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7LP8
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The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476
分子名称: (phenylmethyl) (2~{S})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{H}-pyrimidin-2-yl]pyrrolidine-1-carboxylate, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W.
登録日2021-02-11
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476
To Be Published
7LP7
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The crystal structure of the wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476
分子名称: (phenylmethyl) (2~{S})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{H}-pyrimidin-2-yl]pyrrolidine-1-carboxylate, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W.
登録日2021-02-11
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of the wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476
To Be Published
7ML8
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BU of 7ml8 by Molmil
The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ001023038
分子名称: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxamide, GLUTAMIC ACID, Hexa Vinylpyrrolidone K15, ...
著者Cuypers, M.G, Slavish, P.J, Yun, M.K, Dubois, R, Rankovic, Z, White, S.W.
登録日2021-04-27
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with St Jude compound AC067-19
To Be Published
1WHI
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BU of 1whi by Molmil
RIBOSOMAL PROTEIN L14
分子名称: RIBOSOMAL PROTEIN L14
著者Davies, C, White, S.W, Ramakrishnan, V.
登録日1996-01-10
公開日1996-08-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The crystal structure of ribosomal protein L14 reveals an important organizational component of the translational apparatus.
Structure, 4, 1996
7MY5
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BU of 7my5 by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503
分子名称: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
登録日2021-05-20
公開日2022-05-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503
To Be Published
7MX0
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BU of 7mx0 by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988558
分子名称: 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
登録日2021-05-17
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988558
To Be Published
7N68
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BU of 7n68 by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988288
分子名称: Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein,Polymerase acidic protein, ...
著者Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
登録日2021-06-07
公開日2022-06-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
8DIP
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BU of 8dip by Molmil
The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023030
分子名称: (2P)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
登録日2022-06-29
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
8DPJ
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BU of 8dpj by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023030
分子名称: (2P)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
登録日2022-07-15
公開日2022-09-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
2F9W
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BU of 2f9w by Molmil
Structure of the type III CoaA from Pseudomonas aeruginosa
分子名称: 1,2-ETHANEDIOL, GLYCEROL, PANTOTHENOIC ACID, ...
著者Leonardi, R, Yun, M.K, Chohnan, S, White, S.W, Rock, C.O, Jackowski, S.
登録日2005-12-06
公開日2006-08-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Prokaryotic Type II and Type III Pantothenate Kinases: The Same Monomer Fold Creates Dimers with Distinct Catalytic Properties.
Structure, 14, 2006
2F9T
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Structure of the type III CoaA from Pseudomonas aeruginosa
分子名称: Pantothenate Kinase
著者Leonardi, R, Yun, M.K, Chohnan, S, White, S.W, Rock, C.O, Jackowski, S.
登録日2005-12-06
公開日2006-08-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Prokaryotic Type II and Type III Pantothenate Kinases: The Same Monomer Fold Creates Dimers with Distinct Catalytic Properties.
Structure, 14, 2006
3V5O
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BU of 3v5o by Molmil
Structural and Mechanistic Studies of Catalysis and Sulfa Drug Resistance in Dihydropteroate Synthase
分子名称: Dihydropteroate synthase, SULFATE ION
著者Yun, M, Wu, Y, Li, Z, Zhao, Y, Waddell, M.B, Ferreira, A.M, Lee, R.E, Bashford, D, White, S.W.
登録日2011-12-16
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
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
7LM4
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BU of 7lm4 by Molmil
The crystal structure of the I38T mutant PA Endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503
分子名称: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W.
登録日2021-02-05
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7M0N
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BU of 7m0n by Molmil
The crystal structure of wild type PA endonuclease (A/Vietnam/1203/2004) in complex with Raltegravir
分子名称: GLYCEROL, MANGANESE (II) ION, N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide, ...
著者Cuypers, M.G, Slavish, P.J, Yun, M.K, Dubois, R, Rankovic, Z, White, S.W.
登録日2021-03-11
公開日2022-03-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7MPF
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BU of 7mpf by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000986436
分子名称: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
登録日2021-05-04
公開日2022-05-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7MTY
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BU of 7mty by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988569
分子名称: 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
登録日2021-05-13
公開日2022-05-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7LW6
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BU of 7lw6 by Molmil
The crystal structure of the 2009/H1N1/California PA endonuclease I38T mutant in complex with Raltegravir
分子名称: Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide, ...
著者Cuypers, M.G, Slavish, P.J, White, S.W, Rankovik, Z.
登録日2021-02-27
公開日2021-05-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
2B4Q
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BU of 2b4q by Molmil
Pseudomonas aeruginosa RhlG/NADP active-site complex
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Rhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase
著者Miller, D.J, White, S.W.
登録日2005-09-26
公開日2006-05-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of RhlG, an Essential beta-Ketoacyl Reductase in the Rhamnolipid Biosynthetic Pathway of Pseudomonas aeruginosa.
J.Biol.Chem., 281, 2006
7N47
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BU of 7n47 by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988514
分子名称: 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
登録日2021-06-03
公開日2022-06-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7N55
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BU of 7n55 by Molmil
The crystal structure of the mutant I38T PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988514
分子名称: 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
登録日2021-06-04
公開日2022-06-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7N8F
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BU of 7n8f by Molmil
The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988288
分子名称: Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein, ...
著者Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
登録日2021-06-14
公開日2022-06-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
2ALM
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BU of 2alm by Molmil
Crystal structure analysis of a mutant beta-ketoacyl-[acyl carrier protein] synthase II from Streptococcus pneumoniae
分子名称: 3-oxoacyl-(acyl-carrier-protein) synthase II, MAGNESIUM ION
著者Zhang, Y.M, Hurlbert, J, White, S.W, Rock, C.O.
登録日2005-08-07
公開日2005-08-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Roles of the active site water, histidine 303, and phenylalanine 396 in the catalytic mechanism of the elongation condensing enzyme of Streptococcus pneumoniae.
J.Biol.Chem., 281, 2006
7K77
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The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ001008025
分子名称: 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W.
登録日2020-09-22
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ001008025
To Be Published
2P2D
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BU of 2p2d by Molmil
Crystal Structure and Allosteric Regulation of the Cytoplasmic Escherichia coli L-Asparaginase I
分子名称: GLYCEROL, L-ASPARAGINASE I
著者Yun, M.-K, Nourse, A, White, S.W, Rock, C.O, Heath, R.J.
登録日2007-03-07
公開日2007-05-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal Structure and Allosteric Regulation of the Cytoplasmic Escherichia colil-Asparaginase I
J.Mol.Biol., 369, 2007

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