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4QYY
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BU of 4qyy by Molmil
Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State
分子名称: (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
著者Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A.
登録日2014-07-26
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase.
J.Med.Chem., 57, 2014
8HLT
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BU of 8hlt by Molmil
The co-crystal structure of DYRK2 with YK-2-99B
分子名称: (6-{[(4P)-4-(1,3-benzothiazol-5-yl)-5-fluoropyrimidin-2-yl]amino}pyridin-3-yl)(piperazin-1-yl)methanone, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Shen, H.T, Xiao, Y.B, Yuan, K, Yang, P, Li, Q.N.
登録日2022-12-01
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of Potent DYRK2 Inhibitors with High Selectivity, Great Solubility, and Excellent Safety Properties for the Treatment of Prostate Cancer.
J.Med.Chem., 66, 2023
7CFW
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BU of 7cfw by Molmil
Crystal structure of the receiver domain of sensor histidine kinase PA1611 (PA1611REC) from Pseudomonas aeruginosa PAO1 with calcium ion coordinated in the active site cleft
分子名称: CALCIUM ION, Histidine kinase
著者Chen, S.K, Guan, H.H, Wu, P.H, Lin, L.T, Wu, M.C, Chang, H.Y, Chen, N.C, Lin, C.C, Chuankhayan, P, Huang, Y.C, Lin, P.J, Chen, C.J.
登録日2020-06-29
公開日2020-11-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Structural insights into the histidine-containing phospho-transfer protein and receiver domain of sensor histidine kinase suggest a complex model in the two-component regulatory system in Pseudomonas aeruginosa
Iucrj, 7, 2020
5X45
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BU of 5x45 by Molmil
Crystal structure of 2A protease from Human rhinovirus C15
分子名称: ZINC ION, protease 2A
著者Ling, H, Yang, P, Shaw, N, Sun, Y, Wang, X.
登録日2017-02-10
公開日2018-02-21
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Structural view of the 2A protease from human rhinovirus C15.
Acta Crystallogr.,Sect.F, 74, 2018
5YWO
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BU of 5ywo by Molmil
Structure of JEV-2F2 Fab complex
分子名称: 2F2 heavy chain, 2F2 light chain, JEV E protein, ...
著者Qiu, X, Lei, Y.F, Yang, P, Gao, Q, Wang, N, Cao, L, Yuan, S, Wang, X, Xu, Z.K, Rao, Z.
登録日2017-11-29
公開日2018-03-21
最終更新日2018-09-12
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies
Nat Microbiol, 3, 2018
5YWP
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BU of 5ywp by Molmil
JEV-2H4 Fab complex
分子名称: 2H4 heavy chain, 2H4 light chain, JEV E protein, ...
著者Qiu, X.D, Lei, Y.F, Yang, P, Gao, Q, WANG, N, Cao, L, Yuan, S, Wang, X.X, Xu, Z.K, Rao, Z.H.
登録日2017-11-29
公開日2018-05-02
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies
Nat Microbiol, 3, 2018
5YWF
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BU of 5ywf by Molmil
Crystal structure of 2H4 Fab
分子名称: 2H4 heavy chain, 2H4 light chain
著者Qiu, X, Lei, Y, Yang, P, Gao, Q, Wang, N, Cao, L, Wang, X, Xu, Z.K, Rao, Z.
登録日2017-11-29
公開日2018-03-21
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies
Nat Microbiol, 3, 2018
5XBM
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BU of 5xbm by Molmil
Structure of SCARB2-JL2 complex
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, Lysosome membrane protein 2, ...
著者Zhang, X, Yang, P, Wang, N, Zhang, J, Li, J, Guo, H, Yin, X, Rao, Z, Wang, X, Zhang, L.
登録日2017-03-20
公開日2018-06-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.501 Å)
主引用文献The binding of a monoclonal antibody to the apical region of SCARB2 blocks EV71 infection.
Protein Cell, 8, 2017
5YL0
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BU of 5yl0 by Molmil
The crystal structure of Penaeus vannamei nodavirus P-domain (P212121)
分子名称: Capsid protein
著者Chen, N.C, Yoshimura, M, Lin, C.C, Guan, H.H, Chuankhayan, P, Chen, C.J.
