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4UHG
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Crystal structure of human tankyrase 2 in complex with TA-21
分子名称: 2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-03-24
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UI5
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BU of 4ui5 by Molmil
Crystal structure of human tankyrase 2 in complex with TA-41
分子名称: 8-methoxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-03-27
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UVN
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BU of 4uvn by Molmil
Crystal structure of human tankyrase 2 in complex with 5-amino-3-(4- chlorophenyl)-1,2-dihydroisoquinolin-1-one
分子名称: 5-amino-3-(4-chlorophenyl)isoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2014-08-07
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
4UUH
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BU of 4uuh by Molmil
X-ray crystal structure of human TNKS in complex with a small molecule inhibitor
分子名称: 1,2-ETHANEDIOL, 5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, ...
著者Oliver, A.W, Rajasekaran, M.B, Pearl, L.H.
登録日2014-07-28
公開日2015-07-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Design and Discovery of 3-Aryl-5-Substituted-Isoquinolin-1- Ones as Potent and Selective Tankyrase Inhibitors
Medchemcommm, 6, 2015
4UVU
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BU of 4uvu by Molmil
Crystal structure of human tankyrase 2 in complex with 1-((4-(5- methyl-1-oxo-1,2-dihydroisoquinolin-3-yl)phenyl)methyl)pyrrolidin-1- ium
分子名称: 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2014-08-08
公開日2015-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
4UVS
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BU of 4uvs by Molmil
Crystal structure of human tankyrase 2 in complex with 5-amino-3- pentyl-1,2-dihydroisoquinolin-1-one
分子名称: 5-amino-3-pentylisoquinolin-1(2H)-one, SULFATE ION, TANKYRASE-2, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2014-08-08
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
8HI9
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SARS-CoV-2 3CL protease (3CLpro) in complex with Robinetin
分子名称: 3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, 3C-like proteinase nsp5
著者Su, H.X, Xie, H, Li, M.J, Xu, Y.C.
登録日2022-11-19
公開日2023-10-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery of Polyphenolic Natural Products as SARS-CoV-2 M pro Inhibitors for COVID-19.
Pharmaceuticals, 16, 2023
4UX4
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BU of 4ux4 by Molmil
Crystal structure of human tankyrase 2 in complex with 1-methyl-7-(4- methylphenyl)-5-oxo-5,6-dihydro-1,6-naphthyridin-1-ium
分子名称: (1S)-1-methyl-7-(4-methylphenyl)-5-oxo-1,5-dihydro-1,6-naphthyridin-1-ium, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2014-08-19
公開日2015-06-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Design, Synthesis and Evaluation in Vitro of Arylnaphthyridinones, Arylpyridopyrimidinones and Their Tetrahydro Derivatives as Inhibitors of the Tankyrases.
Bioorg.Med.Chem., 23, 2015
4D10
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BU of 4d10 by Molmil
Crystal structure of the COP9 signalosome
分子名称: COP9 SIGNALOSOME COMPLEX SUBUNIT 1, COP9 SIGNALOSOME COMPLEX SUBUNIT 2, COP9 SIGNALOSOME COMPLEX SUBUNIT 3, ...
著者Bunker, R.D, Lingaraju, G.M, Thoma, N.H.
登録日2014-04-30
公開日2014-07-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Crystal Structure of the Human Cop9 Signalosome
Nature, 512, 2014
4V29
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BU of 4v29 by Molmil
The crystal structure of Arabidopsis thaliana CAR4 in complex with two calcium ions
分子名称: AT3G17980, CALCIUM ION
著者Diaz, M, Albert, A.
登録日2014-10-07
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献C2-Domain Abscisic Acid-Related Proteins Mediate the Interaction of Pyr/Pyl/Rcar Abscisic Acid Receptors with the Plasma Membrane and Regulate Abscisic Acid Sensitivity in Arabidopsis.
Plant Cell, 26, 2014
8HGZ
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BU of 8hgz by Molmil
Crystal structure of insulin
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者DeMirci, H, Ayan, E.
登録日2022-11-16
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Comparative Study of High-Resolution LysB29(N epsilon-myristoyl) des(B30) Insulin Structures Display Novel Dynamic Causal Interrelations in Monomeric-Dimeric Motions
Crystals, 13, 2023
8ICD
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BU of 8icd by Molmil
REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE
分子名称: ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION
著者Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M.
登録日1990-05-30
公開日1991-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Regulation of an enzyme by phosphorylation at the active site.
