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6Z50
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Crystal structure of CLK1 in complex with macrocycle ODS2003208
分子名称: 1,2-ETHANEDIOL, 11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Dual specificity protein kinase CLK1, ...
著者Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-05-26
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of CLK1 in complex with macrocycle ODS2003208
To Be Published
6Z4W
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FtsE structure from Streptococcus pneumoniae in complex with ADP (space group P 1)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE
著者Alcorlo, M, Straume, D, Hermoso, J.A, Havarstein, L.S.
登録日2020-05-26
公開日2020-09-02
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structural Characterization of the Essential Cell Division Protein FtsE and Its Interaction with FtsX in Streptococcus pneumoniae.
Mbio, 11, 2020
6Z54
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Crystal structure of CLK3 in complex with macrocycle ODS2003178
分子名称: 1,2-ETHANEDIOL, 11,15-Dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Dual specificity protein kinase CLK3, ...
著者Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-05-26
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal structure of CLK3 in complex with macrocycle ODS2003178
To Be Published
6Z4Z
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Crystal structure of CLK1 in complex with macrocycle ODS2004070
分子名称: 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid, Dual specificity protein kinase CLK1, GLYCEROL, ...
著者Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-05-26
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal structure of CLK1 in complex with macrocycle ODS2004070
To Be Published
6Z55
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BU of 6z55 by Molmil
Crystal structure of CLK3 in complex with macrocycle ODS2004070
分子名称: 1,2-ETHANEDIOL, 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid, Dual specificity protein kinase CLK3, ...
著者Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-05-26
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of CLK3 in complex with macrocycle ODS2004070
To Be Published
6Z51
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Crystal structure of CLK3 in complex with macrocycle ODS2002941
分子名称: 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3, N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide, ...
著者Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-05-26
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal structure of CLK3 in complex with macrocycle ODS2002941
To Be Published
6Z4Y
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Crystal structure of Aurora A (STK6) in complex with macrocycle ODS2003208
分子名称: 1,2-ETHANEDIOL, 6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Aurora kinase A, ...
著者Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-05-26
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of Aurora A (STK6) in complex with macrocycle ODS2003208
To Be Published
6Z52
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Crystal structure of CLK3 in complex with macrocycle ODS2003136
分子名称: 1,2-ETHANEDIOL, 11,15-dimethyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, CHLORIDE ION, ...
著者Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-05-26
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal structure of CLK3 in complex with macrocycle ODS2003136
To Be Published
6X5J
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BU of 6x5j by Molmil
Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors
分子名称: 2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, Coagulation factor IX, ...
著者Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S.
登録日2020-05-26
公開日2020-06-24
実験手法X-RAY DIFFRACTION (2.513 Å)
主引用文献Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6X5L
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Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors
分子名称: 4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide, CITRIC ACID, Coagulation factor IX, ...
著者Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S.
登録日2020-05-26
公開日2020-06-24
実験手法X-RAY DIFFRACTION (2.246 Å)
主引用文献Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6X5B
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BU of 6x5b by Molmil
Symmetric model of CD4- and 17-bound B41 HIV-1 Env SOSIP in complex with small molecule GO52
分子名称: 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2020-05-25
公開日2020-10-21
最終更新日2020-12-09
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献A Strain-Specific Inhibitor of Receptor-Bound HIV-1 Targets a Pocket near the Fusion Peptide.
Cell Rep, 33, 2020
7C7J
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BU of 7c7j by Molmil
Crystal structure of SHANK3 SPN domain in complex with GTP-bound Rap1b(G12V,Q63E)
分子名称: CALCIUM ION, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Xiao, L.X, Pan, L.F.
登録日2020-05-25
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Mechanistic Insights into the Interactions of Ras Subfamily GTPases with the SPN Domain of Autism-associated SHANK3.
Chin.J.Chem., 38, 2020
7C7I
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BU of 7c7i by Molmil
Crystal structure of SHANK3 SPN domain in complex with GTP-bound Rap1b(E30D,K31E)
分子名称: CALCIUM ION, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Xiao, L.X, Pan, L.F.
登録日2020-05-25
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Mechanistic Insights into the Interactions of Ras Subfamily GTPases with the SPN Domain of Autism-associated SHANK3.
Chin.J.Chem., 38, 2020
6Z4K
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BU of 6z4k by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 6 in P21 space group
分子名称: CHLORIDE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4M
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A4V mutant of human SOD1 bound with 2-(pyridin-3-ylmethyl)benzoisoselenazolone derivative 10 in P21 space group
分子名称: CHLORIDE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4H
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BU of 6z4h by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 2 in P21 space group
分子名称: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4L
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BU of 6z4l by Molmil
A4V mutant of human SOD1 bound with 2-(pyridin-3-ylmethyl)benzoisoselenazolone derivative 9 in P21 space group
分子名称: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4E
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BU of 6z4e by Molmil
The structure of the C-terminal domain of RssB from E. coli
分子名称: Regulator of RpoS
著者Zeth, K, Dimce, M, Terrence, D.M, Schuenemann, V, Dougan, D.
登録日2020-05-25
公開日2020-07-29
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insight into the RssB-Mediated Recognition and Delivery of sigma s to the AAA+ Protease, ClpXP.
Biomolecules, 10, 2020
6Z4J
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BU of 6z4j by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 5 in P21 space group
分子名称: CHLORIDE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4G
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BU of 6z4g by Molmil
A4V mutant of human SOD1 bound with ebselen in P21 space group
分子名称: ACETATE ION, CHLORIDE ION, N-phenyl-2-selanylbenzamide, ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4C
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BU of 6z4c by Molmil
The structure of the N-terminal domain of RssB from E. coli
分子名称: Regulator of RpoS
著者Zeth, K, Dimce, M, Terrence, D.M, Schuenemann, V, Dougan, D.
登録日2020-05-25
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insight into the RssB-Mediated Recognition and Delivery of sigma s to the AAA+ Protease, ClpXP.
Biomolecules, 10, 2020
6Z4I
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BU of 6z4i by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 3 in P21 space group
分子名称: ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4O
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BU of 6z4o by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 1 in P21 space group
分子名称: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4Q
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Crystal structure of the neurotensin receptor 1 in complex with the small-molecule inverse agonist SR142948A
分子名称: 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-propan-2-yl-phenyl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin
著者Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A.
登録日2020-05-25
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.923 Å)
主引用文献Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
6Z4S
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Crystal structure of the neurotensin receptor 1 (NTSR1-H4bmx) in complex with the small molecule inverse agonist SR48692
分子名称: 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Neurotensin receptor type 1,DARPin,HRV 3C protease recognition sequence
著者Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A.
登録日2020-05-25
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.707 Å)
主引用文献Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021

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件を2024-08-14に公開中

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