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7UML
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BU of 7uml by Molmil
Structure of vesicular stomatitis virus (local reconstruction, 3.5 A resolution)
分子名称: Matrix protein, Nucleoprotein, RNA (5'-R(P*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3')
著者Jenni, S, Horwitz, J.A, Bloyet, L.-M, Whelan, S.P.J, Harrison, S.C.
登録日2022-04-07
公開日2022-04-20
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Visualizing molecular interactions that determine assembly of a bullet-shaped vesicular stomatitis virus particle.
Nat Commun, 13, 2022
7PUS
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BU of 7pus by Molmil
ERK5 in complex with Pyrrole Carboxamide scaffold
分子名称: 4-[3,6-bis(chloranyl)-2-fluoranyl-phenyl]carbonyl-~{N}-(1-methylpyrazol-4-yl)-1~{H}-pyrrole-2-carboxamide, Mitogen-activated protein kinase 7
著者Tucker, J.A, Martin, M.P, Endicott, J.A, Noble, M.E.N.
登録日2021-09-30
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Parallel Optimization of Potency and Pharmacokinetics Leading to the Discovery of a Pyrrole Carboxamide ERK5 Kinase Domain Inhibitor.
J.Med.Chem., 65, 2022
5O6J
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BU of 5o6j by Molmil
Human NMT1 in complex with myristoyl-CoA and inhibitor IMP-1031
分子名称: 1-[5-[3-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, Glycylpeptide N-tetradecanoyltransferase 1, MAGNESIUM ION, ...
著者Brannigan, J.A, Wilkinson, A.J.
登録日2017-06-06
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
5O7I
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BU of 5o7i by Molmil
ERK5 in complex with a pyrrole inhibitor
分子名称: 4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{N}-pyridin-3-yl-1~{H}-pyrrole-2-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 7
著者Tucker, J.A, Heptinstall, A, Myers, S.
登録日2017-06-08
公開日2018-06-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4.
Eur.J.Med.Chem., 178, 2019
5O6H
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BU of 5o6h by Molmil
Human NMT1 in complex with myristoyl-CoA and inhibitor IMP-917
分子名称: 1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Brannigan, J.A, Wilkinson, A.J.
登録日2017-06-06
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
2ALD
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BU of 2ald by Molmil
HUMAN MUSCLE ALDOLASE
分子名称: FRUCTOSE-BISPHOSPHATE ALDOLASE
著者Dalby, A.R, Littlechild, J.A.
登録日1998-10-21
公開日1999-04-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human muscle aldolase complexed with fructose 1,6-bisphosphate: mechanistic implications.
Protein Sci., 8, 1999
5O48
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BU of 5o48 by Molmil
P.vivax NMT with an aminomethylindazole inhibitor bound
分子名称: 1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, 2-oxopentadecyl-CoA, CHLORIDE ION, ...
著者Brannigan, J.A, Wilkinson, A.J.
登録日2017-05-26
公開日2018-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
6I5C
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BU of 6i5c by Molmil
Long wavelength native-SAD phasing of Tubulin-Stathmin-TTL complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Basu, S, Olieric, V, Matsugaki, N, Kawano, Y, Takashi, T, Huang, C.Y, Leonarski, F, Yamada, Y, Vera, L, Olieric, N, Basquin, J, Wojdyla, J.A, Diederichs, K, Yamamoto, M, Bunk, O, Wang, M.
登録日2018-11-13
公開日2019-03-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Long-wavelength native-SAD phasing: opportunities and challenges.
Iucrj, 6, 2019
5O4V
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BU of 5o4v by Molmil
P.vivax NMT with aminomethylindazole and quinoline inhibitors bound
分子名称: 1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, 2-oxopentadecyl-CoA, CHLORIDE ION, ...
著者Brannigan, J.A, Wilkinson, A.J.
登録日2017-05-31
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
7MW8
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BU of 7mw8 by Molmil
Crystal Structure Analysis of Xac Nucleotide Pyrophosphatase/Phosphodiesterase
分子名称: Phosphodiesterase-nucleotide pyrophosphatase, ZINC ION, pApG
著者Fernandez, D, Li, L, Brown, J.A.
