8S99
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![BU of 8s99 by Molmil](/molmil-images/mine/8s99) | Crystal structure of the TYK2 pseudokinase domain in complex with compound 11 | 分子名称: | (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | 著者 | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | 登録日 | 2023-03-27 | 公開日 | 2023-07-26 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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8S9A
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![BU of 8s9a by Molmil](/molmil-images/mine/8s9a) | Crystal structure of the TYK2 pseudokinase domain in complex with TAK-279 | 分子名称: | (8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | 著者 | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | 登録日 | 2023-03-27 | 公開日 | 2023-07-26 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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8S98
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![BU of 8s98 by Molmil](/molmil-images/mine/8s98) | Crystal structure of the TYK2 pseudokinase domain in complex with compound 8 | 分子名称: | (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | 登録日 | 2023-03-27 | 公開日 | 2023-07-26 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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7ALV
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![BU of 7alv by Molmil](/molmil-images/mine/7alv) | |
7SZR
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![BU of 7szr by Molmil](/molmil-images/mine/7szr) | NIK bound to inhibitor G02792917 | 分子名称: | 1-(3-{[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl}phenyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | 著者 | Liau, N.P.D, Hymowitz, S.G. | 登録日 | 2021-11-29 | 公開日 | 2023-06-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Filling a nick in NIK: Extending the half-life of a NIK inhibitor through structure-based drug design. Bioorg.Med.Chem.Lett., 89, 2023
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8B7H
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6EK6
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![BU of 6ek6 by Molmil](/molmil-images/mine/6ek6) | Crystal structure of KDM5B in complex with S49195a. | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ... | 著者 | Srikannathasan, V, Szykowska, A, Newman, J.A, Ruda, G.F, Strain-Damerell, C, Burgess-Brown, N.A, Vazquez-Rodriguez, S, Wright, M, Brennan, P.E, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | 登録日 | 2017-09-25 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Crystal structure of KDM5B in complex with S49195a. To be published
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2KXG
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![BU of 2kxg by Molmil](/molmil-images/mine/2kxg) | The solution structure of the squash aspartic acid proteinase inhibitor (SQAPI) | 分子名称: | Aspartic protease inhibitor | 著者 | Headey, S.J, Macaskill, U.K, Wright, M, Claridge, J.K, Edwards, P.J.B, Farley, P.C, Christeller, J.T, Laing, W.A, Pascal, S.M. | 登録日 | 2010-05-05 | 公開日 | 2010-06-09 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the squash aspartic acid proteinase inhibitor (SQAPI) and mutational analysis of pepsin inhibition. J.Biol.Chem., 285, 2010
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5FUC
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![BU of 5fuc by Molmil](/molmil-images/mine/5fuc) | Biophysical and cellular characterisation of a junctional epitope antibody that locks IL-6 and gp80 together in a stable complex: implications for new therapeutic strategies | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, INTERLEUKIN-6, INTERLEUKIN-6 RECEPTOR SUBUNIT ALPHA, ... | 著者 | Adams, R, Griffin, R, Doyle, C, Ettorre, A. | 登録日 | 2016-01-25 | 公開日 | 2017-01-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of a junctional epitope antibody that stabilizes IL-6 and gp80 protein:protein interaction and modulates its downstream signaling. Sci Rep, 7, 2017
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4J4P
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6EJ1
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![BU of 6ej1 by Molmil](/molmil-images/mine/6ej1) | Crystal structure of KDM5B in complex with KDOPZ48a. | 分子名称: | 1,2-ETHANEDIOL, 5-[1-[1-(2-chloranylethanoyl)piperidin-4-yl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | 登録日 | 2017-09-19 | 公開日 | 2018-05-02 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Crystal structure of KDM5B in complex with KDOPZ48a. to be published
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6EIN
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![BU of 6ein by Molmil](/molmil-images/mine/6ein) | Crystal structure of KDM5B in complex with S49365a. | 分子名称: | 1,2-ETHANEDIOL, 8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ... | 著者 | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | 登録日 | 2017-09-19 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Crystal structure of KDM5B in complex with S49365a. To Be Published
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6EIY
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![BU of 6eiy by Molmil](/molmil-images/mine/6eiy) | Crystal structure of KDM5B in complex with KDOPZ000034a. | 分子名称: | 1,2-ETHANEDIOL, 2-chloranyl-~{N}-[2-[4-(3-cyano-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]ethanamide, DIMETHYL SULFOXIDE, ... | 著者 | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | 登録日 | 2017-09-19 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Crystal structure of KDM5B in complex with KDOPZ000034a. to be published
