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PDB: 85 件
5WE9
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BU of 5we9 by Molmil
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
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BU of 5w7u by Molmil
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
5W3I
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Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 6e (SRI-29685)
分子名称: 5-hydroxy-N-(2-methoxyethyl)-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide, GLYCEROL, MANGANESE (II) ION, ...
著者Kumar, G, White, S.W.
登録日2017-06-07
公開日2017-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 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
5W44
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BU of 5w44 by Molmil
Crystal structure of the influenza virus PA endonuclease 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, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Kumar, G, White, S.W.
登録日2017-06-09
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 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
5WDW
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BU of 5wdw by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 10k (SRI-30027)
分子名称: 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-{[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein
著者Kumar, G, White, S.W.
登録日2017-07-06
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 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
5WA6
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Crystal structure of the influenza virus PA endonuclease in complex with an inhibitor - SRI-30007
分子名称: 2-{(2S)-1-[(2-fluorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein
著者Kumar, G, White, S.W.
登録日2017-06-25
公開日2018-05-02
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
5WAP
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BU of 5wap by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 10i (SRI-30025)
分子名称: 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ...
著者Kumar, G, White, S.W.
登録日2017-06-26
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.201 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
5W92
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BU of 5w92 by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with an inhibitor - SRI-30049
分子名称: 1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one, 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, ...
著者Kumar, G, White, S.
登録日2017-06-22
公開日2018-02-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 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
5WDN
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BU of 5wdn by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 6d (SRI-29680)
分子名称: 5-hydroxy-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Kumar, G, White, S.W.
登録日2017-07-05
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 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
5WCT
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BU of 5wct by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 6c (SRI-29775)
分子名称: 2-{(2S)-1-[(4-chlorophenyl)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Kumar, G, White, S.W.
登録日2017-07-01
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 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
5KYM
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BU of 5kym by Molmil
Crystal Structure of the 1-acyl-sn-glycerophosphate (LPA) acyltransferase, PlsC, from Thermotoga maritima
分子名称: 1-HEPTADECANOYL-2-TRIDECANOYL-3-GLYCEROL-PHOSPHONYL CHOLINE, 1-acyl-sn-glycerol-3-phosphate acyltransferase, DODECYL-BETA-D-MALTOSIDE, ...
著者Robertson, R.M, Yao, J, Gajewski, S, Kumar, G, Martin, E.W, Rock, C.O, White, S.W.
登録日2016-07-21
公開日2017-07-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A two-helix motif positions the lysophosphatidic acid acyltransferase active site for catalysis within the membrane bilayer.
Nat. Struct. Mol. Biol., 24, 2017
2W9P
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BU of 2w9p by Molmil
Crystal Structure of Potato Multicystatin
分子名称: MULTICYSTATIN
著者Nissen, M.S, Kumar, G.N, Youn, B, Knowles, D.B, Lam, K.S, Ballinger, W.J, Knowles, N.R, Kang, C.
登録日2009-01-28
公開日2010-02-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Characterization of Solanum Tuberosum Multicystatin and its Structural Comparison with Other Cystatins.
Plant Cell, 21, 2009
1JO1
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BU of 1jo1 by Molmil
N7-Guanine Adduct of 2,7-diaminomitosene with DNA
分子名称: 5'-D(*GP*TP*GP*(DAJ)GP*TP*AP*TP*AP*CP*CP*AP*C)-3', DECARBAMOYL-2,7-DIAMINOMITOSENE
著者Subramaniam, G, Paz, M.M, Kumar, G.S, Das, A, Palom, Y, Clement, C.C, Patel, D.J, Tomasz, M.
登録日2001-07-26
公開日2001-09-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of a guanine-N7-linked complex of the mitomycin C metabolite 2,7-diaminomitosene and DNA. Basis of sequence selectivity.
Biochemistry, 40, 2001
2W9Q
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BU of 2w9q by Molmil
Crystal Structure of Potato Multicystatin-P212121
分子名称: MULTICYSTATIN
著者Nissen, M.S, Kumar, G.N, Youn, B, Knowles, D.B, Lam, K.S, Ballinger, W.J, Knowles, N.R, Kang, C.
登録日2009-01-28
公開日2010-02-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Characterization of Solanum Tuberosum Multicystatin and its Structural Comparison with Other Cystatins.
Plant Cell, 21, 2009
6WS3
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BU of 6ws3 by Molmil
The crystal structure of the 2009/H1N1/California PA endonuclease wild type bound to DNA oligomers TG and AGCA (from cleaved GTGAGCAGTG)
分子名称: DNA (5'-D(P*TP*G)-3'), GLYCEROL, MANGANESE (II) ION, ...
著者Cuypers, M.G, Kumar, G, Webb, T, White, S.W.
登録日2020-04-30
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into the substrate specificity of the endonuclease activity of the influenza virus cap-snatching mechanism.
Nucleic Acids Res., 49, 2021
6W7A
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BU of 6w7a by Molmil
The crystal structure of the 2009/H1N1/California PA endonuclease mutant E119D bound to DNA oligomer TAGCAT (uncleaved, 5mM overnight DNA soak)
分子名称: DNA (5'-D(P*TP*AP*GP*CP*AP*T)-3'), GLYCEROL, MANGANESE (II) ION, ...