Science, 249, 1990
4XUR
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BU of 4xur by Molmil
Structure of the CBM22-2 xylan-binding domain from Paenibacillus barcinonensis Xyn10C in complex with xylotetraose
分子名称: CALCIUM ION, Endo-1,4-beta-xylanase C, beta-D-xylopyranose, ...
著者Sainz-Polo, M.A, Sanz-Aparicio, J.
登録日2015-01-26
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM.
J.Biol.Chem., 290, 2015
4XUO
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BU of 4xuo by Molmil
Structure of the CBM22-1 xylan-binding domain from Paenibacillus barcinonensis Xyn10C
分子名称: CALCIUM ION, Endo-1,4-beta-xylanase C
著者Sainz-Polo, M.A, Sanz-Aparicio, J.
登録日2015-01-26
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM.
J.Biol.Chem., 290, 2015
4XUN
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BU of 4xun by Molmil
Structure of the CBM22-2 xylan-binding domain from Paenibacillus barcinonensis Xyn10C
分子名称: CALCIUM ION, Endo-1,4-beta-xylanase C
著者Sainz-Polo, M.A, Sanz-Aparicio, J.
登録日2015-01-26
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM.
J.Biol.Chem., 290, 2015
6QAJ
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BU of 6qaj by Molmil
Structure of the tripartite motif of KAP1/TRIM28
分子名称: Endolysin,Transcription intermediary factor 1-beta, ZINC ION
著者Stoll, G.A, Oda, S, Yu, M, Modis, Y.
登録日2018-12-19
公開日2019-07-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.901 Å)
主引用文献Structure of KAP1 tripartite motif identifies molecular interfaces required for retroelement silencing.
Proc.Natl.Acad.Sci.USA, 116, 2019
4BKW
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BU of 4bkw by Molmil
Crystal structure of the C-terminal region of human ZFYVE9
分子名称: 1,2-ETHANEDIOL, TETRAETHYLENE GLYCOL, ZINC FINGER FYVE DOMAIN-CONTAINING PROTEIN 9
著者Williams, E, Krojer, T, Vollmar, M, Shrestha, L, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2013-04-30
公開日2013-05-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Crystal Structure of the C-Terminal Region of Human Zfyve9
Ph D Thesis, 2013
8IV5
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BU of 8iv5 by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 1C4 (local refinement)
分子名称: Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ...
著者Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
登録日2023-03-26
公開日2023-08-16
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
8IV8
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BU of 8iv8 by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 3E2 and 1C4 (local refinement)
分子名称: Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ...
著者Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
登録日2023-03-26
公開日2023-08-16
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.92 Å)
主引用文献Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
8IVA
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BU of 8iva by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs XMA01 and 3E2 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ...
著者Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
登録日2023-03-26
公開日2023-08-16
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
8IV4
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BU of 8iv4 by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 3E2 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ...
著者Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
登録日2023-03-26
公開日2023-08-16
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
8JNQ
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BU of 8jnq by Molmil
Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889, in complex with a substrate compound c
分子名称: (1Z,3E,5E,7S,8R,10S,11R,13R,15R,16E,18E,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.09,13.08,15]octacosa-1(2),3,5,16,18-pentaene-20,27,28-trione, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Jiang, P, Zhang, L.P, Zhang, C.S.
登録日2023-06-06
公開日2023-11-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JNP
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Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889, in complex with the substrate ikarugamycin
分子名称: (1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(2),3,13,18-tetraene-20,27,28-trione, Cytochrome P450 CftA, PROTOPORPHYRIN IX CONTAINING FE
著者Jiang, P, Zhang, L.P, Zhang, C.S.
登録日2023-06-06
公開日2023-11-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
4AZZ
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BU of 4azz by Molmil
Carbohydrate binding module CBM66 from Bacillus subtilis
分子名称: LEVANASE
著者Gloster, T.M, Flint, J.E, Gilbert, H.J, Davies, G.J.
登録日2012-06-27
公開日2012-07-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献How Nature Can Exploit Nonspecific Catalytic and Carbohydrate Binding Modules to Create Enzymatic Specificity.
Proc.Natl.Acad.Sci.USA, 109, 2012
6ID1
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BU of 6id1 by Molmil
Cryo-EM structure of a human intron lariat spliceosome after Prp43 loaded (ILS2 complex) at 2.9 angstrom resolution
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, CWF19-like protein 2, Cell division cycle 5-like protein, ...
著者Zhang, X, Zhan, X, Yan, C, Shi, Y.
登録日2018-09-07
公開日2019-03-13
最終更新日2020-10-14
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Structures of the human spliceosomes before and after release of the ligated exon.
Cell Res., 29, 2019

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