6L04
| Crystal structure of uPA_H99Y in complex with 31F | 分子名称: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator | 著者 | Buckley, B, Jiang, L.G, Huang, M.D, Kelso, M, Ranson, M. | 登録日 | 2019-09-26 | 公開日 | 2020-09-30 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Crystal structure of uPA_H99Y in complex with 31F To Be Published
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6IC6
| Human cathepsin-C in complex with cyclopropyl peptidyl nitrile inhibitor 1 | 分子名称: | (2~{S})-~{N}-[(1~{R},2~{R})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J. | 登録日 | 2018-12-02 | 公開日 | 2019-04-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | 主引用文献 | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C. Biochem. Pharmacol., 164, 2019
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8CB5
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8CB8
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8CBP
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8AVA
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8AWH
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8AAV
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8BSE
| CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD) in complex with 1D1 Fab | 分子名称: | 1D1 FAB HEAVY CHAIN, 1D1 FAB LIGHT CHAIN, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Welin, M, Kimbung, Y.R, Focht, D, Pisitkun, T. | 登録日 | 2022-11-25 | 公開日 | 2023-05-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Efficacy of the combination of monoclonal antibodies against the SARS-CoV-2 Beta and Delta variants. Plos One, 18, 2023
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8BSF
| CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD-beta variant) in complex with 3D2 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3D2 FAB HEAVY CHAIN, 3D2 FAB LIGHT CHAIN, ... | 著者 | Welin, M, Kimbung, Y.R, Focht, D, Pisitkun, T. | 登録日 | 2022-11-25 | 公開日 | 2023-05-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Efficacy of the combination of monoclonal antibodies against the SARS-CoV-2 Beta and Delta variants. Plos One, 18, 2023
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8B5Q
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8B5S
| Crystal Structure of P. aeruginosa WaaG in complex with UDP-glucose | 分子名称: | UDP-glucose:(Heptosyl) LPS alpha 1,3-glucosyltransferase WaaG, URIDINE-5'-DIPHOSPHATE, URIDINE-5'-DIPHOSPHATE-GLUCOSE | 著者 | Scaletti, E, Gustafsson Westergren, R, Stenmark, P. | 登録日 | 2022-09-24 | 公開日 | 2023-10-04 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural and functional insights into the Pseudomonas aeruginosa glycosyltransferase WaaG and the implications for lipopolysaccharide biosynthesis. J.Biol.Chem., 299, 2023
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8BAV
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8BAN
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8BLR
| G13D mutant of KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation | 分子名称: | GTPase KRas, N-terminally processed, GUANOSINE-5'-DIPHOSPHATE | 著者 | Moche, M, Jungholm, O, Strandback, E, Ampah-Korsah, H, Nyman, T, Orwar, O. | 登録日 | 2022-11-10 | 公開日 | 2024-05-22 | 最終更新日 | 2024-09-11 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Novel druggable space in human KRAS G13D discovered using structural bioinformatics and a P-loop targeting monoclonal antibody. Sci Rep, 14, 2024
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8CGS
| Crystal structure of arsenite oxidase from Alcaligenes faecalis (Af Aio) bound to antimony oxyanion | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ... | 著者 | Engrola, F, Correia, M.A.S, Romao, M.J, Santos-Silva, T. | 登録日 | 2023-02-06 | 公開日 | 2023-07-12 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Arsenite oxidase in complex with antimonite and arsenite oxyanions: Insights into the catalytic mechanism. J.Biol.Chem., 299, 2023
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8CO0
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8CN4
| Pa.FabF-C164Q in complex with 5-acetamido-2-chlorobenzoic acid | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-acetamido-2-chloranyl-benzoic acid, DIMETHYL SULFOXIDE, ... | 著者 | Georgiou, C, Brenk, R. | 登録日 | 2023-02-21 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
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8CNG
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4R3C
| Crystal structure of p38 alpha MAP kinase in complex with a novel isoform selective drug candidate | 分子名称: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine, CHLORIDE ION, ... | 著者 | Grum-Tokars, V.L, Minasov, G, Roy, S.M, Anderson, W.F, Watterson, D.M. | 登録日 | 2014-08-14 | 公開日 | 2015-02-25 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Targeting human central nervous system protein kinases: An isoform selective p38 alpha MAPK inhibitor that attenuates disease progression in Alzheimer's disease mouse models. ACS Chem Neurosci, 6, 2015
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1KKG
| NMR Structure of Ribosome-Binding Factor A (RbfA) | 分子名称: | ribosome-binding factor A | 著者 | Huang, Y.J, Swapna, G.V.T, Rajan, P.K, Ke, H, Xia, B, Shukla, K, Inouye, M, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2001-12-07 | 公開日 | 2003-03-18 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution NMR Structure of Ribosome-binding Factor A (RbfA), A Cold-shock
Adaptation Protein from Escherichia coli J.Mol.Biol., 327, 2003
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8QK9
| Structure of E. coli LpxH in complex with JEDI-1444 | 分子名称: | 2-[methyl(methylsulfonyl)amino]-~{N}-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | 登録日 | 2023-09-14 | 公開日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria. Proc.Natl.Acad.Sci.USA, 121, 2024
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8QKA
| Structure of K. pneumoniae LpxH in complex with JEDI-852 | 分子名称: | 2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | 登録日 | 2023-09-14 | 公開日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria. Proc.Natl.Acad.Sci.USA, 121, 2024
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8R2J
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4YUA
| Glycogen phosphorylase in complex with ellagic acid | 分子名称: | 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione, Glycogen phosphorylase, muscle form, ... | 著者 | Kyriakis, E, Kantsadi, L.A, Stravodimos, A.G, Chatzileontiadou, S.M.D, Leonidas, D.D. | 登録日 | 2015-03-18 | 公開日 | 2015-05-13 | 最終更新日 | 2018-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Natural flavonoids as antidiabetic agents. The binding of gallic and ellagic acids to glycogen phosphorylase b. Febs Lett., 589, 2015
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