登録日2017-10-16
公開日2018-10-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献The atomic structures of shrimp nodaviruses reveal new dimeric spike structures and particle polymorphism.
Commun Biol, 2, 2019
5YKX
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BU of 5ykx by Molmil
The crystal structure of Macrobrachium rosenbergii nodavirus P-domain with Cd ion
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, Capsid protein, ...
著者Chen, N.C, Yoshimura, M, Lin, C.C, Guan, H.H, Chuankhayan, P, Chen, C.J.
登録日2017-10-16
公開日2018-10-24
最終更新日2019-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The atomic structures of shrimp nodaviruses reveal new dimeric spike structures and particle polymorphism.
Commun Biol, 2, 2019
5YKZ
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BU of 5ykz by Molmil
The crystal structure of Penaeus vannamei nodavirus P-domain (P21)
分子名称: Capsid protein
著者Chen, N.C, Yoshimura, M, Lin, C.C, Guan, H.H, Chuankhayan, P, Chen, C.J.
登録日2017-10-16
公開日2018-10-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献The atomic structures of shrimp nodaviruses reveal new dimeric spike structures and particle polymorphism.
Commun Biol, 2, 2019
5YKV
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BU of 5ykv by Molmil
The crystal structure of Macrobrachium rosenbergii nodavirus P-domain
分子名称: Capsid protein
著者Chen, N.C, Yoshimura, M, Lin, C.C, Guan, H.H, Chuankhayan, P, Chen, C.J.
登録日2017-10-16
公開日2018-10-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献The atomic structures of shrimp nodaviruses reveal new dimeric spike structures and particle polymorphism.
Commun Biol, 2, 2019
5YKU
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BU of 5yku by Molmil
The crystal structure of Macrobrachium rosenbergii nodavirus P-domain with Zn ions
分子名称: Capsid protein, ZINC ION
著者Chen, N.C, Yoshimura, M, Lin, C.C, Guan, H.H, Chuankhayan, P, Chen, C.J.
登録日2017-10-16
公開日2018-10-24
最終更新日2019-03-13
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献The atomic structures of shrimp nodaviruses reveal new dimeric spike structures and particle polymorphism.
Commun Biol, 2, 2019
5YL1
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BU of 5yl1 by Molmil
T=1 subviral particle of Penaeus vannamei nodavirus capsid protein deletion mutant (delta 1-37 & 251-368)
分子名称: CALCIUM ION, Capsid protein
著者Chen, N.C, Yoshimura, M, Lin, C.C, Guan, H.H, Chuankhayan, P, Chen, C.J.
登録日2017-10-16
公開日2018-12-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献The atomic structures of shrimp nodaviruses reveal new dimeric spike structures and particle polymorphism.
Commun Biol, 2, 2019
7YUY
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BU of 7yuy by Molmil
Structure of a mutated membrane-bound glycosyltransferase
分子名称: (11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Hu, X.L, Yang, P, Zhang, M, Liu, X.T, Yu, H.J.
登録日2022-08-18
公開日2023-03-29
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural and mechanistic insights into fungal beta-1,3-glucan synthase FKS1.
Nature, 616, 2023
7XPE
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BU of 7xpe by Molmil
Cryo-EM structure of the T=4 lake sinai virus 2 virus-like capsid at pH 8.5
分子名称: Capsid protein alpha
著者Chen, N.C, Wang, C.H, Chen, C.J, Yoshimura, M, Guan, H.H, Chuankhayan, P, Lin, C.C.
登録日2022-05-04
公開日2023-02-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Structures of honeybee-infecting Lake Sinai virus reveal domain functions and capsid assembly with dynamic motions.
Nat Commun, 14, 2023
7XGZ
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BU of 7xgz by Molmil
Cryo-EM structure of the T=4 lake sinai virus 2 virus-like capsid at pH 7.5
分子名称: Capsid protein alpha
著者Chen, N.C, Wang, C.H, Chen, C.J, Yoshimura, M, Guan, H.H, Chuankhayan, P, Lin, C.C.
