7VU6
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![BU of 7vu6 by Molmil](/molmil-images/mine/7vu6) | The crystal structure of SARS-CoV-2 3CL protease in complex with compound 3 | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | Authors: | Yamamoto, S, Yamane, J, Tachibana, Y. | Deposit date: | 2021-11-01 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19. J.Med.Chem., 65, 2022
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7VTH
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![BU of 7vth by Molmil](/molmil-images/mine/7vth) | The crystal structure of SARS-CoV-2 3CL protease in complex with compound 1 | Descriptor: | 2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide, 3C-like proteinase | Authors: | Yamamoto, S, Tachibana, Y. | Deposit date: | 2021-10-29 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19. J.Med.Chem., 65, 2022
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7X91
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![BU of 7x91 by Molmil](/molmil-images/mine/7x91) | |
7X8Z
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![BU of 7x8z by Molmil](/molmil-images/mine/7x8z) | |
7X8Y
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![BU of 7x8y by Molmil](/molmil-images/mine/7x8y) | |
7X8W
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![BU of 7x8w by Molmil](/molmil-images/mine/7x8w) | |
7X90
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7X92
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7YB3
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![BU of 7yb3 by Molmil](/molmil-images/mine/7yb3) | SufS with D-cysteine for 1 min | Descriptor: | Cysteine desulfurase SufS, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL | Authors: | Nakamura, R, Fujishiro, T. | Deposit date: | 2022-06-28 | Release date: | 2023-07-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Snapshots of thiazolidine fomration of PLP-dependent enzyme SufS to be published
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7Y6L
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![BU of 7y6l by Molmil](/molmil-images/mine/7y6l) | |
7Y6N
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![BU of 7y6n by Molmil](/molmil-images/mine/7y6n) | |
7XY8
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![BU of 7xy8 by Molmil](/molmil-images/mine/7xy8) | Crystal structure of antibody Fab fragment in complex with CD147(EMMPIRIN) | Descriptor: | Isoform 2 of Basigin, heavy chain, light chain | Authors: | Nakamura, K, Amano, M, Yoneda, K, Suzuki, M, Fukuchi, K. | Deposit date: | 2022-06-01 | Release date: | 2022-11-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel Antibody Exerts Antitumor Effect through Downregulation of CD147 and Activation of Multiple Stress Signals. J Oncol, 2022, 2022
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7YI7
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![BU of 7yi7 by Molmil](/molmil-images/mine/7yi7) | Crystal structure of Human HPSE1 in complex with inhibitor | Descriptor: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit | Authors: | Mima, M, Fujimoto, N, Imai, Y. | Deposit date: | 2022-07-15 | Release date: | 2022-12-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Lead identification of novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid derivative as a potent heparanase-1 inhibitor. Bioorg.Med.Chem.Lett., 79, 2022
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7YJC
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![BU of 7yjc by Molmil](/molmil-images/mine/7yjc) | Crystal structure of Human HPSE1 in complex with inhibitor | Descriptor: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit | Authors: | Mima, M, Fujimoto, N, Imai, Y. | Deposit date: | 2022-07-19 | Release date: | 2022-12-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Lead identification of novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid derivative as a potent heparanase-1 inhibitor. Bioorg.Med.Chem.Lett., 79, 2022
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7X9W
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![BU of 7x9w by Molmil](/molmil-images/mine/7x9w) | Sulfur Oxygenase Reductase from Acidianus ambivalens | Descriptor: | FE (III) ION, Sulfur oxygenase/reductase | Authors: | Sobhy, M.A, Hamdan, S.M. | Deposit date: | 2022-03-16 | Release date: | 2022-10-12 | Last modified: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (2.78 Å) | Cite: | Cryo-electron structures of the extreme thermostable enzymes Sulfur Oxygenase Reductase and Lumazine Synthase. Plos One, 17, 2022
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7X7M
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![BU of 7x7m by Molmil](/molmil-images/mine/7x7m) | Lumazine Synthase from Aquifex aeolicus | Descriptor: | 6,7-dimethyl-8-ribityllumazine synthase | Authors: | Sobhy, M.A, Hamdan, S.M. | Deposit date: | 2022-03-09 | Release date: | 2022-10-12 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.33 Å) | Cite: | Cryo-electron structures of the extreme thermostable enzymes Sulfur Oxygenase Reductase and Lumazine Synthase. Plos One, 17, 2022
