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PDB: 9 件

7UYU
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BU of 7uyu by Molmil
Crystal structure of TYK2 kinase domain in complex with compound 30
分子名称: 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
著者Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E.
登録日2022-05-07
公開日2022-08-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
7UYR
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BU of 7uyr by Molmil
Crystal structure of TYK2 kinase domain in complex with compound 12
分子名称: 2-(4-{[2-(2,6-difluorophenyl)-5-oxo-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino}phenyl)-N-ethylacetamide, Non-receptor tyrosine-protein kinase TYK2
著者Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E.
登録日2022-05-07
公開日2022-08-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
7UYW
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BU of 7uyw by Molmil
Crystal structure of JAK2 kinase domain in complex with compound 30
分子名称: 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one, Tyrosine-protein kinase JAK2
著者Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E.
登録日2022-05-07
公開日2022-08-24
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
7UYT
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BU of 7uyt by Molmil
Crystal structure of TYK2 kinase domain in complex with compound 25
分子名称: 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E.
登録日2022-05-07
公開日2022-08-24
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
7UYV
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BU of 7uyv by Molmil
Crystal structure of JAK3 kinase domain in complex with compound 25
分子名称: 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide, CHLORIDE ION, Tyrosine-protein kinase JAK3
著者Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E.
登録日2022-05-07
公開日2022-08-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
7UYS
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BU of 7uys by Molmil
Crystal structure of TYK2 kinase domain in complex with compound 16
分子名称: 2-(2,6-difluorophenyl)-4-(4-methoxyanilino)-5H-pyrrolo[3,4-d]pyrimidin-5-one, Non-receptor tyrosine-protein kinase TYK2
著者Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E.
登録日2022-05-07
公開日2022-08-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
6A90
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BU of 6a90 by Molmil
Complex of voltage-gated sodium channel NavPaS from American cockroach Periplaneta americana and Dc1a
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, Mu-diguetoxin-Dc1a, ...
著者Shen, H.Z, li, Z.Q, Jiang, Y, Pan, X.J, Wu, J.P, Cristofori-Armstrong, B, Smith, J.J, Chin, Y.K.Y, Lei, J.L, Zhou, Q, King, G.F, Yan, N.
登録日2018-07-11
公開日2018-08-08
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis for the modulation of voltage-gated sodium channels by animal toxins.
Science, 362, 2018
6A95
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BU of 6a95 by Molmil
Complex of voltage-gated sodium channel NavPaS from American cockroach Periplaneta americana bound with tetrodotoxin and Dc1a
分子名称: (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shen, H.Z, li, Z.Q, Jiang, Y, Pan, X.J, Wu, J.P, Cristofori-Armstrong, B, Smith, J.J, Chin, Y.K.Y, Lei, J.L, Zhou, Q, King, G.F, Yan, N.
登録日2018-07-11
公開日2018-08-08
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural basis for the modulation of voltage-gated sodium channels by animal toxins.
Science, 362, 2018
6A91
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BU of 6a91 by Molmil
Complex of voltage-gated sodium channel NavPaS from American cockroach Periplaneta americana bound with saxitoxin and Dc1a
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shen, H.Z, li, Z.Q, Jiang, Y, Pan, X.J, Wu, J.P, Cristofori-Armstrong, B, Smith, J.J, Chin, Y.K.Y, Lei, J.L, Zhou, Q, King, G.F, Yan, N.
登録日2018-07-11
公開日2018-08-08
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis for the modulation of voltage-gated sodium channels by animal toxins.
Science, 362, 2018

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件を2024-08-21に公開中

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