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2H96
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Discovery of Potent, Highly Selective, and Orally Bioavailable Pyridine Carboxamide C-jun NH2-terminal Kinase Inhibitors
分子名称: 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE, C-jun-amino-terminal kinase-interacting protein 1, GLYCEROL, ...
著者Abad-Zapatero, C.
登録日2006-06-09
公開日2006-07-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of potent, highly selective, and orally bioavailable pyridine carboxamide c-Jun NH2-terminal kinase inhibitors.
J.Med.Chem., 49, 2006
2GMX
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Selective Aminopyridine-Based C-Jun N-terminal Kinase inhibitors with cellular activity
分子名称: C-jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE, ...
著者Abad-Zapatero, C.
登録日2006-04-07
公開日2006-06-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Aminopyridine-Based c-Jun N-Terminal Kinase Inhibitors with Cellular Activity and Minimal Cross-Kinase Activity.
J.Med.Chem., 49, 2006
3CX2
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Crystal structure of the C1 domain of cardiac isoform of myosin binding protein-C at 1.3A
分子名称: Myosin-binding protein C, cardiac-type
著者Fisher, S.J, Helliwell, J.R, Khurshid, S, Govada, L, Redwood, C, Squire, J.M, Chayen, N.E.
登録日2008-04-23
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献An investigation into the protonation states of the C1 domain of cardiac myosin-binding protein C
Acta Crystallogr.,Sect.D, 64, 2008
3CP5
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Cytochrome c from rhodothermus marinus
分子名称: Cytochrome c, HEME C, SULFATE ION
著者Stelter, M, Melo, A, Saraiva, L, Teixeira, M, Archer, M.
登録日2008-03-31
公開日2008-10-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献A novel type of monoheme cytochrome c: biochemical and structural characterization at 1.23 A resolution of rhodothermus marinus cytochrome c
Biochemistry, 47, 2008
2IN6
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Wee1 kinase complex with inhibitor PD311839
分子名称: 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID, Wee1-like protein kinase
著者Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N.
登録日2006-10-05
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases.
Eur.J.Med.Chem., 43, 2008
2IO6
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Wee1 kinase complexed with inhibitor PD330961
分子名称: 9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, Wee1-like protein kinase
著者Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N.
登録日2006-10-10
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases.
Eur.J.Med.Chem., 43, 2008
3CX5
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Structure of complex III with bound cytochrome c in reduced state and definition of a minimal core interface for electron transfer.
分子名称: (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoate, (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate, ...
著者Solmaz, S.R.N, Hunte, C.
登録日2008-04-23
公開日2008-05-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of complex III with bound cytochrome c in reduced state and definition of a minimal core interface for electron transfer.
J.Biol.Chem., 283, 2008
7S9Z
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Helicobacter Hepaticus CcsBA Closed Conformation
分子名称: Cytochrome c biogenesis protein, HEME B/C, PHOSPHATIDYLETHANOLAMINE
著者Mendez, D.L, Lowder, E.P, Tillman, D.E, Sutherland, M.C, Collier, A.L, Rau, M.J, Fitzpatrick, J.A, Kranz, R.G.
登録日2021-09-21
公開日2021-12-22
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (4.14 Å)
主引用文献Cryo-EM of CcsBA reveals the basis for cytochrome c biogenesis and heme transport.
Nat.Chem.Biol., 18, 2022
7S9Y
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Helicobacter Hepaticus CcsBA Open Conformation
分子名称: Cytochrome c biogenesis protein, HEME B/C, PHOSPHATIDYLETHANOLAMINE
著者Mendez, D.L, Lowder, E.P, Tillman, D.E, Sutherland, M.C, Collier, A.L, Rau, M.J, Fitzpatrick, J.A, Kranz, R.G.
登録日2021-09-21
公開日2021-12-22
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.56 Å)
主引用文献Cryo-EM of CcsBA reveals the basis for cytochrome c biogenesis and heme transport.