登録日2021-05-15
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献ENPP1's regulation of extracellular cGAMP is a ubiquitous mechanism of attenuating STING signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
5D6P
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BU of 5d6p by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea, DNA gyrase subunit B, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-12
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
5D6Q
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BU of 5d6q by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea, DNA gyrase subunit B, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-12
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
5D7D
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BU of 5d7d by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-13
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5D7C
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BU of 5d7c by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]urea, DNA gyrase subunit B, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-13
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
5D7R
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BU of 5d7r by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-hydroxy-5-[5-(6-hydroxy-7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid, CHLORIDE ION, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-14
公開日2015-11-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5DU8
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BU of 5du8 by Molmil
Crystal structure of M. tuberculosis EchA6 bound to GSK572A
分子名称: (5R,7S)-5-(4-ethylphenyl)-N-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6
著者Cox, J.A.G, Besra, G.S, Futterer, K.
登録日2015-09-18
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
7BNX
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BU of 7bnx by Molmil
Archeal holliday junction resolvase from Thermus thermophilus phage 15-6
分子名称: Holliday junction resolvase, SULFATE ION
著者Hakansson, M, Ahlqvist, J, Linares Pasten, J.A, Jasilionis, A, Nordberg Karlsson, E, Al-Karadaghi, S.
登録日2021-01-22
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.551 Å)
主引用文献Crystal structure and initial characterization of a novel archaeal-like Holliday junction-resolving enzyme from Thermus thermophilus phage Tth15-6.
Acta Crystallogr D Struct Biol, 78, 2022
7BGS
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BU of 7bgs by Molmil
Archeal holliday junction resolvase from Thermus thermophilus phage 15-6
分子名称: Holliday junction resolvase, SULFATE ION
著者Hakansson, M, Ahlqvist, J, Linares Pasten, J.A, Jasilionis, A, Nordberg Karlsson, E, Al-Karadaghi, S.
登録日2021-01-08
公開日2022-01-19
最終更新日2022-02-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure and initial characterization of a novel archaeal-like Holliday junction-resolving enzyme from Thermus thermophilus phage Tth15-6.
Acta Crystallogr D Struct Biol, 78, 2022
3KPB
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BU of 3kpb by Molmil
Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine.
分子名称: GLYCEROL, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100
著者Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Cruz, L.A.
登録日2009-11-16
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Binding of S-Methyl-5'-Thioadenosine and S-Adenosyl-l-Methionine to Protein MJ0100 Triggers an Open-to-Closed Conformational Change in Its CBS Motif Pair.
J.Mol.Biol., 396, 2010
3KPD
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BU of 3kpd by Molmil
Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine.
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100
著者Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Chantar, M.L, Martinez-Cruz, L.A.
登録日2009-11-16
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Binding of S-Methyl-5'-Thioadenosine and S-Adenosyl-l-Methionine to Protein MJ0100 Triggers an Open-to-Closed Conformational Change in Its CBS Motif Pair.
J.Mol.Biol., 396, 2010
5DTP
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BU of 5dtp by Molmil
Crystal structure of M. tuberculosis EchA6 (apo, trigonal crystal form)
分子名称: Probable enoyl-CoA hydratase echA6
著者Cox, J.A.G, Besra, G.S, Futterer, K.
登録日2015-09-18
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
5DU4
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BU of 5du4 by Molmil
Crystal structure of M. tuberculosis EchA6 bound to ligand GSK366A
分子名称: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6
著者Cox, J.A.G, Besra, G.S, Futterer, K.
登録日2015-09-18
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
3KPC
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BU of 3kpc by Molmil
Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100
著者Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Chantar, M.L, Martinez-Cruz, L.A.
登録日2009-11-16
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Binding of S-Methyl-5'-Thioadenosine and S-Adenosyl-l-Methionine to Protein MJ0100 Triggers an Open-to-Closed Conformational Change in Its CBS Motif Pair.
J.Mol.Biol., 396, 2010
5DTW
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BU of 5dtw by Molmil
Crystal structure of M. tuberculosis EchA6 bound to C20-CoA
分子名称: Arachinoyl-CoA, enoyl-CoA hydratase echA6
著者Cox, J.A.G, Besra, G.S, Futterer, K.
登録日2015-09-18
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.439 Å)
主引用文献THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
5DUF
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BU of 5duf by Molmil
Crystal structure of M. tuberculosis EchA6 bound to ligand GSK729A
分子名称: (5R,7S)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid, Probable enoyl-CoA hydratase echA6
著者Cox, J.A.G, Besra, G.S, Futterer, K.
登録日2015-09-18
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016

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