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8GQ6
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BU of 8gq6 by Molmil
Cryo-EM Structure of the KBTBD2-CUL3-Rbx1 dimeric complex
分子名称: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
著者Sun, L, Chen, Z, Hu, Y, Mao, Q.
登録日2022-08-29
公開日2023-09-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.96 Å)
主引用文献Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
5EQP
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BU of 5eqp by Molmil
Crystal structure of choline kinase alpha-1 bound by 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline (compound 37)
分子名称: 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline, Choline kinase alpha
著者Zhou, T, Zhu, X, Dalgarno, D.C.
登録日2015-11-13
公開日2016-01-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
J.Med.Chem., 59, 2016
4KN8
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BU of 4kn8 by Molmil
Crystal structure of Bs-TpNPPase
分子名称: Thermostable NPPase
著者Guo, Z, Wang, F, Huang, J, Gong, W, Ji, C.
登録日2013-05-09
公開日2014-04-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献Crystal Structure of Thermostable p-nitrophenylphosphatase from Bacillus Stearothermophilus (Bs-TpNPPase)
PROTEIN PEPT.LETT., 21, 2014
8H97
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BU of 8h97 by Molmil
GH86 agarase Aga86A_Wa
分子名称: Beta-agarase, CALCIUM ION, HEXAETHYLENE GLYCOL
著者Zhang, Y.Y, Dong, S, Feng, Y.G, Chang, Y.G.
登録日2022-10-25
公開日2023-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献Structural characterization on a beta-agarase Aga86A_Wa from Wenyingzhuangia aestuarii reveals the prevalent methyl-galactose accommodation capacity of GH86 enzymes at subsite -1.
Carbohydr Polym, 306, 2023
6A7W
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BU of 6a7w by Molmil
Structure of a catalytic domain of the colistin resistance enzyme
分子名称: Putative integral membrane protein, ZINC ION
著者Wang, X.D, Chai, Y, Qi, J.X, Gao, G.F.
登録日2018-07-04
公開日2018-11-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.988 Å)
主引用文献Structural and functional insights into MCR-2 mediated colistin resistance.
Sci China Life Sci, 61, 2018
8H3F
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BU of 8h3f by Molmil
Cryo-EM Structure of the KBTBD2-CRL3-CSN complex
分子名称: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ...
著者Hu, Y, Mao, Q, Chen, Z, Sun, L.
登録日2022-10-08
公開日2023-10-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (6.73 Å)
主引用文献Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H36
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BU of 8h36 by Molmil
Cryo-EM Structure of the KBTBD2-CUL3-Rbx1-p85a dimeric complex
分子名称: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
著者Hu, Y, Mao, Q, Chen, Z, Sun, L.
登録日2022-10-08
公開日2023-10-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H3A
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BU of 8h3a by Molmil
Cryo-EM Structure of the KBTBD2-CRL3~N8(removed)-CSN complex
分子名称: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ...
著者Hu, Y, Mao, Q, Chen, Z, Sun, L.
登録日2022-10-08
公開日2023-10-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (7.51 Å)
主引用文献Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H33
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BU of 8h33 by Molmil
Cryo-EM Structure of the KBTBD2-Cul3-Rbx1 tetrameric complex
分子名称: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
著者Hu, Y, Mao, Q, Chen, Z, Sun, L.
登録日2022-10-07
公開日2023-10-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (7.86 Å)
主引用文献Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H3Q
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BU of 8h3q by Molmil
Cryo-EM Structure of the CAND1-Cul3-Rbx1 complex
分子名称: Cullin-3, Cullin-associated NEDD8-dissociated protein 1, E3 ubiquitin-protein ligase RBX1, ...
著者Hu, Y, Mao, Q, Chen, Z, Sun, L.
登録日2022-10-09
公開日2023-10-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.76 Å)
主引用文献Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H35
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BU of 8h35 by Molmil
Cryo-EM Structure of the KBTBD2-Cul3-Rbx1 octameric complex
分子名称: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
著者Hu, Y, Mao, Q, Chen, Z, Sun, L.