Nat.Chem.Biol., 18, 2022
5D98
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Influenza C Virus RNA-dependent RNA Polymerase - Space group P43212
分子名称: MAGNESIUM ION, Polymerase acidic protein, Polymerase basic protein 2, ...
著者Hengrung, N, El Omari, K, Serna Martin, I, Vreede, F.T, Cusack, S, Rambo, R.P, Vonrhein, C, Bricogne, G, Stuart, D.I, Grimes, J.M, Fodor, E.
登録日2015-08-18
公開日2015-10-21
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Crystal structure of the RNA-dependent RNA polymerase from influenza C virus.
Nature, 527, 2015
2IA8
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Kinetic and Crystallographic Studies of a Redesigned Manganese-Binding Site in Cytochrome c Peroxidase
分子名称: Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE
著者Pfister, T, Mirarefi, A.Y, Gengenbach, A.J, Zhao, X, Conaster, C.D.N, Gao, Y.G, Robinson, H, Zukoski, C.F, Wang, A.H.J, Lu, Y.
登録日2006-09-07
公開日2007-08-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Kinetic and crystallographic studies of a redesigned manganese-binding site in cytochrome c peroxidase
J.Biol.Inorg.Chem., 12, 2007
5D9A
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Influenza C Virus RNA-dependent RNA Polymerase - Space group P212121
分子名称: Polymerase acidic protein, Polymerase basic protein 2, RNA-directed RNA polymerase catalytic subunit
著者Hengrung, N, El Omari, K, Serna Martin, I, Vreede, F.T, Cusack, S, Rambo, R.P, Vonrhein, C, Bricogne, G, Stuart, D.I, Grimes, J.M, Fodor, E.
登録日2015-08-18
公開日2015-10-21
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献Crystal structure of the RNA-dependent RNA polymerase from influenza C virus.
Nature, 527, 2015
5Y6G
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PilZ domain with c-di-GMP of YcgR from Escherichia coli
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Flagellar brake protein YcgR, SULFATE ION
著者Hou, Y.J, Wang, D.C, Li, D.F.
登録日2017-08-11
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into the mechanism of c-di-GMP-bound YcgR regulating flagellar motility inEscherichia coli.
J.Biol.Chem., 295, 2020
2I8F
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Solution Conformation of the H47A Mutant of Pseudomonas stutzeri ZoBell Ferrocytochrome c-551
分子名称: Cytochrome c-551, HEME C
著者Liang, Q, Timkovich, R.
登録日2006-09-01
公開日2007-06-05
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献Solution Conformation of the His-47 to Ala-47 Mutant of Pseudomonas stutzeri ZoBell Ferrocytochrome c-551.
Biophys.J., 93, 2007
1LQV
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Crystal structure of the Endothelial protein C receptor with phospholipid in the groove in complex with Gla domain of protein C.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Endothelial protein C receptor, ...
著者Oganesyan, V, Oganesyan, N, Terzyan, S, Dongfeng, Q, Dauter, Z, Esmon, N.L, Esmon, C.T.
登録日2002-05-13
公開日2002-06-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The crystal structure of the endothelial protein C receptor and a bound phospholipid.
J.Biol.Chem., 277, 2002
3S8G
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1.8 A structure of ba3 cytochrome c oxidase mutant (A120F) from Thermus thermophilus in lipid environment
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ...
著者Tiefenbrunn, T, Liu, W, Chen, Y, Katritch, V, Stout, C.D, Fee, J.A, Cherezov, V.
登録日2011-05-27
公開日2011-08-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High resolution structure of the ba3 cytochrome c oxidase from Thermus thermophilus in a lipidic environment.
Plos One, 6, 2011
3S8F
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1.8 A structure of ba3 cytochrome c oxidase from Thermus thermophilus in lipid environment
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ...
著者Tiefenbrunn, T, Liu, W, Chen, Y, Katritch, V, Stout, C.D, Fee, J.A, Cherezov, V.
登録日2011-05-27
公開日2011-08-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High resolution structure of the ba3 cytochrome c oxidase from Thermus thermophilus in a lipidic environment.
