PDB: 13258 件ウェブページステータス検索Chemie searchBIRD

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8A0E	CryoEM structure of DHS-eIF5A1 complex 分子名称: Deoxyhypusine synthase, Eukaryotic translation initiation factor 5A, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Wator, E, Wilk, P, Biela, A.P, Rawski, M, Grudnik, P. 登録日 2022-05-27 公開日 2023-04-05 実験手法 ELECTRON MICROSCOPY (2.8 Å) 主引用文献 Cryo-EM structure of human eIF5A-DHS complex reveals the molecular basis of hypusination-associated neurodegenerative disorders. Nat Commun, 14, 2023
7TD3	Sphingosine-1-phosphate receptor 1-Gi complex bound to S1P 分子名称: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... 著者 Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. 登録日 2021-12-30 公開日 2022-02-09 最終更新日 2022-02-23 実験手法 ELECTRON MICROSCOPY (3 Å) 主引用文献 Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
7TD4	Sphingosine-1-phosphate receptor 1-Gi complex bound to Siponimod 分子名称: 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... 著者 Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. 登録日 2021-12-30 公開日 2022-02-09 最終更新日 2022-02-23 実験手法 ELECTRON MICROSCOPY (2.6 Å) 主引用文献 Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
1V0O	Structure of P. falciparum PfPK5-Indirubin-5-sulphonate ligand complex 分子名称: 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID, CELL DIVISION CONTROL PROTEIN 2 HOMOLOG 著者 Holton, S, Merckx, A, Burgess, D, Doerig, C, Noble, M, Endicott, J. 登録日 2004-03-31 公開日 2004-04-07 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structures of P. Falciparum Pfpk5 Test the Cdk Regulation Paradigm and Suggest Mechanisms of Small Molecule Inhibition Structure, 11, 2003
1V0P	Structure of P. falciparum PfPK5-Purvalanol B ligand complex 分子名称: CELL DIVISION CONTROL PROTEIN 2 HOMOLOG, PURVALANOL B 著者 Holton, S, Merckx, A, Burgess, D, Doerig, C, Noble, M, Endicott, J. 登録日 2004-04-01 公開日 2004-05-06 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structures of P. Falciparum Pfpk5 Test the Cdk Regulation Paradigm and Suggest Mechanisms of Small Molecule Inhibition Structure, 11, 2003
6W0M	Human 8-oxoguanine glycosylase crosslinked with oxoG lesion containing DNA 分子名称: 2-(2-ethoxyethoxy)ethanethiol, DNA (5'-D(P*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(P*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3'), ... 著者 Shigdel, U, Verdine, G. 登録日 2020-03-02 公開日 2020-09-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.37 Å) 主引用文献 The trajectory of intrahelical lesion recognition and extrusion by the human 8-oxoguanine DNA glycosylase. Nat Commun, 11, 2020
6W0R	Human 8-oxoguanine glycosylase interrogating fully intrahelical undamaged DNA 分子名称: 2-(2-ethoxyethoxy)ethanethiol, DNA (5'-D(P*CP*AP*GP*GP*TP*C)-3'), DNA (5'-D(P*CP*CP*TP*GP*G)-3'), ... 著者 Shigdel, U, Verdine, G. 登録日 2020-03-02 公開日 2020-09-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 The trajectory of intrahelical lesion recognition and extrusion by the human 8-oxoguanine DNA glycosylase. Nat Commun, 11, 2020
4LL4	The structure of the TRX and TXNIP complex 分子名称: Thioredoxin, Thioredoxin-interacting protein 著者 Hwang, J, Kim, M.H. 登録日 2013-07-09 公開日 2014-02-05 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 The structural basis for the negative regulation of thioredoxin by thioredoxin-interacting protein Nat Commun, 5, 2014
7CL0	Crystal structure of human SIRT6 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... 著者 Song, K, Zhang, J. 登録日 2020-07-20 公開日 2021-02-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.53 Å) 主引用文献 Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
7CL1	Human SIRT6 in complex with allosteric activator MDL-801 (3.2A) 分子名称: 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Song, K, Zhang, J. 登録日 2020-07-20 公開日 2021-02-24 最終更新日 2021-05-12 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
5IYT	Complex structure of EV-B93 main protease 3C with N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-2Z-butenamide 分子名称: EV-B93 main protease 3C, N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-butanamide 著者 Kaczmarska, Z, Becker, D, Rademann, J, Coll, M. 登録日 2016-03-24 公開日 2016-10-05 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Irreversible inhibitors of the 3C protease of Coxsackie virus through templated assembly of protein-binding fragments. Nat Commun, 7, 2016
8G3E	Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor) 分子名称: (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide, WD repeat-containing protein 5 著者 Zhao, M. 登録日 2023-02-07 公開日 2023-06-28 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.33 Å) 主引用文献 Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction. J.Med.Chem., 66, 2023
