8TXG
 
 | | Crystal structure of KRAS G12D in complex with GDP and compound 8 | | 分子名称: | (4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Chen, P, Irimia, A, Yang, Z. | | 登録日 | 2023-08-23 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8TXH
 | | Crystal structure of KRAS G12D in complex with GDP and compound 14 | | 分子名称: | (4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Chen, P, Irimia, A, Yang, Z. | | 登録日 | 2023-08-23 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8TXE
 | | Crystal structure of KRAS G12D in complex with GDP and compound 5 | | 分子名称: | (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Chen, P, Irimia, A, Yang, Z. | | 登録日 | 2023-08-23 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8UN5
 | | KRAS-G13D-GDP in complex with Cpd38 ((E)-1-((3S)-4-(7-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-2-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one) | | 分子名称: | (2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one, GLYCEROL, GTPase KRas, ... | | 著者 | Ultsch, M.H. | | 登録日 | 2023-10-18 | | 公開日 | 2023-12-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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8UN3
 | | KRAS-G13D-GDP in complex with Cpd5 (1-((S)-10-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-11-chloro-7-(((2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl)methoxy)-3,4,13,13a-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-2(1H)-yl)prop-2-en-1-one) | | 分子名称: | 1,2-ETHANEDIOL, 1-[(5M,8aS,13R)-5-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-2-{[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy}-8a,9,11,12-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-10(8H)-yl]prop-2-en-1-one, CHLORIDE ION, ... | | 著者 | Ultsch, M.H. | | 登録日 | 2023-10-18 | | 公開日 | 2023-12-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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8UN4
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8DNK
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8DNJ
 | | Crystal structure of human KRAS G12C covalently bound with AstraZeneca WO2020/178282A1 compound 76 | | 分子名称: | 1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | 著者 | Mohr, C. | | 登録日 | 2022-07-11 | | 公開日 | 2022-08-17 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors.
J.Comput.Aided Mol.Des., 36, 2022
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8DNI
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3Q72
 | | Crystal Structure of Rad G-domain-GTP Analog Complex | | 分子名称: | CALCIUM ION, GTP-binding protein RAD, MAGNESIUM ION, ... | | 著者 | Sasson, Y, Navon-Perry, L, Hirsch, J.A. | | 登録日 | 2011-01-04 | | 公開日 | 2011-09-21 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.655 Å) | | 主引用文献 | RGK Family G-Domain:GTP Analog Complex Structures and Nucleotide-Binding Properties.
J.Mol.Biol., 413, 2011
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3Q7P
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3PIT
 | | Crystal structure of M-RasD41E in complex with GppNHp (type 2) | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein M-Ras | | 著者 | Muraoka, S, Matsumoto, K, Shima, F, Hu, L, Ijiri, Y, Hirai, R, Liao, J, Kataoka, T. | | 登録日 | 2010-11-08 | | 公開日 | 2011-03-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Crystal structure of M-RasD41E in complex with GppNHp (type 2)
To be Published
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8EBZ
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8ELR
 | | HRAS R97F Crystal Form 2 | | 分子名称: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | 著者 | Johnson, C.W, Mattos, C. | | 登録日 | 2022-09-26 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
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8ELU
 | | HRAS R97G Crystal form 1 | | 分子名称: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | 著者 | Johnson, C.W, Rodrigues, J.A, Mattos, C. | | 登録日 | 2022-09-26 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
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8ELW
 | | HRAS R97A Crystal Form 1 T-State | | 分子名称: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | 著者 | Davis, K, Johnson, C.W, Mattos, C. | | 登録日 | 2022-09-26 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.699 Å) | | 主引用文献 | Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
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8ELY
 | | HRAS R97M Crystal Form 2 | | 分子名称: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | 著者 | Johnson, C.W, Mattos, C. | | 登録日 | 2022-09-26 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
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8ECR
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8ELZ
 | | HRAS R97M Crystal Form 1 | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, GTPase HRas, ... | | 著者 | Johnson, C.W, Mattos, C. | | 登録日 | 2022-09-26 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.961 Å) | | 主引用文献 | Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
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8EDY
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8ELS
 | | HRAS R97A Crystal Form 1 R-state | | 分子名称: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | 著者 | Davis, D, Johnson, C.W, Mattos, C. | | 登録日 | 2022-09-26 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.267 Å) | | 主引用文献 | Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
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8EER
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8EIE
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8ETD
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8CNN
 | | BeF3 Phospho-HRas GSA complex | | 分子名称: | ACETATE ION, BERYLLIUM TRIFLUORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Baumann, P, Jin, Y. | | 登録日 | 2023-02-23 | | 公開日 | 2023-09-27 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes.
Commun Chem, 7, 2024
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