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6T06
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BU of 6t06 by Molmil
Crystal structure of YTHDC1 with fragment 19 (DHU_DC1_045)
分子名称: 3-imidazolidin-2-yl-2~{H}-indazole, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-02
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6T0C
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BU of 6t0c by Molmil
Crystal structure of YTHDC1 with fragment 26 (DHU_DC1_198)
分子名称: SULFATE ION, YTHDC1, ~{N}-methyl-2~{H}-indazole-3-carboxamide
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-02
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6SZ3
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BU of 6sz3 by Molmil
Crystal structure of YTHDC1 with fragment 4 (DHU_DC1_158)
分子名称: SULFATE ION, YTH domain-containing protein 1, ~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-01
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6T03
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BU of 6t03 by Molmil
Crystal structure of YTHDC1 with fragment 16 (DHU_DC1_017)
分子名称: 1,3-dihydroimidazole-2-thione, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-02
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6T08
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BU of 6t08 by Molmil
Crystal structure of YTHDC1 with fragment 21 (DHU_DC1_131)
分子名称: SULFATE ION, YTHDC1, ~{N}-(1~{H}-imidazol-2-yl)thiophene-2-sulfonamide
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-02
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6SZ2
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BU of 6sz2 by Molmil
Crystal structure of YTHDC1 with fragment 3 (DHU_DC1_149)
分子名称: SULFATE ION, YTH domain-containing protein 1, ~{N}-methyl-1,6-naphthyridin-4-amine
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-01
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
3FDR
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BU of 3fdr by Molmil
Crystal structure of TDRD2
分子名称: Tudor and KH domain-containing protein
著者Amaya, M.F, Adams, M.A, Guo, Y, Li, Y, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2008-11-26
公開日2009-01-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Mouse Piwi interactome identifies binding mechanism of Tdrkh Tudor domain to arginine methylated Miwi
Proc.Natl.Acad.Sci.USA, 106, 2009
6ILM
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BU of 6ilm by Molmil
Cryo-EM structure of Echovirus 6 complexed with its uncoating receptor FcRn at PH 7.4
分子名称: Beta-2-microglobulin, Capsid protein VP1, Capsid protein VP2, ...
著者Gao, G.F, Liu, S, Zhao, X, Peng, R.
登録日2018-10-19
公開日2019-05-15
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B.
Cell, 177, 2019
6ILO
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BU of 6ilo by Molmil
Cryo-EM structure of empty Echovirus 6 particle at PH 7.4
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
著者Gao, G.F, Liu, S, Zhao, X, Peng, R.
登録日2018-10-19
公開日2019-05-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B.
Cell, 177, 2019
6ILL
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BU of 6ill by Molmil
Cryo-EM structure of Echovirus 6 complexed with its uncoating receptor FcRn at PH 5.5
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Gao, G.F, Liu, S, Zhao, X, Peng, R.
登録日2018-10-19
公開日2019-05-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B.
Cell, 177, 2019
6ILJ
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BU of 6ilj by Molmil
Cryo-EM structure of Echovirus 6 complexed with its attachment receptor CD55 at PH 5.5
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Gao, G.F, Liu, S, Zhao, X, Peng, R.
登録日2018-10-18
公開日2019-05-15
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B.
Cell, 177, 2019
6ILK
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BU of 6ilk by Molmil
Cryo-EM structure of Echovirus 6 complexed with its attachment receptor CD55 at PH 7.4
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Gao, G.F, Liu, S, Zhao, X, Peng, R.
登録日2018-10-18
公開日2019-05-15
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B.
Cell, 177, 2019
8JOP
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BU of 8jop by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with 11a
分子名称: 3C-like proteinase nsp5, methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate
著者Zeng, R, Liu, Y.Z, Wang, F.L, Yang, S.Y, Lei, J.
登録日2023-06-08
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of benzodiazepine derivatives as a new class of covalent inhibitors of SARS-CoV-2 main protease.
Bioorg.Med.Chem.Lett., 92, 2023
6IVU
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BU of 6ivu by Molmil
Solution structure of the Sigma-anti-sigma factor complex RsgI1N-SigI1C from Clostridium thermocellum
分子名称: Anti-sigma-I factor RsgI1, RNA polymerase sigma factor SigI1
著者Wei, Z, Feng, Y.
登録日2018-12-04
公開日2019-05-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Alternative sigma I/anti-sigma I factors represent a unique form of bacterial sigma /anti-sigma complex.
