2XCN
| Crystal structure of HCV NS3 protease with a boronate inhibitor | 分子名称: | MAGNESIUM ION, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, NS3 PROTEASE, ... | 著者 | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | 登録日 | 2010-04-23 | 公開日 | 2010-06-02 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | 主引用文献 | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease. Bioorg.Med.Chem.Lett., 20, 2010
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2XCF
| Crystal structure of HCV NS3 protease with a boronate inhibitor | 分子名称: | CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, MAGNESIUM ION, NS3 PROTEASE, ... | 著者 | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | 登録日 | 2010-04-22 | 公開日 | 2010-06-02 | 最終更新日 | 2019-02-06 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease. Bioorg.Med.Chem.Lett., 20, 2010
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6QH9
| Crystal Structure of Human Kallikrein 6 in complex with GSK3239861A | 分子名称: | (3~{R})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide, (3~{S})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide, GLYCEROL, ... | 著者 | Thorpe, J.H. | 登録日 | 2019-01-16 | 公開日 | 2019-02-06 | 最終更新日 | 2019-02-27 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome. Bioorg. Med. Chem. Lett., 29, 2019
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6QHC
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6QHA
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6QHB
| Crystal Structure of Human Kallikrein 6 in complex with GSK578724A | 分子名称: | GLYCEROL, Kallikrein-6, ~{N}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide | 著者 | Thorpe, J.H. | 登録日 | 2019-01-16 | 公開日 | 2019-02-06 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome. Bioorg. Med. Chem. Lett., 29, 2019
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6OCQ
| Crystal structure of RIP1 kinase in complex with a pyrrolidine | 分子名称: | 1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one, Receptor-interacting serine/threonine-protein kinase 1, SULFATE ION | 著者 | Thorpe, J.H, Harris, P.A. | 登録日 | 2019-03-25 | 公開日 | 2019-05-08 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.793 Å) | 主引用文献 | Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase. J.Med.Chem., 62, 2019
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6QFG
| Crystal Structure of Human Kallikrein 6 (I218Y) in complex with GSK144 | 分子名称: | 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, Kallikrein-6 | 著者 | Thorpe, J.H. | 登録日 | 2019-01-10 | 公開日 | 2019-05-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome. Acta Crystallogr.,Sect.F, 75, 2019
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6QFE
| Crystal Structure of Human Kallikrein 5 in complex with GSK144 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, ... | 著者 | Thorpe, J.H. | 登録日 | 2019-01-10 | 公開日 | 2019-05-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome. Acta Crystallogr.,Sect.F, 75, 2019
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6QFH
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6QFF
| Crystal Structure of Human Kallikrein 6 in complex with GSK144 | 分子名称: | 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, Kallikrein-6 | 著者 | Thorpe, J.H. | 登録日 | 2019-01-10 | 公開日 | 2019-05-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome. Acta Crystallogr.,Sect.F, 75, 2019
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6R5F
| Crystal structure of RIP1 kinase in complex with DHP77 | 分子名称: | Receptor-interacting serine/threonine-protein kinase 1, [(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone | 著者 | Thorpe, J.H, Campobasso, N, Harris, P.A. | 登録日 | 2019-03-25 | 公開日 | 2019-05-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase. J.Med.Chem., 62, 2019
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