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6ITJ
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BU of 6itj by Molmil
Crystal structure of FGFR1 kinase domain in complex with compound 3
分子名称: 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one, Fibroblast growth factor receptor 1
著者Xu, Y, Liu, Q.
登録日2018-11-23
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.994 Å)
主引用文献Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
6IUP
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BU of 6iup by Molmil
Crystal structure of FGFR4 kinase domain in complex with compound 5
分子名称: DIMETHYL SULFOXIDE, Fibroblast growth factor receptor 4, N-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide
著者Xu, Y, Liu, Q.
登録日2018-11-29
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
6IDZ
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BU of 6idz by Molmil
Crystal structure of H7 hemagglutinin mutant H7-SVTQ ( A138S, P221T, L226Q) with 3'SLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
著者Gao, G.F, Xu, Y, Qi, J.X.
登録日2018-09-12
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.707 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6ID8
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BU of 6id8 by Molmil
Crystal structure of H7 hemagglutinin mutant H7-SVTL ( A138S, P221T) from the influenza virus A/Anhui/1/2013 (H7N9)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
著者Gao, G.F, Xu, Y, Qi, J.X.
登録日2018-09-09
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6IDA
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BU of 6ida by Molmil
Crystal structure of H7 hemagglutinin mutant H7-SVTQ ( A138S, P221T, L226Q) from the influenza virus A/Anhui/1/2013 (H7N9)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
著者Gao, G.F, Xu, Y, Qi, J.X.
登録日2018-09-09
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.104 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6ID3
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BU of 6id3 by Molmil
Crystal structure of H7 hemagglutinin mutant H7-SGPL ( A138S, V186G) from the influenza virus A/Anhui/1/2013 (H7N9)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
著者Gao, G.F, Xu, Y, Qi, J.X.
登録日2018-09-08
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6IDD
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BU of 6idd by Molmil
Crystal structure of H7 hemagglutinin mutant SH1-AVPL ( S138A, G186V, T221P, Q226L) from the influenza virus A/Shanghai/1/2013 (H7N9)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
著者Gao, G.F, Xu, Y, Qi, J.X.
登録日2018-09-09
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.383 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6ICX
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BU of 6icx by Molmil
Crystal structure of H7 hemagglutinin mutant AH-AGPL (V186G) from the influenza virus A/Anhui/1/2013 (H7N9)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
著者Gao, G.F, Xu, Y, Qi, J.X.
登録日2018-09-07
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6ID9
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BU of 6id9 by Molmil
Crystal structure of H7 hemagglutinin mutant H7-SGTL ( A138S, V186G, P221T) from the influenza virus A/Anhui/1/2013 (H7N9)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
著者Gao, G.F, Xu, Y, Qi, J.X.
登録日2018-09-09
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6ICW
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BU of 6icw by Molmil
Crystal structure of H7 hemagglutinin mutant AH-SGTQ (A138S, V186G, P221T and L226Q) from the influenza virus A/Anhui/1/2013 (H7N9)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
著者Gao, G.F, Xu, Y.
登録日2018-09-07
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6ID2
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BU of 6id2 by Molmil
Crystal structure of H7 hemagglutinin mutant H7-AVTL (P221T) from the influenza virus A/Anhui/1/2013 (H7N9)
分子名称: Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
著者Gao, G.F, Xu, Y, Qi, J.X.
登録日2018-09-08
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.705 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6ID5
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BU of 6id5 by Molmil
Crystal structure of H7 hemagglutinin mutant H7-SVPL ( A138S) from the influenza virus A/Anhui/1/2013 (H7N9)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
著者Gao, G.F, Xu, Y, Qi, J.X.
登録日2018-09-08
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6ICY
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BU of 6icy by Molmil
Crystal structure of H7 hemagglutinin mutant H7-AGTL ( V186G, P221T) from the influenza virus A/Anhui/1/2013 (H7N9)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
著者Gao, G.F, Xu, Y, Qi, J.X.
