4Q01
 
 | | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, K-Ras, MAGNESIUM ION, ... | | 著者 | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | | 登録日 | 2014-03-31 | | 公開日 | 2014-09-10 | | 実験手法 | X-RAY DIFFRACTION (1.291 Å) | | 主引用文献 | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
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3OIW
 | | H-RasG12V with allosteric switch in the "on" state | | 分子名称: | ACETATE ION, CALCIUM ION, GTPase HRas, ... | | 著者 | Kumar, S, Buhrman, G, Mattos, C. | | 登録日 | 2010-08-20 | | 公開日 | 2010-12-08 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Allosteric Modulation of Ras-GTP Is Linked to Signal Transduction through RAF Kinase.
J.Biol.Chem., 286, 2011
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6P0L
 | | Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds. | | 分子名称: | 4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | | 登録日 | 2019-05-17 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7RPZ
 | | KRAS G12D in complex with MRTX-1133 | | 分子名称: | 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}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | 著者 | Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A. | | 登録日 | 2021-08-05 | | 公開日 | 2021-12-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor.
J.Med.Chem., 65, 2022
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3K8Y
 | | Allosteric modulation of H-Ras GTPase | | 分子名称: | ACETATE ION, CALCIUM ION, GTPase HRas, ... | | 著者 | Holzapfel, G, Buhrman, G, Mattos, C. | | 登録日 | 2009-10-15 | | 公開日 | 2010-03-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Allosteric modulation of Ras positions Q61 for a direct role in catalysis.
Proc.Natl.Acad.Sci.USA, 107, 2010
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2CLC
 | | CRYSTAL STRUCTURE ANALYSIS OF A FLUORESCENT FORM OF H-RAS P21 IN COMPLEX WITH GTP (2) | | 分子名称: | GTPASE HRAS, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Klink, B.U, Goody, R.S, Scheidig, A.J. | | 登録日 | 2006-04-27 | | 公開日 | 2006-05-24 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | A Newly Designed Microspectrofluorometer for Kinetic Studies on Protein Crystals in Combination with X-Ray Diffraction
Biophys.J., 91, 2006
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1X1R
 | | Crystal structure of M-Ras in complex with GDP | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein M-Ras | | 著者 | Ye, M, Shima, F, Muraoka, S, Liao, J, Okamoto, H, Yamamoto, M, Tamura, A, Yagi, N, Ueki, T, Kataoka, T. | | 登録日 | 2005-04-12 | | 公開日 | 2005-07-26 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Crystal Structure of M-Ras Reveals a GTP-bound "Off" State Conformation of Ras Family Small GTPases
J.Biol.Chem., 280, 2005
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5C4M
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3TGP
 | | Room temperature H-ras | | 分子名称: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | 著者 | Fraser, J.S, Alber, T. | | 登録日 | 2011-08-17 | | 公開日 | 2011-10-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.3075 Å) | | 主引用文献 | Accessing protein conformational ensembles using room-temperature X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 108, 2011
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7G83
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z108545814 | | 分子名称: | 3-propanamido-1-benzofuran-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2023-06-22 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | ARHGEF2 PanDDA analysis group deposition
To Be Published
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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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6P0J
 | | Crystal structure of GDP-bound human RalA | | 分子名称: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Ral-A | | 著者 | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Meroueh, S.O. | | 登録日 | 2019-05-17 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6T5V
 | | KRasG12C ligand complex | | 分子名称: | 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Phillips, C. | | 登録日 | 2019-10-17 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
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4DLR
 | | H-Ras PEG 400/Ca(OAc)2, ordered off | | 分子名称: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, CALCIUM ION, GTPase HRas, ... | | 著者 | Holzapfel, G, Mattos, C. | | 登録日 | 2012-02-06 | | 公開日 | 2012-08-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.319 Å) | | 主引用文献 | Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
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8BWG
 | | HRas (1-166) Y64 phosphorylation | | 分子名称: | GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Baumann, P, Jin, Y. | | 登録日 | 2022-12-06 | | 公開日 | 2023-09-27 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.32 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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7ROV
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3OIU
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7A1X
 | | KRASG12C GDP form in complex with Cpd1 | | 分子名称: | 3-(imidazol-1-ylmethyl)-1~{H}-indole, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Mathieu, M, Steier, V. | | 登録日 | 2020-08-14 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | KRAS G12C fragment screening renders new binding pockets.
Small Gtpases, 13, 2022
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1X3S
 | | Crystal structure of human Rab18 in complex with Gppnhp | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-18 | | 著者 | Kukimoto-Niino, M, Murayama, K, Chen, L, Liu, Z.J, Wang, B.C, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2005-05-10 | | 公開日 | 2005-11-10 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Crystal structure of human Rab18 in complex with Gppnhp
To be Published
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1Z0J
 | | Structure of GTP-Bound Rab22Q64L GTPase in complex with the minimal Rab binding domain of Rabenosyn-5 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FYVE-finger-containing Rab5 effector protein rabenosyn-5, GLYCEROL, ... | | 著者 | Eathiraj, S, Pan, X, Ritacco, C, Lambright, D.G. | | 登録日 | 2005-03-01 | | 公開日 | 2005-07-26 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Structural basis of family-wide Rab GTPase recognition by rabenosyn-5.
Nature, 436, 2005
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8FMJ
 | | Crystal structure of human KRAS in space group R32 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Brenner, R, Landgraf, A, Gonzalez-Gutierrez, G, Bum-Erdene, K, Meroueh, S.O. | | 登録日 | 2022-12-23 | | 公開日 | 2023-11-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Crystal Packing Reveals a Potential Autoinhibited KRAS Dimer Interface and a Strategy for Small-Molecule Inhibition of RAS Signaling.
Biochemistry, 62, 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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5WDP
 | | H-Ras mutant L120A bound to GMP-PNP at 277K | | 分子名称: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | 著者 | Cofsky, J.C, Bandaru, P, Gee, C.L, Kuriyan, J. | | 登録日 | 2017-07-05 | | 公開日 | 2017-07-19 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
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8CNJ
 | | HRas(1-166) in complex with GDP and BeF3- | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, BERYLLIUM TRIFLUORIDE ION, GTPase HRas, ... | | 著者 | Baumann, P, Jin, Y. | | 登録日 | 2023-02-23 | | 公開日 | 2023-09-27 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.35 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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3KKP
 | | Crystal structure of M-Ras P40D in complex with GppNHp | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein M-Ras | | 著者 | Muraoka, S, Shima, F, Liao, J, Ijiri, Y, Matsumoto, K, Ye, M, Inoue, T, Kataoka, T. | | 登録日 | 2009-11-06 | | 公開日 | 2010-06-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structural basis for conformational dynamics of GTP-bound Ras protein
J.Biol.Chem., 285, 2010
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