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5Z98
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![BU of 5z98 by Molmil](/molmil-images/mine/5z98) | Crystal Structure of the Primate APOBEC3H Dimer mediated by RNA Duplex | Descriptor: | Apolipoprotein B mRNA editing enzyme catalytic polypeptide-like protein 3H, RNA (5'-R(*AP*UP*AP*CP*CP*CP*GP*GP*CP*A)-3'), RNA (5'-R(P*CP*UP*GP*CP*CP*GP*GP*GP*UP*A)-3'), ... | Authors: | Matsuoka, T, Nagae, T, Ode, H, Watanabe, N, Iwatani, Y. | Deposit date: | 2018-02-02 | Release date: | 2018-08-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of chimpanzee APOBEC3H dimerization stabilized by double-stranded RNA. Nucleic Acids Res., 46, 2018
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5WLY
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![BU of 5wly by Molmil](/molmil-images/mine/5wly) | E. coli LpxH- 8 mutations | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ... | Authors: | Bohl, T.E, Aihara, H, Shi, K, Lee, J.K. | Deposit date: | 2017-07-28 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The substrate-binding cap of the UDP-diacylglucosamine pyrophosphatase LpxH is highly flexible, enabling facile substrate binding and product release. J. Biol. Chem., 293, 2018
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5X4A
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![BU of 5x4a by Molmil](/molmil-images/mine/5x4a) | SLL-2-Forssman antigen tetrasaccharides complex | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Galactose-binding lectin, ... | Authors: | Kita, A, Miki, K. | Deposit date: | 2017-02-11 | Release date: | 2017-09-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Crystal structure of octocoral lectin SLL-2 complexed with Forssman antigen tetrasaccharide. Glycobiology, 2017
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5XMX
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![BU of 5xmx by Molmil](/molmil-images/mine/5xmx) | Co-crystal structure of Inhibitor compound in complex with human PPARdelta LBD | Descriptor: | (E)-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid, Peroxisome proliferator-activated receptor delta | Authors: | Lakshminarasimhan, A, Rani, S.T, Senaiar, R.S, Krishnamurthy, N. | Deposit date: | 2017-05-16 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Novel highly selective peroxisome proliferator-activated receptor delta (PPAR delta) modulators with pharmacokinetic properties suitable for once-daily oral dosing. Bioorg. Med. Chem. Lett., 27, 2017
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5XVR
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5YSD
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![BU of 5ysd by Molmil](/molmil-images/mine/5ysd) | Crystal structure of beta-1,2-glucooligosaccharide binding protein in complex with sophorotriose | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Lin1841 protein, MAGNESIUM ION, ... | Authors: | Abe, K, Nakajima, M, Taguchi, H, Arakawa, T, Fushinobu, S. | Deposit date: | 2017-11-14 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and thermodynamic insights into beta-1,2-glucooligosaccharide capture by a solute-binding protein inListeria innocua. J. Biol. Chem., 293, 2018
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5YSF
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![BU of 5ysf by Molmil](/molmil-images/mine/5ysf) | Crystal structure of beta-1,2-glucooligosaccharide binding protein in complex with sophoropentaose | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Lin1841 protein, MAGNESIUM ION, ... | Authors: | Abe, K, Nakajima, M, Taguchi, H, Arakawa, T, Fushinobu, S. | Deposit date: | 2017-11-14 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and thermodynamic insights into beta-1,2-glucooligosaccharide capture by a solute-binding protein inListeria innocua. J. Biol. Chem., 293, 2018
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5YSE
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![BU of 5yse by Molmil](/molmil-images/mine/5yse) | Crystal structure of beta-1,2-glucooligosaccharide binding protein in complex with sophorotetraose | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Lin1841 protein, MAGNESIUM ION, ... | Authors: | Abe, K, Nakajima, M, Taguchi, H, Arakawa, T, Fushinobu, S. | Deposit date: | 2017-11-14 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and thermodynamic insights into beta-1,2-glucooligosaccharide capture by a solute-binding protein inListeria innocua. J. Biol. Chem., 293, 2018
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5YJ9
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![BU of 5yj9 by Molmil](/molmil-images/mine/5yj9) | Crystal structure of Tribolium castaneum PINK1 kinase domain in complex with AMP-PNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase PINK1, ... | Authors: | Okatsu, K, Sato, Y, Fukai, S. | Deposit date: | 2017-10-09 | Release date: | 2018-07-25 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structural insights into ubiquitin phosphorylation by PINK1. Sci Rep, 8, 2018
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