著者Cuypers, M.G, Kumar, G, Webb, T, White, S.W.
登録日2020-03-18
公開日2021-02-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural insights into the substrate specificity of the endonuclease activity of the influenza virus cap-snatching mechanism.
Nucleic Acids Res., 49, 2021
6WHM
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BU of 6whm by Molmil
The crystal structure of the 2009/H1N1/California PA endonuclease wild type bound to DNA oligomer TAGC (cleaved TTAGCATT, 5mM overnight DNA soak)
分子名称: DNA (5'-D(P*TP*AP*GP*C)-3'), GLYCEROL, MAGNESIUM ION, ...
著者Cuypers, M.G, Kumar, G, Webb, T, White, S.W.
登録日2020-04-08
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural insights into the substrate specificity of the endonuclease activity of the influenza virus cap-snatching mechanism.
Nucleic Acids Res., 49, 2021
7KL3
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BU of 7kl3 by Molmil
The crystal structure of the 2009/H1N1/California PA endonuclease mutant E119D bound to RNA oligomer AG*CAUC (*uncleaveable bond, -UC disordered)
分子名称: 5'-O-sulfocytidine, ADENOSINE MONOPHOSPHATE, GLYCEROL, ...
著者Cuypers, M.G, Kumar, G, White, S.W.
登録日2020-10-28
公開日2021-02-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural insights into the substrate specificity of the endonuclease activity of the influenza virus cap-snatching mechanism.
Nucleic Acids Res., 49, 2021
7KBC
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BU of 7kbc by Molmil
The crystal structure of the 2009/H1N1/California PA endonuclease mutant E119D (construct with truncated loop 51-72) in complex with baloxavir acid
分子名称: Baloxavir acid, GLYCEROL, Hexa Vinylpyrrolidone K15, ...
著者Cuypers, M.G, Kumar, G, Slavish, J, White, S.W.
登録日2020-10-02
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural insights into the substrate specificity of the endonuclease activity of the influenza virus cap-snatching mechanism.
Nucleic Acids Res., 49, 2021
4HTM
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BU of 4htm by Molmil
Mechanism of CREB Recognition and Coactivation by the CREB Regulated Transcriptional Coactivator CRTC2
分子名称: CREB-regulated transcription coactivator 2, ZINC ION
著者Luo, Q, Viste, K, Urday-Zaa, J.C, Kumar, G.S, Tsai, W.-W, Talai, A, Mayo, K, Montminy, M, Radhakrishnan, I.
登録日2012-11-01
公開日2012-12-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Protein kinase N1, a cell inhibitor of Akt kinase, has a central role in quality control of germinal center formation
Proc.Natl.Acad.Sci.USA, 2012
7KAF
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BU of 7kaf by Molmil
The crystal structure of the 2009/H1N1/California PA endonuclease I38T (construct with truncated loop 51-72) in complex with baloxavir acid
分子名称: Baloxavir acid, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Kumar, G, Slavish, J, White, S.W.
登録日2020-09-30
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural insights into the substrate specificity of the endonuclease activity of the influenza virus cap-snatching mechanism.
Nucleic Acids Res., 49, 2021
6DNO
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BU of 6dno by Molmil
Crystal structure of Protein Phosphatase 1 (PP1) bound to the muscle glycogen-targeting subunit (Gm)
分子名称: Microcystin-LR, Protein phosphatase 1 regulatory subunit 3A, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit
著者Choy, M.S, Kumar, G.S, Peti, W, Page, R.
登録日2018-06-07
公開日2019-01-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Identification of the substrate recruitment mechanism of the muscle glycogen protein phosphatase 1 holoenzyme.
Sci Adv, 4, 2018
3GBU
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BU of 3gbu by Molmil
Crystal structure of an uncharacterized sugar kinase PH1459 from Pyrococcus horikoshii in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Uncharacterized sugar kinase PH1459
著者Eswaramoorthy, S, Kumar, G, Zhang, Z, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-02-20
公開日2009-03-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of an uncharacterized sugar kinase PH1459 from Pyrococcus horikoshii in complex with ATP
To be Published
1YZ2
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BU of 1yz2 by Molmil
Solution structure of Am2766
分子名称: Delta-conotoxin Am 2766
著者Sarma, S.P, Kumar, G.S, Sudarslal, S, Iengar, P, Sikdar, S.K, Krishnan, K.S, Balaram, P.
登録日2005-02-26
公開日2006-02-07
最終更新日2019-11-06
実験手法SOLUTION NMR
主引用文献Solution Structure of delta-Am2766: A Highly Hydrophobic delta-Conotoxin from Conus amadis That Inhibits Inactivation of Neuronal Voltage-Gated Sodium Channels
CHEM.BIODIVERS., 2, 2005
4M5M
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BU of 4m5m by Molmil
The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase
分子名称: 2-amino-1,9-dihydro-6H-purine-6-thione, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CALCIUM ION, ...
著者Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W.
登録日2013-08-08
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.118 Å)
主引用文献The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014

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