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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
Descriptor: (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
Authors: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.
Deposit date:2014-07-26
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: (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
Authors:Shen, H.T, Xiao, Y.B, Yuan, K, Yang, P, Li, Q.N.
Deposit date:2022-12-01
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: CALCIUM ION, Histidine kinase
Authors: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.
Deposit date:2020-06-29
Release date:2020-11-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.31 Å)
Cite: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
Descriptor: ZINC ION, protease 2A
Authors:Ling, H, Yang, P, Shaw, N, Sun, Y, Wang, X.
Deposit date:2017-02-10
Release date:2018-02-21
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.602 Å)
Cite: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
Descriptor: 2F2 heavy chain, 2F2 light chain, JEV E protein, ...
Authors:Qiu, X, Lei, Y.F, Yang, P, Gao, Q, Wang, N, Cao, L, Yuan, S, Wang, X, Xu, Z.K, Rao, Z.
Deposit date:2017-11-29
Release date:2018-03-21
Last modified:2018-09-12
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite: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
Descriptor: 2H4 heavy chain, 2H4 light chain, JEV E protein, ...
Authors: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.
Deposit date:2017-11-29
Release date:2018-05-02
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite: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
Descriptor: 2H4 heavy chain, 2H4 light chain
Authors:Qiu, X, Lei, Y, Yang, P, Gao, Q, Wang, N, Cao, L, Wang, X, Xu, Z.K, Rao, Z.
Deposit date:2017-11-29
Release date:2018-03-21
Method:X-RAY DIFFRACTION (2.206 Å)
Cite: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
Descriptor: 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, ...
Authors:Zhang, X, Yang, P, Wang, N, Zhang, J, Li, J, Guo, H, Yin, X, Rao, Z, Wang, X, Zhang, L.
Deposit date:2017-03-20
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.501 Å)
Cite: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)
Descriptor: Capsid protein
Authors:Chen, N.C, Yoshimura, M, Lin, C.C, Guan, H.H, Chuankhayan, P, Chen, C.J.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.22 Å)
Cite: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
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, Capsid protein, ...
Authors:Chen, N.C, Yoshimura, M, Lin, C.C, Guan, H.H, Chuankhayan, P, Chen, C.J.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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)
Descriptor: Capsid protein
Authors:Chen, N.C, Yoshimura, M, Lin, C.C, Guan, H.H, Chuankhayan, P, Chen, C.J.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.17 Å)
Cite: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
Descriptor: Capsid protein
Authors:Chen, N.C, Yoshimura, M, Lin, C.C, Guan, H.H, Chuankhayan, P, Chen, C.J.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite: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
Descriptor: Capsid protein, ZINC ION
Authors:Chen, N.C, Yoshimura, M, Lin, C.C, Guan, H.H, Chuankhayan, P, Chen, C.J.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (1.39 Å)
Cite: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)
Descriptor: CALCIUM ION, Capsid protein
Authors:Chen, N.C, Yoshimura, M, Lin, C.C, Guan, H.H, Chuankhayan, P, Chen, C.J.
Deposit date:2017-10-16
Release date:2018-12-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.12 Å)
Cite: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
Descriptor: (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, ...
Authors:Hu, X.L, Yang, P, Zhang, M, Liu, X.T, Yu, H.J.
Deposit date:2022-08-18
Release date:2023-03-29
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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
Descriptor: Capsid protein alpha
Authors:Chen, N.C, Wang, C.H, Chen, C.J, Yoshimura, M, Guan, H.H, Chuankhayan, P, Lin, C.C.
Deposit date:2022-05-04
Release date:2023-02-08
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite: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
Descriptor: Capsid protein alpha
Authors:Chen, N.C, Wang, C.H, Chen, C.J, Yoshimura, M, Guan, H.H, Chuankhayan, P, Lin, C.C.
Deposit date:2022-04-07
Release date:2023-02-08
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite: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
Descriptor: Capsid protein alpha
Authors:Chen, N.C, Wang, C.H, Chen, C.J, Yoshimura, M, Guan, H.H, Chuankhayan, P, Lin, C.C.
Deposit date:2022-05-04
Release date:2023-02-08
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite: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
Descriptor: Capsid protein alpha
Authors:Chen, N.C, Wang, C.H, Chen, C.J, Yoshimura, M, Guan, H.H, Chuankhayan, P, Lin, C.C.
Deposit date:2022-05-04
Release date:2023-02-08
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.74 Å)
Cite: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
Descriptor: Capsid protein alpha
Authors:Chen, N.C, Wang, C.H, Chen, C.J, Yoshimura, M, Guan, H.H, Chuankhayan, P, Lin, C.C.
Deposit date:2022-05-04
Release date:2023-02-08
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite: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
Descriptor: Capsid protein alpha
Authors:Chen, N.C, Wang, C.H, Chen, C.J, Yoshimura, M, Guan, H.H, Chuankhayan, P, Lin, C.C.
Deposit date:2022-05-04
Release date:2023-02-08
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite: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
Descriptor: Capsid protein alpha, RNA (5'-R(P*UP*G)-3')
Authors:Chen, N.C, Wang, C.H, Chen, C.J, Yoshimura, M, Guan, H.H, Chuankhayan, P, Lin, C.C.
Deposit date:2022-05-04
Release date:2023-02-08
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite: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
Descriptor: (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
Authors:Cheng, Y, Sun, C.L, Chen, M.R, Yang, P, Xiao, Y.B.
Deposit date:2021-11-03
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.701 Å)
Cite: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
Descriptor: 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
Authors:Li, Z, Xiao, Y, Yuan, K, Kuang, W, Xiuquan, Y, Yang, P.
Deposit date:2021-04-02
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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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BU of 7xe4 by Molmil
structure of a membrane-bound glycosyltransferase
Descriptor: (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, ...
Authors:Hu, X.L, Yang, P, Zhang, M, Liu, X.T, Yu, H.J.
Deposit date:2022-03-29
Release date:2023-03-29
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural and mechanistic insights into fungal beta-1,3-glucan synthase FKS1.
Nature, 616, 2023

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數據於2024-07-31公開中

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