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4BUI
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BU of 4bui by Molmil
Crystal structure of human tankyrase 2 in complex with methyl 4-(4- oxo-3,4-dihydroquinazolin-2-yl)benzoate
分子名称: GLYCEROL, METHYL 4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)BENZOATE, SULFATE ION, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2013-06-20
公開日2013-10-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
4BU8
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BU of 4bu8 by Molmil
Crystal structure of human tankyrase 2 in complex with 4-(4-oxo-1,4- dihydroquinazolin-2-yl)benzonitrile
分子名称: 4-(4-OXO-1,4-DIHYDROQUINAZOLIN-2-YL)BENZONITRILE, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2013-06-20
公開日2013-10-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
4BUX
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BU of 4bux by Molmil
Crystal structure of human tankyrase 2 in complex with 3-((4-(4-oxo-3, 4-dihydroquinazolin-2-yl)phenyl)methyl)imidazolidine-2,4-dione
分子名称: 3-[[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]methyl]imidazolidine-2,4-dione, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2013-06-24
公開日2013-10-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
7JW3
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BU of 7jw3 by Molmil
Crystal structure of Aedes aegypti Nibbler NTD domain
分子名称: Exonuclease mut-7 homolog
著者Xie, W, Sowemimo, I, Hayashi, R, Wang, J, Brennecke, J, Ameres, S.L, Patel, D.J.
登録日2020-08-24
公開日2021-01-20
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structure-function analysis of microRNA 3'-end trimming by Nibbler.
Proc.Natl.Acad.Sci.USA, 117, 2020
4YIW
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BU of 4yiw by Molmil
DIHYDROOROTASE FROM BACILLUS ANTHRACIS WITH SUBSTRATE BOUND
分子名称: Dihydroorotase, N-CARBAMOYL-L-ASPARTATE, ZINC ION
著者Lei, H, Santarsiero, B.D, Rice, A.J, Lee, H, Johnson, M.E.
登録日2015-03-02
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Ca-asp bound X-ray structure and inhibition of Bacillus anthracis dihydroorotase (DHOase).
Bioorg.Med.Chem., 24, 2016
7F0J
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BU of 7f0j by Molmil
CryoEM structure of human Kv4.2
分子名称: Potassium voltage-gated channel subfamily D member 2, ZINC ION
著者Kise, Y, Nureki, O.
登録日2021-06-04
公開日2021-10-13
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis of gating modulation of Kv4 channel complexes.
Nature, 599, 2021
6HKY
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BU of 6hky by Molmil
Eg5-inhibitor complex
分子名称: (2~{S})-2-(3-azanylpropyl)-5-[2,5-bis(fluoranyl)phenyl]-~{N}-methoxy-~{N}-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
著者Talapatra, S.K, Kozielski, F.
登録日2018-09-09
公開日2019-09-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Is the Fate of Clinical Candidate Arry-520 Already Sealed? Predicting Resistance in Eg5-Inhibitor Complexes.
Mol.Cancer Ther., 18, 2019
6BVN
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BU of 6bvn by Molmil
Cryo-EM Structure of Hepatitis B virus T=3 capsid in complex with the fluorescent allosteric modulator HAP-TAMRA
分子名称: Capsid protein, Heteroaryldihydropyrimidine tetramethylrodamine
著者Schlicksup, C, Wang, J.C, Zlotnick, A.
登録日2017-12-13
公開日2018-02-07
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Hepatitis B virus core protein allosteric modulators can distort and disrupt intact capsids.
Elife, 7, 2018
4YW8
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BU of 4yw8 by Molmil
Structure of rat cytosolic pepck in complex with 3-mercaptopicolinic acid
分子名称: 1,2-ETHANEDIOL, 3-sulfanylpyridine-2-carboxylic acid, MANGANESE (II) ION, ...
著者Balan, M.D, Johnson, T.A, Mcleod, M.J, Lotosky, W.R, Holyoak, T.
登録日2015-03-20
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Inhibition and Allosteric Regulation of Monomeric Phosphoenolpyruvate Carboxykinase by 3-Mercaptopicolinic Acid.
Biochemistry, 54, 2015
8JHF
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BU of 8jhf by Molmil
Native SUV420H1 bound to 167-bp nucleosome
分子名称: DNA (160-MER), Histone H2A.Z, Histone H2B type 1-K, ...
著者Lin, F, Li, W.
登録日2023-05-23
公開日2023-11-15
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Structural basis of nucleosomal H4K20 recognition and methylation by SUV420H1 methyltransferase.
Cell Discov, 9, 2023
7CXN
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BU of 7cxn by Molmil
Architecture of a SARS-CoV-2 mini replication and transcription complex
分子名称: Helicase, Non-structural protein 7, Non-structural protein 8, ...
著者Yan, L, Zhang, Y, Ge, J, Zheng, L, Gao, Y, Wang, T, Jia, Z, Wang, H, Huang, Y, Li, M, Wang, Q, Rao, Z, Lou, Z.
登録日2020-09-02
公開日2020-11-04
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献Architecture of a SARS-CoV-2 mini replication and transcription complex.
Nat Commun, 11, 2020
2NUN
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BU of 2nun by Molmil
The structure of the type III effector AvrB complexed with ADP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Avirulence B protein
著者Singer, A.U, Desveaux, D, Wu, A.J, McNulty, B, Dangl, J.L, Sondek, J.
登録日2006-11-09
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Type III Effector Activation via Nucleotide Binding, Phosphorylation, and Host Target Interaction.
Plos Pathog., 3, 2007
8JHG
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BU of 8jhg by Molmil
Native SUV420H1 bound to 167-bp nucleosome
分子名称: DNA (160-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
著者Lin, F, Li, W.