4OIG	Dengue Virus Non-structural Protein NS1 分子名称: Non-structural protein 1, NS1, SULFATE ION 著者 Edeling, M.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2014-01-19 公開日 2014-03-05 最終更新日 2017-11-22 実験手法 X-RAY DIFFRACTION (2.69 Å) 主引用文献 Structural basis of Flavivirus NS1 assembly and antibody recognition. Proc.Natl.Acad.Sci.USA, 111, 2014
1V0B	Crystal structure of the t198a mutant of pfpk5 分子名称: CELL DIVISION CONTROL PROTEIN 2 HOMOLOG 著者 Holton, S, Merckx, A, Burgess, D, Doerig, C, Noble, M, Endicott, J. 登録日 2004-03-26 公開日 2004-03-31 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structures of P. Falciparum Pfpk5 Test the Cdk Regulation Paradigm and Suggest Mechanisms of Small Molecule Inhibition Structure, 11, 2003
6UHY	WDR5 in complex with Myc site fragment inhibitor 分子名称: 1-cyclohexyl-1H-benzimidazole-5-carboxylic acid, WDR5 著者 Wang, F, Fesik, S.W. 登録日 2019-09-29 公開日 2020-04-15 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.26 Å) 主引用文献 Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020
6UHZ	WDR5 in complex with Myc site fragment inhibitor 分子名称: 1-cyclohexyl-1H-benzotriazole-5-carboxylic acid, WDR5 著者 Wang, F, Fesik, S.w. 登録日 2019-09-29 公開日 2020-04-15 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.258 Å) 主引用文献 Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020
5WE9	Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 7b (SRI-29731) 分子名称: 1,2-ETHANEDIOL, 2-[(2S)-1-(2,6-difluorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide, MAGNESIUM ION, ... 著者 Kumar, G, White, S.W. 登録日 2017-07-07 公開日 2017-12-27 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.804 Å) 主引用文献 Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep, 7, 2017
5W7U	Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 8f (SRI-29928) 分子名称: 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropy rimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein 著者 Kumar, G, White, S. 登録日 2017-06-20 公開日 2017-12-27 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep, 7, 2017
5WEI	Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 7a (SRI-29770) 分子名称: 2-[(2S)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... 著者 Kumar, G, White, S.W. 登録日 2017-07-10 公開日 2017-12-27 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep, 7, 2017
6BZ1	MEF2 Chimera D83V mutant/DNA complex 分子名称: DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), DNA (5'-D(P*TP*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)-3'), MEF2 CHIMERA 著者 Lei, X, Chen, L. 登録日 2017-12-21 公開日 2018-02-07 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.97 Å) 主引用文献 The Cancer Mutation D83V Induces an alpha-Helix to beta-Strand Conformation Switch in MEF2B. J. Mol. Biol., 430, 2018
5JPS	Structure of the Zika Virus NS3 Helicase Domain 分子名称: ns3 helicase 著者 Jia, Z, Wang, J. 登録日 2016-05-04 公開日 2017-05-17 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Structure of the Zika Virus NS3 Helicase Domain To Be Published
6BYY	MEF2 CHIMERA/DNA Complex 分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 3,3',3''-phosphanetriyltripropanoic acid, DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), ... 著者 Lei, X, Chen, L. 登録日 2017-12-21 公開日 2018-01-31 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 The Cancer Mutation D83V Induces an alpha-Helix to beta-Strand Conformation Switch in MEF2B. J. Mol. Biol., 430, 2018
5WEF	Crystal structure of the influenza virus PA endonuclease (F105S mutant) in complex with inhibitor 7a (SRI-29770) 分子名称: 1,2-ETHANEDIOL, 2-[(2S)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, ... 著者 Kumar, G, White, S.W. 登録日 2017-07-09 公開日 2017-12-27 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep, 7, 2017
5WFZ	Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 8e (SRI-30049) 分子名称: 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide, GLYCEROL, MANGANESE (II) ION, ... 著者 Kumar, G, White, S.W. 登録日 2017-07-13 公開日 2017-12-27 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep, 7, 2017
5WCG	SET and MYND Domain Containing protein 2 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, N-lysine methyltransferase SMYD2, ... 著者 Dong, A, Zeng, H, Walker, J.R, Hutch, A, Seitova, A, Tatlock, J, Kumpf, R, Owen, A, Taylor, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) 登録日 2017-06-30 公開日 2017-08-02 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 The crystal structure of SMYD2 in complex with compound MTF003 to be published

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