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3EOC
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BU of 3eoc by Molmil
Cdk2/CyclinA complexed with a imidazo triazin-2-amine
分子名称: 5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine, Cell division protein kinase 2, Cyclin-A2
著者Cheung, M, Kuntz, K, Pobanz, M, Salovich, J, Wilson, B, Andrews, W, Shewchuk, L, Epperly, A, Hassler, D, Leesnitzer, M, Smith, J, Smith, G, Lansing, T, Mook, R.
登録日2008-09-26
公開日2008-11-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Imidazo[5,1-f][1,2,4]triazin-2-amines as novel inhibitors of polo-like kinase 1.
Bioorg.Med.Chem.Lett., 18, 2008
4D3E
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BU of 4d3e by Molmil
Tetramer of IpaD, modified from 2J0O, fitted into negative stain electron microscopy reconstruction of the wild type tip complex from the type III secretion system of Shigella flexneri
分子名称: INVASIN IPAD
著者Cheung, M, Shen, D.-K, Makino, F, Kato, T, Roehrich, D, Martinez-Argudo, I, Walker, M.L, Murillo, I, Liu, X, Pain, M, Brown, J, Frazer, G, Mantell, J, Mina, P, Todd, T, Sessions, R.B, Namba, K, Blocker, A.J.
登録日2014-10-21
公開日2014-12-10
最終更新日2020-04-29
実験手法ELECTRON MICROSCOPY (2.12 Å)
主引用文献Three-Dimensional Electron Microscopy Reconstruction and Cysteine-Mediated Crosslinking Provide a Model of the T3Ss Needle Tip Complex.
Mol.Microbiol., 95, 2015
1Y6A
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BU of 1y6a by Molmil
Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor
分子名称: N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE, Vascular endothelial growth factor receptor 2
著者Harris, P.A, Cheung, M, Hunter, R.N, Brown, M.L, Veal, J.M, Nolte, R.T, Wang, L, Liu, W, Crosby, R.M, Johnson, J.H, Epperly, A.H, Kumar, R, Luttrell, D.K, Stafford, J.A.
登録日2004-12-05
公開日2005-06-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors.
J.Med.Chem., 48, 2005
1Y6B
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BU of 1y6b by Molmil
Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor
分子名称: N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE, Vascular endothelial growth factor receptor 2
著者Harris, P.A, Cheung, M, Hunter, R.N, Brown, M.L, Veal, J.M, Nolte, R.T, Wang, L, Liu, W, Crosby, R.M, Johnson, J.H, Epperly, A.H, Kumar, R, Luttrell, D.K, Stafford, J.A.
登録日2004-12-05
公開日2005-06-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors.
J.Med.Chem., 48, 2005
2KUO
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BU of 2kuo by Molmil
Structure and identification of ADP-ribose recognition motifs of APLF and role in the DNA damage response
分子名称: Aprataxin and PNK-like factor, ZINC ION
著者Li, G.Y, McCulloch, R.D, Fenton, A, Cheung, M, Meng, L, Ikura, M, Koch, C.A.
登録日2010-02-23
公開日2010-05-05
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Structure and identification of ADP-ribose recognition motifs of aprataxin PNK-like factor (APLF) required for the interaction with sites of DNA damage response
To be Published
3J0R
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BU of 3j0r by Molmil
Model of a type III secretion system needle based on a 7 Angstrom resolution cryoEM map
分子名称: Protein mxiH
著者Fujii, T, Cheung, M, Blanco, A, Kato, T, Blocker, A.J, Namba, K.
登録日2011-11-03
公開日2012-02-29
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (7.7 Å)
主引用文献Structure of a type III secretion needle at 7-A resolution provides insights into its assembly and signaling mechanisms.
Proc.Natl.Acad.Sci.USA, 109, 2012
3CJF
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BU of 3cjf by Molmil
Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing pyrimidine
分子名称: N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine, SULFATE ION, Vascular endothelial growth factor receptor 2
著者Nolte, R.T.
登録日2008-03-12
公開日2008-10-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor.
