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5WQ2
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BU of 5wq2 by Molmil
Crystal structure of 3C protease from a mild Human enterovirus 71 in complex with rupintrivir
分子名称: 3C protein, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, SULFATE ION
著者Li, B, Yuan, Z.
登録日2016-11-22
公開日2017-11-29
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Crystal structure of 3C protease from a mild Human enterovirus 71 in complex with rupintrivir
To Be Published
6III
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BU of 6iii by Molmil
Crystal structure of an uncharacterized protein
分子名称: ADENOSINE MONOPHOSPHATE, IMIDODIPHOSPHORIC ACID, MAGNESIUM ION, ...
著者Li, B, Yuan, Z.
登録日2018-10-06
公開日2019-10-09
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.113 Å)
主引用文献Crystal structure of an uncharacterized protein
To Be Published
6INY
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BU of 6iny by Molmil
Crystal structure of an uncharacterized protein
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, UPF0061 protein YdiU
著者Li, B, Yuan, Z.
登録日2018-10-29
公開日2020-01-01
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Crystal structure of an uncharacterized protein
To Be Published
6K20
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BU of 6k20 by Molmil
Structure of Apo YdiU
分子名称: MAGNESIUM ION, Protein adenylyltransferase SelO
著者Li, B, Yang, Y, Ma, Y.
登録日2019-05-13
公開日2020-05-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structure of Apo-YdiU
To Be Published
7D3U
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BU of 7d3u by Molmil
Structure of Mrp complex from Dietzia sp. DQ12-45-1b
分子名称: Cation antiporter, DODECYL-BETA-D-MALTOSIDE, Monovalent Na+/H+ antiporter subunit A, ...
著者Li, B, Zhang, K.D, Wu, X.L, Zhang, X.C.
登録日2020-09-21
公開日2020-12-09
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure of the Dietzia Mrp complex reveals molecular mechanism of this giant bacterial sodium proton pump.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LNA
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BU of 6lna by Molmil
YdiU complex with AMPNPP and Mn2+
分子名称: CALCIUM ION, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Li, B, Yang, Y, Ma, Y.
登録日2019-12-28
公開日2020-12-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献The YdiU Domain Modulates Bacterial Stress Signaling through Mn 2+ -Dependent UMPylation.
Cell Rep, 32, 2020
5HKP
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BU of 5hkp by Molmil
Crystal structure of mouse Tankyrase/human TRF1 complex
分子名称: Tankyrase-1, Telomeric repeat-binding factor 1
著者Wang, Z, Li, B, Rao, Z, Xu, W.
登録日2016-01-14
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a tankyrase 1-telomere repeat factor 1 complex.
Acta Crystallogr F Struct Biol Commun, 72, 2016
7TXO
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BU of 7txo by Molmil
Selenomethionine Labeled Structure of RexT
分子名称: CHLORIDE ION, Transcriptional regulator
著者Bridwell-Rabb, J, Li, B.
登録日2022-02-09
公開日2022-03-23
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and mechanistic basis for redox sensing by the cyanobacterial transcription regulator RexT.
Commun Biol, 5, 2022
7TXM
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BU of 7txm by Molmil
Oxidized Structure of RexT
分子名称: HYDROGEN PEROXIDE, Transcriptional regulator
著者Bridwell-Rabb, J, Li, B.
登録日2022-02-09
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structural and mechanistic basis for redox sensing by the cyanobacterial transcription regulator RexT.
Commun Biol, 5, 2022
7TXN
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BU of 7txn by Molmil
Reduced Structure of RexT
分子名称: CHLORIDE ION, GLYCEROL, Transcriptional regulator
著者Bridwell-Rabb, J, Li, B.
登録日2022-02-09
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and mechanistic basis for redox sensing by the cyanobacterial transcription regulator RexT.
Commun Biol, 5, 2022
7M1N
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BU of 7m1n by Molmil
Wild-type Hydrogenobacter thermophilus ferredoxin 1
分子名称: IRON/SULFUR CLUSTER, Putative ferredoxin
著者Steindel, P.S, Li, B, Elliott, S.J.
登録日2021-03-13
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Maximizing (Electro)catalytic CO2 Reduction with a Ferredoxin-Based Reduction Potential Gradient
Acs Catalysis, 11, 2021
7M1O
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BU of 7m1o by Molmil
Hydrogenobacter thermophilus ferredoxin 1 S64A variant
分子名称: IRON/SULFUR CLUSTER, Putative ferredoxin
著者Steindel, P.S, Li, B, Elliott, S.J.
登録日2021-03-13
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98388708 Å)
主引用文献Maximizing (Electro)catalytic CO2 Reduction with a Ferredoxin-Based Reduction Potential Gradient
Acs Catalysis, 11, 2021
4L7F
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BU of 4l7f by Molmil
Co-crystal Structure of JNK1 and AX13587
分子名称: Mitogen-activated protein kinase 8, N-[1-(4-fluorophenyl)cyclopropyl]-4-[(trans-4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide
著者Walter, R.L, Ranieri, G.M, Riggs, A.M, Weissig, H, Li, B, Shreder, K.R.
登録日2013-06-13
公開日2013-08-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Hit-to-lead optimization and kinase selectivity of imidazo[1,2-a]quinoxalin-4-amine derived JNK1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
7XXH
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BU of 7xxh by Molmil
Cryo-EM structure of the purinergic receptor P2Y1R in complex with 2MeSADP and G11
分子名称: 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate), Guanine nucleotide-binding protein G(11) subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Tan, Q, Li, B, Han, S, Zhao, Q, Wu, B.
登録日2022-05-30
公開日2023-06-07
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural insights into signal transduction of the purinergic receptors P2Y1R and P2Y12R.