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6EJ0
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![BU of 6ej0 by Molmil](/molmil-images/mine/6ej0) | Crystal structure of KDM5B in complex with KDOPZ000049a. | 分子名称: | 1,2-ETHANEDIOL, 7-oxidanylidene-6-propan-2-yl-5-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | 登録日 | 2017-09-19 | 公開日 | 2018-05-02 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Crystal structure of KDM5B in complex with KDOPZ000049a. to be published
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6EIU
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![BU of 6eiu by Molmil](/molmil-images/mine/6eiu) | Crystal structure of KDM5B in complex with KDOPZ29a | 分子名称: | 1,2-ETHANEDIOL, 8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | 登録日 | 2017-09-19 | 公開日 | 2018-05-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Crystal structure of KDM5B in complex with KDOPZ29a. to be published
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8BBO
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![BU of 8bbo by Molmil](/molmil-images/mine/8bbo) | SARS-CoV-2 Delta-RBD complexed with BA.2-36 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IGH@ protein, Immunoglobulin kappa light chain, ... | 著者 | Zhou, D, Ren, J, Stuart, D.I. | 登録日 | 2022-10-14 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Rapid escape of new SARS-CoV-2 Omicron variants from BA.2-directed antibody responses. Cell Rep, 42, 2023
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8BBN
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![BU of 8bbn by Molmil](/molmil-images/mine/8bbn) | SARS-CoV-2 Delta-RBD complexed with BA.2-10 and EY6A Fabs | 分子名称: | BA.2-10 heavy chain, BA.2-10 light chain, EY6A Heavy chain, ... | 著者 | Zhou, D, Ren, J, Stuart, D.I. | 登録日 | 2022-10-14 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.58 Å) | 主引用文献 | Rapid escape of new SARS-CoV-2 Omicron variants from BA.2-directed antibody responses. Cell Rep, 42, 2023
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8BCZ
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![BU of 8bcz by Molmil](/molmil-images/mine/8bcz) | SARS-CoV-2 Delta-RBD complexed with Fabs BA.2-36, BA.2-23, EY6A and COVOX-45 | 分子名称: | BA.2-23 heavy chain, BA.2-23 light chain, BA.2-36 heavy chain, ... | 著者 | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | 登録日 | 2022-10-17 | 公開日 | 2023-03-22 | 最終更新日 | 2023-04-12 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Rapid escape of new SARS-CoV-2 Omicron variants from BA.2-directed antibody responses. Cell Rep, 42, 2023
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8QRG
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![BU of 8qrg by Molmil](/molmil-images/mine/8qrg) | SARS-CoV-2 delta RBD complexed with XBB-2 Fab and NbC1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, NbC1, ... | 著者 | Zhou, D, Ren, J, Stuart, D.I. | 登録日 | 2023-10-07 | 公開日 | 2024-05-08 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity. Cell Rep Med, 5, 2024
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8QSQ
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8QTD
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![BU of 8qtd by Molmil](/molmil-images/mine/8qtd) | Local refinement of SARS-CoV-2 BA.2.86 Spike and XBB-7 Fab | 分子名称: | Spike glycoprotein,Fibritin, XBB-7 fab heavy chain, XBB-7 fab light chain | 著者 | Ren, J, Duyvesteyn, H.M.E, Stuart, D.I. | 登録日 | 2023-10-12 | 公開日 | 2024-05-08 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity. Cell Rep Med, 5, 2024
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8QRF
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![BU of 8qrf by Molmil](/molmil-images/mine/8qrf) | SARS-CoV-2 delta RBD complexed with XBB-6 and beta-49 Fabs | 分子名称: | Beta-49 heavy chain, Beta-49 light chain, Spike protein S1, ... | 著者 | Zhou, D, Ren, J, Stuart, D.I. | 登録日 | 2023-10-06 | 公開日 | 2024-05-08 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity. Cell Rep Med, 5, 2024
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8R8K
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8R80
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![BU of 8r80 by Molmil](/molmil-images/mine/8r80) | SARS-CoV-2 Delta RBD in complex with XBB-9 Fab and an anti-Fab nanobody | 分子名称: | Spike protein S1, XBB-9 Fab heavy chain, XBB-9 Fab light chain, ... | 著者 | Zhou, D, Ren, J, Stuart, D.I. | 登録日 | 2023-11-27 | 公開日 | 2024-05-08 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (4.03 Å) | 主引用文献 | A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity. Cell Rep Med, 5, 2024
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8C3V
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![BU of 8c3v by Molmil](/molmil-images/mine/8c3v) | SARS-CoV-2 Delta-RBD complexed with BA.2-13 Fab and C1 nanobody | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, BA.2-13 heavy chain, BA.2-13 light chain, ... | 著者 | Zhou, D, Ren, J, Stuart, D.I. | 登録日 | 2022-12-28 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Rapid escape of new SARS-CoV-2 Omicron variants from BA.2-directed antibody responses. Cell Rep, 42, 2023
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