Nucleic Acids Res., 47, 2019
6IVS
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BU of 6ivs by Molmil
Solution structure of the N-terminal domain of the anti-sigma factor RsgI1 from Clostridium thermocellum
分子名称: Anti-sigma-I factor RsgI1
著者Wei, Z, Feng, Y.
登録日2018-12-04
公開日2019-05-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Alternative sigma I/anti-sigma I factors represent a unique form of bacterial sigma /anti-sigma complex.
Nucleic Acids Res., 47, 2019
8WWW
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BU of 8www by Molmil
Crystal structure of the adenylation domain of SyAstC
分子名称: Carrier domain-containing protein, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Li, Z, Zhu, Z, Zhu, D, Shen, Y.
登録日2023-10-27
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Functional Application of the Single-Module NRPS-like d-Alanyltransferase in Maytansinol Biosynthesis
Acs Catalysis, 14, 2024
4MNQ
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BU of 4mnq by Molmil
TCR-peptide specificity overrides affinity enhancing TCR-MHC interactions
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
著者Rizkallah, P.J, Cole, D.K, Sewell, A.K, Jakobsen, B.K.
登録日2013-09-11
公開日2013-11-13
最終更新日2017-08-02
実験手法X-RAY DIFFRACTION (2.742 Å)
主引用文献T-cell receptor (TCR)-peptide specificity overrides affinity-enhancing TCR-major histocompatibility complex interactions.
J.Biol.Chem., 289, 2014
8Y3X
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BU of 8y3x by Molmil
Cell divisome sPG hydrolysis machinery FtsEX-EnvC
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cell division ATP-binding protein FtsE, Cell division protein FtsX, ...
著者Zhang, Z, Dong, H, Chen, Y.
登録日2024-01-29
公開日2024-05-08
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献Structure and activity of the septal peptidoglycan hydrolysis machinery crucial for bacterial cell division.
Plos Biol., 22, 2024
4WZF
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BU of 4wzf by Molmil
Crystal structural basis for Rv0315, an immunostimulatory antigen and pseudo beta-1, 3-glucanase of Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, 1,3-beta-glucanase, CALCIUM ION
著者Dong, W.Y, Fu, Z.F, Peng, G.Q.
登録日2014-11-19
公開日2015-12-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Crystal structural basis for Rv0315, an immunostimulatory antigen and inactive beta-1,3-glucanase of Mycobacterium tuberculosis.
Sci Rep, 5, 2015
7KDT
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BU of 7kdt by Molmil
Human Tom70 in complex with SARS CoV2 Orf9b
分子名称: Mitochondrial import receptor subunit TOM70, ORF9b protein
著者QCRG Structural Biology Consortium
登録日2020-10-09
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Comparative host-coronavirus protein interaction networks reveal pan-viral disease mechanisms.
Science, 370, 2020
7QG5
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BU of 7qg5 by Molmil
IRAK4 in complex with inhibitor
分子名称: 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-pyrido[4,3-d]pyrimidin-5-one, Interleukin-1 receptor-associated kinase 4
著者Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L.
登録日2021-12-07
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors.
Bioorg.Med.Chem., 63, 2022
7QG2
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BU of 7qg2 by Molmil
IRAK4 in complex with inhibitor
分子名称: 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one, Interleukin-1 receptor-associated kinase 4
著者Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L.
登録日2021-12-07
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.031 Å)
主引用文献Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors.
Bioorg.Med.Chem., 63, 2022
6BOF
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BU of 6bof by Molmil
Crystal structure of KRAS A146T-GDP demonstrating open switch 1 conformation
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE
著者Bera, A.K, Yan, W, Westover, K.D.
登録日2017-11-20
公開日2019-05-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Tissue-Specific Oncogenic Activity of KRASA146T.
Cancer Discov, 9, 2019
6CEV
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BU of 6cev by Molmil
MBD3 MBD in complex with methylated, non-palindromic CpG DNA: alternative interpretation of crystallographic data
分子名称: DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*CP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*GP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 3, ...
著者Liu, K, Tempel, W, Wernimont, A.K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2018-02-12
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献Structural analyses reveal that MBD3 is a methylated CG binder.
Febs J., 286, 2019
6CEU
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BU of 6ceu by Molmil
MBD3 MBD in complex with methylated, non-palindromic CpG DNA: alternative interpretation of crystallographic data
分子名称: DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*CP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*GP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 3, ...
著者Liu, K, Tempel, W, Wernimont, A.K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2018-02-12
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献Structural analyses reveal that MBD3 is a methylated CG binder.
Febs J., 286, 2019

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