登録日2018-09-07
公開日2019-11-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6IDB
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BU of 6idb by Molmil
Crystal structure of H7 hemagglutinin mutant H7-SVTQ ( A138S, P221T, L226Q) with 6'SLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
著者Gao, G.F, Xu, Y, Qi, J.X.
登録日2018-09-09
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6L54
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BU of 6l54 by Molmil
Structure of SMG189
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein SMG8, ...
著者Xu, Y, Qi, Y.
登録日2019-10-22
公開日2020-04-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献Cryo-EM structure of SMG1-SMG8-SMG9 complex.
Cell Res., 29, 2019
6L53
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BU of 6l53 by Molmil
Structure of SMG1
分子名称: Serine/threonine-protein kinase SMG1
著者Xu, Y, Qi, Y.
登録日2019-10-22
公開日2020-04-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.63 Å)
主引用文献Cryo-EM structure of SMG1-SMG8-SMG9 complex.
Cell Res., 29, 2019
7DDX
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BU of 7ddx by Molmil
Crystal structure of KANK1 S1179F mutant in complex wtih eIF4A1
分子名称: Eukaryotic initiation factor 4A-I, GLYCEROL, KN motif and ankyrin repeat domains 1, ...
著者Pan, W, Xu, Y, Wei, Z.
登録日2020-10-30
公開日2021-09-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Nephrotic-syndrome-associated mutation of KANK2 induces pathologic binding competition with physiological interactor KIF21A.
J.Biol.Chem., 297, 2021
7DGU
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BU of 7dgu by Molmil
De novo designed protein H4A1R
分子名称: de novo designed protein H4A1R
著者Xu, Y, Liao, S, Chen, Q, Liu, H.
登録日2020-11-12
公開日2021-11-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7DGW
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BU of 7dgw by Molmil
De novo designed protein H4A2S
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, de novo designed protein H4A2S
著者Xu, Y, Liao, S, Chen, Q, Liu, H.
登録日2020-11-12
公開日2021-11-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7DMF
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BU of 7dmf by Molmil
A de novo protein that rigidly extends the structure of tVHS-like domain in tepsin with a new designed domain
分子名称: Designed protein EXTD-3
著者Xu, Y.
登録日2020-12-03
公開日2021-12-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7DGY
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BU of 7dgy by Molmil
De novo designed protein H4C2R
分子名称: de novo designed protein H4C2R
著者Xu, Y, Liao, S, Chen, Q, Liu, H.
登録日2020-11-12
公開日2021-12-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
4WQN
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BU of 4wqn by Molmil
Crystal structure of N6-methyladenosine RNA reader YTHDF2
分子名称: 1,2-ETHANEDIOL, GLYCEROL, YTH domain-containing family protein 2
著者Zhu, T, Roundtree, I.A, Wang, P, Wang, X, Wang, L, Sun, C, Tian, Y, Li, J, He, C, Xu, Y.
登録日2014-10-22
公開日2014-11-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.121 Å)
主引用文献Crystal structure of the YTH domain of YTHDF2 reveals mechanism for recognition of N6-methyladenosine.
Cell Res., 24, 2014
7MYN
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BU of 7myn by Molmil
Cryo-EM Structure of p110alpha in complex with p85alpha
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K.
登録日2021-05-21
公開日2021-11-10
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7MYO
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BU of 7myo by Molmil
Cryo-EM structure of p110alpha in complex with p85alpha inhibited by BYL-719
分子名称: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K.
登録日2021-05-21
公開日2021-11-10
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
1SJ6
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BU of 1sj6 by Molmil
NMR Structure and Regulated Expression in APL Cell of Human SH3BGRL3
分子名称: SH3 domain-binding glutamic acid-rich-like protein 3
著者Xu, C, Tang, Y, Xu, Y, Wu, J, Shi, Y, Zhang, Q, Zheng, P, Du, Y.
登録日2004-03-03
公開日2005-03-22
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献NMR structure and regulated expression in APL cell of human SH3BGRL3.
Febs Lett., 579, 2005

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