登録日2022-10-08
公開日2023-10-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (7.41 Å)
主引用文献Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H34
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BU of 8h34 by Molmil
Cryo-EM Structure of the KBTBD2-Cul3-Rbx1 hexameric complex
分子名称: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
著者Hu, Y, Mao, Q, Chen, Z, Sun, L.
登録日2022-10-07
公開日2023-10-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (7.99 Å)
主引用文献Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
6LB9
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BU of 6lb9 by Molmil
Magnesium ion-bound SspB crystal structure
分子名称: DUF4007 domain-containing protein, MAGNESIUM ION
著者Liqiong, L, Yubing, Z.
登録日2019-11-13
公開日2020-03-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.227 Å)
主引用文献SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
8H37
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BU of 8h37 by Molmil
Cryo-EM Structure of the KBTBD2-CUL3-Rbx1-p85a tetrameric complex
分子名称: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
著者Hu, Y, Mao, Q, Chen, Z, Sun, L.
登録日2022-10-08
公開日2023-10-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (7.52 Å)
主引用文献Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H3R
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BU of 8h3r by Molmil
Cryo-EM Structure of the KBTBD2-CRL3~N8 dimeric complex
分子名称: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
著者Hu, Y, Mao, Q, Chen, Z, Sun, L.
登録日2022-10-09
公開日2023-10-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (6.36 Å)
主引用文献Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H38
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BU of 8h38 by Molmil
Cryo-EM Structure of the KBTBD2-CRL3~N8-CSN(mutate) complex
分子名称: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ...
著者Hu, Y, Mao, Q, Chen, Z, Sun, L.
登録日2022-10-08
公開日2023-10-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.25 Å)
主引用文献Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
5XSU
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BU of 5xsu by Molmil
novel orally efficacious inhibitors complexed with PARP1
分子名称: 6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Liu, Q, Xu, Y.
登録日2017-06-15
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018
6LQD
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BU of 6lqd by Molmil
Structure of Enterovirus 71 in complex with NLD-22
分子名称: 1-(2-azanylpyridin-4-yl)-3-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one, Capsid protein VP1, Capsid protein VP2, ...
著者Zhang, M, Sun, Y, Wang, X, Guo, Y, Rao, Z.
登録日2020-01-13
公開日2020-03-11
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.264 Å)
主引用文献Design, Synthesis, and Evaluation of Novel Enterovirus 71 Inhibitors as Therapeutic Drug Leads for the Treatment of Human Hand, Foot, and Mouth Disease.
J.Med.Chem., 63, 2020
5XST
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BU of 5xst by Molmil
novel orally efficacious inhibitors complexed with PARP1
分子名称: 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Liu, Q, Xu, Y.
登録日2017-06-15
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018
5X04
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BU of 5x04 by Molmil
12:0-ACP thioesterase from Umbellularia californica
分子名称: Dodecanoyl-[acyl-carrier-protein] hydrolase, chloroplastic
著者Xue, S, Feng, Y.
登録日2017-01-19
公開日2017-10-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structural Insight into Acyl-ACP Thioesterase toward Substrate Specificity Design.
ACS Chem. Biol., 12, 2017
7DEO
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BU of 7deo by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ...
著者Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y.
登録日2020-11-04
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7DEU
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BU of 7deu by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
著者Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y.
登録日2020-11-05
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
6M2B
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BU of 6m2b by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416
分子名称: 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Zhu, L, Li, H.
登録日2020-02-27
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2.
Protein Cell, 11, 2020
5XSR
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BU of 5xsr by Molmil
novel orally efficacious inhibitors complexed with PARP1
分子名称: 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Liu, Q, Xu, Y.
登録日2017-06-15
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018
5EQY
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BU of 5eqy by Molmil
Crystal structure of choline kinase alpha-1 bound by 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile (compound 65)
分子名称: 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile, Choline kinase alpha
著者Zhou, T, Zhu, X, Dalgarno, D.C.
登録日2015-11-13
公開日2016-01-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
J.Med.Chem., 59, 2016

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