J.Med.Chem., 51, 2008
4YFF
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BU of 4yff by Molmil
TNNI3K complexed with inhibitor 2
分子名称: 3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide, Serine/threonine-protein kinase TNNI3K
著者Shewchuk, L.M, Wang, L, Lawhorn, B.G.
登録日2015-02-25
公開日2015-09-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K).
J.Med.Chem., 58, 2015
4YFI
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BU of 4yfi by Molmil
TNNI3K complexed with inhibitor 1
分子名称: N-methyl-3-(9H-purin-6-ylamino)benzenesulfonamide, Serine/threonine-protein kinase TNNI3K
著者Shewchuk, L.M, Wang, L, Lawhorn, B.G.
登録日2015-02-25
公開日2015-09-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K).
J.Med.Chem., 58, 2015
2OH4
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BU of 2oh4 by Molmil
Crystal structure of Vegfr2 with a benzimidazole-urea inhibitor
分子名称: METHYL (5-{4-[({[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-1H-BENZIMIDAZOL-2-YL)CARBAMATE, SULFATE ION, Vascular endothelial growth factor receptor 2
著者Nolte, R.T, Wang, L.
登録日2007-01-09
公開日2007-09-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of Novel Benzimidazoles as Potent Inhibitors of TIE-2 and VEGFR-2 Tyrosine Kinase Receptors.
J.Med.Chem., 50, 2007
3CJG
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BU of 3cjg by Molmil
Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing pyrimidine
分子名称: N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine, SULFATE ION, Vascular endothelial growth factor receptor 2
著者Nolte, R.T.
登録日2008-03-12
公開日2008-10-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor.
J.Med.Chem., 51, 2008
7MGJ
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BU of 7mgj by Molmil
TNNI3K complexed with N-methyl-4-(4-(3-(3-(trifluoromethyl) phenyl) ureido) phenoxy)picolinamide
分子名称: N-methyl-4-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]pyridine-2-carboxamide, Serine/threonine-protein kinase TNNI3K
著者Shewchuk, L.M.
登録日2021-04-12
公開日2021-11-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Identification of Diarylurea Inhibitors of the Cardiac-Specific Kinase TNNI3K by Designing Selectivity Against VEGFR2, p38 alpha , and B-Raf.
J.Med.Chem., 64, 2021
7MGK
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TNNI3K complexed with 1-(3,5-dichloro-4-((6-(methylamino)pyrimidin-4-yl)oxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
分子名称: N-(3,5-dichloro-4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)-N'-[3-(trifluoromethyl)phenyl]urea, Serine/threonine-protein kinase TNNI3K
著者Shewchuk, L.M.
登録日2021-04-12
公開日2021-11-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Identification of Diarylurea Inhibitors of the Cardiac-Specific Kinase TNNI3K by Designing Selectivity Against VEGFR2, p38 alpha , and B-Raf.
J.Med.Chem., 64, 2021
2MME
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BU of 2mme by Molmil
Hybrid structure of the Shigella flexneri MxiH Type three secretion system needle
分子名称: MxiH
著者Demers, J.P, Habenstein, B, Loquet, A, Vasa, S.K, Becker, S, Baker, D, Lange, A, Sgourakis, N.G.
登録日2014-03-14
公開日2014-10-08
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (7.7 Å), SOLID-STATE NMR
主引用文献High-resolution structure of the Shigella type-III secretion needle by solid-state NMR and cryo-electron microscopy.
Nat Commun, 5, 2014
2XXS
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BU of 2xxs by Molmil
Solution structure of the N-terminal domain of the Shigella type III secretion protein MxiG
分子名称: PROTEIN MXIG
著者McDowell, M.A, Johnson, S, Deane, J.E, McDonnell, J.M, Lea, S.M.
登録日2010-11-11
公開日2011-07-06
最終更新日2011-09-07
実験手法SOLUTION NMR
主引用文献Structural and Functional Studies on the N-Terminal Domain of the Shigella Type III Secretion Protein Mxig.
J.Biol.Chem., 286, 2011

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