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2XCF
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CRYSTAL STRUCTURE OF HCV NS3 PROTEASE WITH A BORONATE INHIBITOR
分子名称:NS3 PROTEASE, NS4A, ZINC ION, ...
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
2XCN
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CRYSTAL STRUCTURE OF HCV NS3 PROTEASE WITH A BORONATE INHIBITOR
分子名称:NS3 PROTEASE, NS4A, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, ...
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
6HHO
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CRYSTAL STRUCTURE OF RIP1 KINASE IN COMPLEX WITH GSK547
分子名称:Receptor-interacting serine/threonine-protein kinase 1, 6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile
著者Thorpe, J.H., Harris, P.A.
登録日2018-08-28
公開日2018-12-12
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献RIP1 Kinase Drives Macrophage-Mediated Adaptive Immune Tolerance in Pancreatic Cancer.
Cancer Cell, 34, 2018
6QFE
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CRYSTAL STRUCTURE OF HUMAN KALLIKREIN 5 IN COMPLEX WITH GSK144
分子名称:Kallikrein-5, N-ACETYL-D-GLUCOSAMINE, SODIUM ION, ...
著者Thorpe, J.H.
登録日2019-01-10
公開日2019-05-08
最終更新日2019-05-15
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
6QFF
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CRYSTAL STRUCTURE OF HUMAN KALLIKREIN 6 IN COMPLEX WITH GSK144
分子名称:Kallikrein-6, 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL
著者Thorpe, J.H.
登録日2019-01-10
公開日2019-05-08
最終更新日2019-05-15
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
6QFG
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CRYSTAL STRUCTURE OF HUMAN KALLIKREIN 6 (I218Y) IN COMPLEX WITH GSK144
分子名称:Kallikrein-6, GLYCEROL, 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2019-05-15
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
6QFH
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CRYSTAL STRUCTURE OF HUMAN KALLIKREIN 6 (N217D/I218Y/K224R) IN COMPLEX WITH GSK144.
分子名称:Kallikrein-6, 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL
著者Thorpe, J.H.
登録日2019-01-10
公開日2019-05-08
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.65 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
6SKB
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CRYSTAL STRUCTURE OF HUMAN KALLIKREIN 6 (N217D/I218Y/K224R) IN COMPLEX WITH GSK3496783A
分子名称:Kallikrein-6, 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, 4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, ...
著者Thorpe, J.H.
登録日2019-08-15
公開日2019-09-25
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
6SKC
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CRYSTAL STRUCTURE OF HUMAN KALLIKREIN 6 (I218Y) IN COMPLEX WITH GSK3448330A
分子名称:Kallikrein-6, 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]benzenecarboximidamide, BENZAMIDINE, ...
著者Thorpe, J.H.
登録日2019-08-15
公開日2019-09-25
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
6SKD
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CRYSTAL STRUCTURE OF HUMAN KALLIKREIN 6 (I218Y) IN COMPLEX WITH GSK3397892A
分子名称:Kallikrein-6, UNKNOWN ATOM OR ION, 4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide, ...
著者Thorpe, J.H.
登録日2019-08-15
公開日2019-09-25
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019