登録日2023-05-23
公開日2023-11-22
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Structural basis of nucleosomal H4K20 recognition and methylation by SUV420H1 methyltransferase.
Cell Discov, 9, 2023
7JZV
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BU of 7jzv by Molmil
Cryo-EM structure of the BRCA1-UbcH5c/BARD1 E3-E2 module bound to a nucleosome
分子名称: BRCA1,Ubiquitin-conjugating enzyme E2 D3, BRCA1-associated RING domain protein 1, Histone H2A type 2-A, ...
著者Witus, S.R, Burrell, A.L, Hansen, J.M, Farrell, D.P, Dimaio, F, Kollman, J.M, Klevit, R.E.
登録日2020-09-02
公開日2021-02-17
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献BRCA1/BARD1 site-specific ubiquitylation of nucleosomal H2A is directed by BARD1.
Nat.Struct.Mol.Biol., 28, 2021
6HE3
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BU of 6he3 by Molmil
Pseudomonas aeruginosa Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)cytidine
分子名称: 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-sulfamoyl)cytidine, SODIUM ION, ...
著者Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
登録日2018-08-20
公開日2019-12-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
8IZF
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BU of 8izf by Molmil
Cryo-EM structure of the Lac1-Lip1 (Lip1-S74F) complex
分子名称: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, Ceramide synthase LAC1, Ceramide synthase subunit LIP1
著者Xie, T, Fang, Q, Gong, X.
登録日2023-04-07
公開日2023-12-13
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Structure and mechanism of a eukaryotic ceramide synthase complex.
Embo J., 42, 2023
6HGI
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BU of 6hgi by Molmil
Crystal structure of Alpha1-antichymotrypsin variant NewBG-III: a new binding globulin in complex with corticosterone
分子名称: Alpha-1-antichymotrypsin, CORTICOSTERONE
著者Schmidt, K, Muller, Y.A.
登録日2018-08-23
公開日2019-05-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.517 Å)
主引用文献NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy.
J.Struct.Biol., 207, 2019
4EH6
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BU of 4eh6 by Molmil
Human p38 MAP kinase in complex with NP-F5 and RL87
分子名称: Mitogen-activated protein kinase 14, N-phenylpyridine-3-carboxamide, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
著者Over, B, Gruetter, C, Waldmann, H, Rauh, D.
登録日2012-04-02
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
6HE1
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BU of 6he1 by Molmil
Pseudomonas aeruginosa Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine
分子名称: 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine, SODIUM ION, ...
著者Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
登録日2018-08-20
公開日2019-12-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
6HKX
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BU of 6hkx by Molmil
Eg5-inhibitor complex
分子名称: (2~{S})-2-(3-azanylpropyl)-5-[2,5-bis(fluoranyl)phenyl]-~{N}-methoxy-~{N}-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Talapatra, S.K, Kozielski, F.
登録日2018-09-09
公開日2019-09-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Is the Fate of Clinical Candidate Arry-520 Already Sealed? Predicting Resistance in Eg5-Inhibitor Complexes.
Mol.Cancer Ther., 18, 2019
8IZD
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BU of 8izd by Molmil
Cryo-EM structure of the C26-CoA-bound Lac1-Lip1 complex
分子名称: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, Ceramide synthase LAC1, Ceramide synthase subunit LIP1, ...
著者Xie, T, Fang, Q, Gong, X.
登録日2023-04-07
公開日2023-12-13
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Structure and mechanism of a eukaryotic ceramide synthase complex.
Embo J., 42, 2023
4EPM
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BU of 4epm by Molmil
Crystal Structure of Arabidopsis GH3.12 (PBS3) in Complex with AMP
分子名称: 4-substituted benzoates-glutamate ligase GH3.12, ADENOSINE MONOPHOSPHATE, SULFATE ION
著者Westfall, C.S, Zubieta, C, Herrmann, J, Kapp, U, Nanao, M.H, Jez, J.M.
登録日2012-04-17
公開日2012-06-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Structural basis for prereceptor modulation of plant hormones by GH3 proteins.
Science, 336, 2012
6JCT
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BU of 6jct by Molmil
AAV5 in neutral condition at 3.18 Ang
分子名称: Capsid protein
著者Lou, Z, Zhang, R.
登録日2019-01-30
公開日2019-07-31
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Divergent engagements between adeno-associated viruses with their cellular receptor AAVR.
Nat Commun, 10, 2019
5XW5
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BU of 5xw5 by Molmil
Crystal structure of budding yeast Cdc14p (C283S) bound to a Swi6p phosphopeptide
分子名称: Regulatory protein SWI6, SULFATE ION, Tyrosine-protein phosphatase CDC14
著者Kobayashi, J, Matsuura, Y.
登録日2017-06-29
公開日2017-08-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and dimerization of the catalytic domain of the protein phosphatase Cdc14p, a key regulator of mitotic exit in Saccharomyces cerevisiae
Protein Sci., 26, 2017
7CXM
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BU of 7cxm by Molmil
Architecture of a SARS-CoV-2 mini replication and transcription complex
分子名称: Helicase, Non-structural protein 7, Non-structural protein 8, ...
著者Yan, L, Zhang, Y, Ge, J, Zheng, L, Gao, Y, Wang, T, Jia, Z, Wang, H, Huang, Y, Li, M, Wang, Q, Rao, Z, Lou, Z.
登録日2020-09-02
公開日2020-11-04
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Architecture of a SARS-CoV-2 mini replication and transcription complex.
Nat Commun, 11, 2020

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