Protein Cell, 14, 2023
7XXI
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BU of 7xxi by Molmil
Cryo-EM structure of the purinergic receptor P2Y12R in complex with 2MeSADP and Gi
分子名称: 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Tan, Q, Li, B, Han, S, Zhao, Q, Wu, B.
登録日2022-05-30
公開日2023-06-07
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural insights into signal transduction of the purinergic receptors P2Y1R and P2Y12R.
Protein Cell, 14, 2023
7DA7
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BU of 7da7 by Molmil
Mouse Toll-like receptor 3 ectodomain in complex with lncRNA Rmrp in elongated form
分子名称: RNA component of mitochondrial RNAase P (Rmrp), RNase MRP RNA, Toll-like receptor 3
著者Li, B, Cao, X.
登録日2020-10-15
公開日2021-10-20
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Endosomal lncRNA Rmrp is required for TLR3 innate sensing by engaging TLR3 dimerization
To Be Published
7DAS
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BU of 7das by Molmil
Mouse Toll-like receptor 3 ectodomain in complex with lncRNA Rmrp in lapped form
分子名称: RNA component of mitochondrial RNAase P (Rmrp), RNase MRP RNA, Toll-like receptor 3
著者Li, B, Cao, X.
登録日2020-10-18
公開日2021-10-20
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Endosomal lncRNA Rmrp is required for TLR3 innate sensing by engaging TLR3 dimerization
To Be Published
3KUZ
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BU of 3kuz by Molmil
Crystal structure of the ubiquitin like domain of PLXNC1
分子名称: Plexin-C1, UNKNOWN ATOM OR ION
著者Wang, H, Li, B, Tempel, W, Tong, Y, Guan, X, Zhong, N, Crombet, L, MacKenzie, F, Buck, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-11-28
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the ubiquitin like domain of PLXNC1
to be published
8CJ3
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BU of 8cj3 by Molmil
Urea-based foldamer inhibitor c3u_7 chimera in complex with ASF1 histone chaperone
分子名称: Histone chaperone ASF1A, c3u_7 chimera inhibitor of histone chaperone ASF1
著者Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G.
登録日2023-02-11
公開日2023-07-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach.
Chem.Commun.(Camb.), 59, 2023
8CJ1
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BU of 8cj1 by Molmil
Urea-based foldamer inhibitor c3u_3 chimera in complex with ASF1 histone chaperone
分子名称: Histone chaperone ASF1A, c3u_3 chimera inhibitor of histone chaperone ASF1
著者Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G.
登録日2023-02-11
公開日2023-07-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.564 Å)
主引用文献Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach.
Chem.Commun.(Camb.), 59, 2023
8CJ2
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BU of 8cj2 by Molmil
Urea-based foldamer inhibitor c3u_5 chimera in complex with ASF1 histone chaperone
分子名称: GLYCEROL, Histone chaperone ASF1A, SULFATE ION, ...
著者Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G.
登録日2023-02-11
公開日2023-07-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.127 Å)
主引用文献Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach.
Chem.Commun.(Camb.), 59, 2023
6LK0
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BU of 6lk0 by Molmil
Crystal structure of human wild type TRIP13
分子名称: Pachytene checkpoint protein 2 homolog
著者Wang, Y, Huang, J, Li, B, Xue, H, Tricot, G, Hu, L, Xu, Z, Sun, X, Chang, S, Gao, L, Tao, Y, Xu, H, Xie, Y, Xiao, W, Yu, D, Kong, Y, Chen, G, Sun, X, Lian, F, Zhang, N, Wu, X, Mao, Z, Zhan, F, Zhu, W, Shi, J.
登録日2019-12-17
公開日2020-01-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A Small-Molecule Inhibitor Targeting TRIP13 Suppresses Multiple Myeloma Progression.
Cancer Res., 80, 2020
6GCX
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BU of 6gcx by Molmil
Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor
分子名称: 2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide, Focal adhesion kinase 1, SULFATE ION
著者Yen-Pon, E, Li, B, Acebron-Garcia de Eulate, M, Tomkiewicz-Raulet, C, Dawson, J, Lietha, D, Frame, M.C, Coumoul, X, Garbay, C, Etheve-Quelquejeu, M, Chen, H.
登録日2018-04-19
公開日2019-05-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.553 Å)
主引用文献Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase.
Acs Chem.Biol., 13, 2018
6GCR
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BU of 6gcr by Molmil
Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor
分子名称: 2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide, Focal adhesion kinase 1
著者Yen-Pon, E, Li, B, Acebron-Garcia de Eulate, M, Tomkiewicz-Raulet, C, Dawson, J, Lietha, D, Frame, M.C, Coumoul, X, Garbay, C, Etheve-Quelquejeu, M, Chen, H.
登録日2018-04-19
公開日2019-05-01
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase.
Acs Chem.Biol., 13, 2018
6GCW
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BU of 6gcw by Molmil
Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor
分子名称: 2-[[5-chloranyl-2-[[4-[[[1-[2-(propanoylamino)ethyl]-1,2,3-triazol-4-yl]methylamino]methyl]phenyl]amino]pyrimidin-4-yl]amino]-~{N}-methyl-benzamide, Focal adhesion kinase 1, SULFATE ION
著者Yen-Pon, E, Li, B, Acebron-Garcia-de-Eulate, M, Tomkiewicz-Raulet, C, Dawson, J, Lietha, D, Frame, M.C, Coumoul, X, Garbay, C, Etheve-Quelquejeu, M, Chen, H.
登録日2018-04-19
公開日2019-05-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase.
Acs Chem.Biol., 13, 2018

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