6GQO
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![BU of 6gqo by Molmil](/molmil-images/mine/6gqo) | Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 18) | 分子名称: | 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide, Vascular endothelial growth factor receptor 2 | 著者 | Ogg, D.J, Schimpl, M, Hardy, C.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | 登録日 | 2018-06-07 | 公開日 | 2018-09-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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6U36
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![BU of 6u36 by Molmil](/molmil-images/mine/6u36) | PCSK9 in complex with a Fab and compound 14 | 分子名称: | 2-fluoro-4-{[(1R)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1H-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ... | 著者 | Lu, J, Soisson, S. | 登録日 | 2019-08-21 | 公開日 | 2019-11-06 | 最終更新日 | 2020-01-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chem Biol, 27, 2020
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6S1I
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![BU of 6s1i by Molmil](/molmil-images/mine/6s1i) | Crystal Structure of DYRK1A with small molecule inhibitor | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, TETRAETHYLENE GLYCOL, ... | 著者 | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | 登録日 | 2019-06-18 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Mining Public Domain Data to Develop Selective DYRK1A Inhibitors. Acs Med.Chem.Lett., 11, 2020
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6U3X
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![BU of 6u3x by Molmil](/molmil-images/mine/6u3x) | PCSK9 in complex with compound 2 | 分子名称: | 2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(1,3-thiazol-2-yl)acetamide, Proprotein convertase subtilisin/kexin type 9 | 著者 | Lu, J, Soisson, S. | 登録日 | 2019-08-22 | 公開日 | 2019-11-06 | 最終更新日 | 2020-01-29 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chem Biol, 27, 2020
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6U2P
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![BU of 6u2p by Molmil](/molmil-images/mine/6u2p) | PCSK9 in complex with compound 5 | 分子名称: | 1,2-ETHANEDIOL, 2-fluoro-4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9 | 著者 | Lu, J, Soisson, S. | 登録日 | 2019-08-20 | 公開日 | 2019-11-06 | 最終更新日 | 2020-01-29 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chem Biol, 27, 2020
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4XI2
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3HYQ
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![BU of 3hyq by Molmil](/molmil-images/mine/3hyq) | Crystal Structure of Isopentenyl-Diphosphate delta-Isomerase from Salmonella entericase | 分子名称: | Isopentenyl-diphosphate Delta-isomerase | 著者 | Kim, Y, Zhou, M, Peterson, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2009-06-22 | 公開日 | 2009-06-30 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.525 Å) | 主引用文献 | Crystal Structure of Isopentenyl-Diphosphate delta-Isomerase from Salmonella entericase To be Published
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6XPQ
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6XPY
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6XQ4
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6XPR
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![BU of 6xpr by Molmil](/molmil-images/mine/6xpr) | Human antibody D2 H1-1/H3-1 H3 in complex with the influenza hemagglutinin head domain of A/Texas/50/2012(H3N2) | 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, Hemagglutinin, ... | 著者 | McCarthy, K.R, Harrison, S.C, Lee, J. | 登録日 | 2020-07-08 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (4.092 Å) | 主引用文献 | A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface. Mbio, 12, 2021
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6XPZ
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6XQ0
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6XQ2
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3GIU
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![BU of 3giu by Molmil](/molmil-images/mine/3giu) | 1.25 Angstrom Crystal Structure of Pyrrolidone-Carboxylate Peptidase (pcp) from Staphylococcus aureus | 分子名称: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2009-03-06 | 公開日 | 2009-03-17 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | 1.25 Angstrom Crystal Structure of Pyrrolidone-Carboxylate Peptidase (pcp) from Staphylococcus aureus TO BE PUBLISHED
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6GQK
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![BU of 6gqk by Molmil](/molmil-images/mine/6gqk) | Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 23) | 分子名称: | Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide | 著者 | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | 登録日 | 2018-06-07 | 公開日 | 2018-09-19 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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6GQM