Plos One, 6, 2011
6YYJ
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Crystal structure of native Phycocyanin from T. elongatus in spacegroup P21212 at 2.1 Angstroms
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, C-phycocyanin alpha chain, ...
著者Feiler, C.G, Falke, S, Sarrou, I.
登録日2020-05-05
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献C-phycocyanin as a highly attractive model system in protein crystallography: unique crystallization properties and packing-diversity screening.
Acta Crystallogr D Struct Biol, 77, 2021
4U01
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HCV NS3/4A serine protease in complex with 6570
分子名称: (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide, CHLORIDE ION, NS4A protein, ...
著者Parsy, C.C, Alexandre, F.-R, Brandt, G, Caillet, C, Chaves, D, Derock, M, Gloux, D, Griffon, Y, Lallos, L.B, Leroy, F, Liuzzi, M, Loi, A.-G, Mayes, B, Moulat, L, Moussa, A, Chiara, M, Roques, V, Rosinovsky, E, Seifer, M, Stewart, A, Wang, J, Standring, D, Surleraux, D.
登録日2014-07-11
公開日2015-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and structural diversity of the hepatitis C virus NS3/4A serine protease inhibitor series leading to clinical candidate IDX320.
Bioorg.Med.Chem.Lett., 25, 2015
6FU3
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Structure of the mixed-valence, active form, of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae
分子名称: CALCIUM ION, HEME C, Protein CcpR
著者Carvalho, A.L, Romao, M.J, Pauleta, S, Nobrega, C.
登録日2018-02-26
公開日2019-03-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the mixed-valence, active form, of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae
To Be Published
8FSJ
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Cryo-EM structure of engineered hepatitis C virus E1E2 ectodomain in complex with antibodies AR4A, HEPC74, and IGH520
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AR4A heavy chain, ...
著者Metcalf, M.C, Ofek, G.
登録日2023-01-10
公開日2023-07-19
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Structure of engineered hepatitis C virus E1E2 ectodomain in complex with neutralizing antibodies.
Nat Commun, 14, 2023
8OHM
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CRYSTAL STRUCTURE OF RNA HELICASE FROM GENOTYPE 1B HEPATITIS C VIRUS: MECHANISM OF UNWINDING DUPLEX RNA
分子名称: RNA HELICASE
著者Cho, H.S, Ha, N.C, Kang, L.W, Oh, B.H.
登録日1998-03-13
公開日1999-04-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of RNA helicase from genotype 1b hepatitis C virus. A feasible mechanism of unwinding duplex RNA.
J.Biol.Chem., 273, 1998
6YQ8
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Crystal structure of native Phycocyanin from T. elongatus in spacegroup P63 at 1.8 Angstroms
分子名称: 1,2-ETHANEDIOL, C-phycocyanin alpha chain, C-phycocyanin beta chain, ...
著者Feiler, C.G, Falke, S, Sarrou, I.
登録日2020-04-16
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献C-phycocyanin as a highly attractive model system in protein crystallography: unique crystallization properties and packing-diversity screening.
Acta Crystallogr D Struct Biol, 77, 2021
5KE0
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Discovery of 1-1H-Pyrazolo 4,3-c pyridine-6-yl urea Inhibitors of Extracellular Signal Regulated Kinase ERK for the Treatment of Cancers
分子名称: 1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea, Mitogen-activated protein kinase 1, SULFATE ION
著者Hruza, A, Lim, J.
登録日2016-06-09
公開日2016-07-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Discovery of 1-(1H-Pyrazolo[4,3-c]pyridin-6-yl)urea Inhibitors of Extracellular Signal-Regulated Kinase (ERK) for the Treatment of Cancers.
J.Med.Chem., 59, 2016
6PFV
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Structure of S. venezuelae RisG-WhiG-c-di-GMP complex: orthorhombic crystal form
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), AmfC protein, RNA polymerase sigma factor
著者Schumacher, M.A.
登録日2019-06-22
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献c-di-GMP Arms an Anti-sigma to Control Progression of Multicellular Differentiation in Streptomyces.
Mol.Cell, 77, 2020

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