登録日2022-04-07
公開日2023-02-08
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Structures of honeybee-infecting Lake Sinai virus reveal domain functions and capsid assembly with dynamic motions
Nat Commun, 14, 2023
7XPA
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BU of 7xpa by Molmil
Cryo-EM structure of the T=3 lake sinai virus 2 virus-like capsid at pH 7.5
分子名称: Capsid protein alpha
著者Chen, N.C, Wang, C.H, Chen, C.J, Yoshimura, M, Guan, H.H, Chuankhayan, P, Lin, C.C.
登録日2022-05-04
公開日2023-02-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Structures of honeybee-infecting Lake Sinai virus reveal domain functions and capsid assembly with dynamic motions.
Nat Commun, 14, 2023
7XPD
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BU of 7xpd by Molmil
Cryo-EM structure of the T=3 lake sinai virus 2 virus-like capsid at pH 6.5
分子名称: Capsid protein alpha
著者Chen, N.C, Wang, C.H, Chen, C.J, Yoshimura, M, Guan, H.H, Chuankhayan, P, Lin, C.C.
登録日2022-05-04
公開日2023-02-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献Structures of honeybee-infecting Lake Sinai virus reveal domain functions and capsid assembly with dynamic motions.
Nat Commun, 14, 2023
7XPF
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BU of 7xpf by Molmil
Cryo-EM structure of the T=3 lake sinai virus 2 virus-like capsid at pH 8.5
分子名称: Capsid protein alpha
著者Chen, N.C, Wang, C.H, Chen, C.J, Yoshimura, M, Guan, H.H, Chuankhayan, P, Lin, C.C.
登録日2022-05-04
公開日2023-02-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Structures of honeybee-infecting Lake Sinai virus reveal domain functions and capsid assembly with dynamic motions.
Nat Commun, 14, 2023
7XPB
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BU of 7xpb by Molmil
Cryo-EM structure of the T=4 lake sinai virus 2 virus-like capsid at pH 6.5
分子名称: Capsid protein alpha
著者Chen, N.C, Wang, C.H, Chen, C.J, Yoshimura, M, Guan, H.H, Chuankhayan, P, Lin, C.C.
登録日2022-05-04
公開日2023-02-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献Structures of honeybee-infecting Lake Sinai virus reveal domain functions and capsid assembly with dynamic motions.
Nat Commun, 14, 2023
7XPG
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BU of 7xpg by Molmil
Cryo-EM structure of the T=3 lake sinai virus 1 (delta-N48) virus-like capsid at pH 6.5
分子名称: Capsid protein alpha, RNA (5'-R(P*UP*G)-3')
著者Chen, N.C, Wang, C.H, Chen, C.J, Yoshimura, M, Guan, H.H, Chuankhayan, P, Lin, C.C.
登録日2022-05-04
公開日2023-02-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献Structures of honeybee-infecting Lake Sinai virus reveal domain functions and capsid assembly with dynamic motions.
Nat Commun, 14, 2023
7VUN
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BU of 7vun by Molmil
Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction
分子名称: (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid, Programmed cell death 1 ligand 1
著者Cheng, Y, Sun, C.L, Chen, M.R, Yang, P, Xiao, Y.B.
登録日2021-11-03
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Novel phthalimides regulating PD-1/PD-L1 interaction as potential immunotherapy agents.
Acta Pharm Sin B, 12, 2022
7EJV
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BU of 7ejv by Molmil
The co-crystal structure of DYRK2 with YK-2-69
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone
著者Li, Z, Xiao, Y, Yuan, K, Kuang, W, Xiuquan, Y, Yang, P.
登録日2021-04-02
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting dual-specificity tyrosine phosphorylation-regulated kinase 2 with a highly selective inhibitor for the treatment of prostate cancer.
Nat Commun, 13, 2022
7XE4
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structure of a membrane-bound glycosyltransferase
分子名称: (11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Hu, X.L, Yang, P, Zhang, M, Liu, X.T, Yu, H.J.
登録日2022-03-29
公開日2023-03-29
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural and mechanistic insights into fungal beta-1,3-glucan synthase FKS1.
Nature, 616, 2023

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