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![BU of 6gqm by Molmil](/molmil-images/mine/6gqm) | Crystal structure of human c-KIT kinase domain in complex with a small molecule inhibitor, AZD3229 | 分子名称: | CHLORIDE ION, Mast/stem cell growth factor receptor Kit, ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | 著者 | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | 登録日 | 2018-06-07 | 公開日 | 2018-09-19 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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3GC2
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![BU of 3gc2 by Molmil](/molmil-images/mine/3gc2) | 1.85 Angstrom Crystal Structure of O-succinylbenzoate Synthase from Salmonella typhimurium in Complex with Succinic Acid | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, SODIUM ION, ... | 著者 | Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2009-02-21 | 公開日 | 2009-03-10 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | 1.85 Angstrom Crystal Structure of O-succinylbenzoate Synthase
from Salmonella typhimurium in Complex with Succinic Acid To be Published
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3GA7
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![BU of 3ga7 by Molmil](/molmil-images/mine/3ga7) | 1.55 Angstrom Crystal Structure of an Acetyl Esterase from Salmonella typhimurium | 分子名称: | Acetyl esterase, CHLORIDE ION | 著者 | Minasov, G, Wawrzak, Z, Brunzelle, J, Onopriyenko, O, Skarina, T, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2009-02-16 | 公開日 | 2009-02-24 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | 1.55 Angstrom Crystal Structure of an Acetyl Esterase from Salmonella typhimurium. TO BE PUBLISHED
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6S3L
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![BU of 6s3l by Molmil](/molmil-images/mine/6s3l) | Structure of the core of the flagellar export apparatus from Vibrio mimicus, the FliPQR-FlhB complex. | 分子名称: | Flagellar biosynthetic protein FlhB, Flagellar biosynthetic protein FliP, Flagellar biosynthetic protein FliQ, ... | 著者 | Kuhlen, L, Johnson, S, Deme, J.C, Lea, S.M. | 登録日 | 2019-06-25 | 公開日 | 2020-03-25 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | The substrate specificity switch FlhB assembles onto the export gate to regulate type three secretion. Nat Commun, 11, 2020
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6S3R
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![BU of 6s3r by Molmil](/molmil-images/mine/6s3r) | Structure of the FliPQR complex from the flagellar type 3 secretion system of Pseudomonas savastanoi. | 分子名称: | Flagellar biosynthetic protein FliP, Flagellar biosynthetic protein FliQ, Flagellar biosynthetic protein FliR | 著者 | Kuhlen, L, Johnson, S, Deme, J.C, Lea, S.M. | 登録日 | 2019-06-25 | 公開日 | 2020-03-25 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | The substrate specificity switch FlhB assembles onto the export gate to regulate type three secretion. Nat Commun, 11, 2020
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3GHZ
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![BU of 3ghz by Molmil](/molmil-images/mine/3ghz) | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Salmonella typhimurium | 分子名称: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, GLYCEROL, MAGNESIUM ION, ... | 著者 | Osipiuk, J, Gu, M, Peterson, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2009-03-04 | 公開日 | 2009-03-17 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | X-ray crystal structure of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Salmonella typhimurium. To be Published
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6GWK
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![BU of 6gwk by Molmil](/molmil-images/mine/6gwk) | The crystal structure of Hfq from Caulobacter crescentus | 分子名称: | RNA-binding protein Hfq | 著者 | Santiago-Frangos, A, Frohlich, K.S, Jeliazkov, J.R, Gray, J.R, Luisi, B.F, Woodson, S.A, Hardwick, S.W. | 登録日 | 2018-06-25 | 公開日 | 2019-05-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Caulobacter crescentusHfq structure reveals a conserved mechanism of RNA annealing regulation. Proc.Natl.Acad.Sci.USA, 116, 2019
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6GQQ
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![BU of 6gqq by Molmil](/molmil-images/mine/6gqq) | Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 35) | 分子名称: | Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | 著者 | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | 登録日 | 2018-06-07 | 公開日 | 2018-09-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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6S3S
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![BU of 6s3s by Molmil](/molmil-images/mine/6s3s) | Structure of the FliPQR complex from the flagellar type 3 secretion system of Vibrio mimicus. | 分子名称: | Flagellar biosynthetic protein FliP, Flagellar biosynthetic protein FliQ, Flagellar biosynthetic protein FliR | 著者 | Kuhlen, L, Johnson, S, Deme, J.C, Lea, S.M. | 登録日 | 2019-06-25 | 公開日 | 2020-03-25 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | The substrate specificity switch FlhB assembles onto the export gate to regulate type three secretion. Nat Commun, 11, 2020
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