin-9 | Authors: | Nagae, M, Nakamura-Tsuruta, S, Nishi, N, Nakamura, T, Hirabayashi, J, Wakatsuki, S, Kato, R. | Deposit date: | 2007-01-31 | Release date: | 2007-09-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural analysis of the human galectin-9 N-terminal carbohydrate recognition domain reveals unexpected properties that differ from the mouse orthologue. J.Mol.Biol., 375, 2008
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2EAK
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![BU of 2eak by Molmil](/molmil-images/mine/2eak) | Crystal structure of human galectin-9 N-terminal CRD in complex with lactose | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, Galectin-9, ... | Authors: | Nagae, M, Nakamura-Tsuruta, S, Nishi, N, Nakamura, T, Hirabayashi, J, Wakatsuki, S, Kato, R. | Deposit date: | 2007-01-31 | Release date: | 2007-09-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural analysis of the human galectin-9 N-terminal carbohydrate recognition domain reveals unexpected properties that differ from the mouse orthologue. J.Mol.Biol., 375, 2008
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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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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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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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![BU of 3l85 by Molmil](/molmil-images/mine/3l85) | |
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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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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6D0E
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![BU of 6d0e by Molmil](/molmil-images/mine/6d0e) | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-084-13 | Descriptor: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate, Protease | Authors: | Yedidi, R.S, Hayashi, H, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2018-04-10 | Release date: | 2019-05-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Novel Central Nervous System (CNS)-Targeting Protease Inhibitors for Drug-Resistant HIV Infection and HIV-Associated CNS Complications. Antimicrob.Agents Chemother., 63, 2019
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4RKY
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![BU of 4rky by Molmil](/molmil-images/mine/4rky) | Crystal structure of DJ-1 isoform X1 | Descriptor: | Protein DJ-1 | Authors: | Liddington, R.C. | Deposit date: | 2014-10-14 | Release date: | 2015-08-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Transnitrosylation from DJ-1 to PTEN attenuates neuronal cell death in parkinson's disease models. J.Neurosci., 34, 2014
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4RKW
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![BU of 4rkw by Molmil](/molmil-images/mine/4rkw) | Crystal structure of DJ-1 | Descriptor: | Protein DJ-1 | Authors: | Liddington, R.C. | Deposit date: | 2014-10-14 | Release date: | 2015-08-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Transnitrosylation from DJ-1 to PTEN attenuates neuronal cell death in parkinson's disease models. J.Neurosci., 34, 2014
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