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6N2K
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BU of 6n2k by Molmil
Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C
Descriptor: 1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Vigers, G.P.
Deposit date:2018-11-13
Release date:2018-12-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery of Tetrahydropyridopyrimidines as Irreversible Covalent Inhibitors of KRAS-G12C with In Vivo Activity.
ACS Med Chem Lett, 9, 2018
8BWG
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BU of 8bwg by Molmil
HRas (1-166) Y64 phosphorylation
Descriptor: GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Baumann, P, Jin, Y.
Deposit date:2022-12-06
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes.
Commun Chem, 7, 2024
6MQN
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BU of 6mqn by Molmil
Crystal structure of KRAS V14I-GDP demonstrating disorder switch 1 conformation - Form 2
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE
Authors:Bera, A.K, Westover, K.D.
Deposit date:2018-10-10
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis of the atypical activation mechanism of KRASV14I.
J.Biol.Chem., 294, 2019
2IWR
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BU of 2iwr by Molmil
Gtpase Like Domain Of Centaurin Gamma 1 (Human)
Descriptor: CENTAURIN GAMMA 1
Authors:Elkins, J.M, Soundararajan, M, Yang, X, Papagrigoriou, E, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2006-07-03
Release date:2006-07-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Centaurin Gamma-1 Gtpase-Like Domain Functions as an Ntpase.
Biochem.J., 401, 2007
1WMS
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BU of 1wms by Molmil
High resolution crystal structure of human Rab9 GTPase: a novel antiviral drug target
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-9A
Authors:Chen, L, DiGiammarino, E, Zhou, X.E, Wang, Y, Toh, D, Hodge, T.W, Meehan, E.J.
Deposit date:2004-07-16
Release date:2004-09-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:High resolution crystal structure of human Rab9 GTPase: A novel antiviral drug target
J.Biol.Chem., 279, 2004
6MS9
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BU of 6ms9 by Molmil
GDP-bound KRAS P34R mutant
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Bera, A.K, Westover, K.D.
Deposit date:2018-10-16
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRASP34R.
Birth Defects Res, 112, 2020
1X1S
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BU of 1x1s by Molmil
Crystal structure of M-Ras in complex with GppNHp
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein M-Ras
Authors:Ye, M, Shima, F, Muraoka, S, Liao, J, Okamoto, H, Yamamoto, M, Tamura, A, Yagi, N, Ueki, T, Kataoka, T.
Deposit date:2005-04-13
Release date:2005-07-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of M-Ras Reveals a GTP-bound "Off" State Conformation of Ras Family Small GTPases
J.Biol.Chem., 280, 2005
1X3S
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BU of 1x3s by Molmil
Crystal structure of human Rab18 in complex with Gppnhp
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-18
Authors:Kukimoto-Niino, M, Murayama, K, Chen, L, Liu, Z.J, Wang, B.C, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-10
Release date:2005-11-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Crystal structure of human Rab18 in complex with Gppnhp
To be Published
1X1R
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BU of 1x1r by Molmil
Crystal structure of M-Ras in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein M-Ras
Authors:Ye, M, Shima, F, Muraoka, S, Liao, J, Okamoto, H, Yamamoto, M, Tamura, A, Yagi, N, Ueki, T, Kataoka, T.
Deposit date:2005-04-12
Release date:2005-07-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of M-Ras Reveals a GTP-bound "Off" State Conformation of Ras Family Small GTPases
J.Biol.Chem., 280, 2005
6O36
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BU of 6o36 by Molmil
Crystal structure of human KRAS P34R mutant in complex with GNP
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Bera, A.K, Westover, K.D.
Deposit date:2019-02-26
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRASP34R.
Birth Defects Res, 112, 2020
7TLK
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BU of 7tlk by Molmil
Crystal Structure of K-Ras(G12S)
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Ziyang, Z, Guiley, K.Z, Shokat, K.M.
Deposit date:2022-01-18
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.71102226 Å)
Cite:Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S).
Nat.Chem.Biol., 18, 2022
7TLG
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BU of 7tlg by Molmil
Crystal Structure of small molecule beta-lactone 5 covalently bound to K-Ras(G12S)
Descriptor: (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Ziyang, Z, Guiley, K.Z, Shokat, K.M.
Deposit date:2022-01-18
Release date:2022-08-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.80000722 Å)
Cite:Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S).
Nat.Chem.Biol., 18, 2022
1XCM
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BU of 1xcm by Molmil
Crystal structure of the GppNHp-bound H-Ras G60A mutant
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Transforming protein p21/H-Ras-1
Authors:Ford, B, Nassar, N.
Deposit date:2004-09-02
Release date:2005-05-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal structure of the GppNHp-bound form of the RasG60A mutant
To be Published
7TLE
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BU of 7tle by Molmil
Crystal Structure of small molecule beta-lactone 1 covalently bound to K-Ras(G12S)
Descriptor: (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Ziyang, Z, Guiley, K.Z, Shokat, K.M.
Deposit date:2022-01-18
Release date:2022-08-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.98716748 Å)
Cite:Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S).
Nat.Chem.Biol., 18, 2022
8CX5
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BU of 8cx5 by Molmil
Crystal Structure of small molecule alpha,beta-ketoamide 4 covalently bound to K-Ras(G12R)
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ...
Authors:Zhang, Z, Morstein, J, Ecker, A, Guiley, K.Z, Shokat, K.M.
Deposit date:2022-05-19
Release date:2022-08-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Chemoselective Covalent Modification of K-Ras(G12R) with a Small Molecule Electrophile.
J.Am.Chem.Soc., 144, 2022
6NAZ
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BU of 6naz by Molmil
Crystal structure of DIRAS 2/3 chimera in complex with GDP
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, GTP-binding protein Di-Ras2,GTP-binding protein Di-Ras3,GTP-binding protein Di-Ras2, ...
Authors:Gilbert, Y.H, Reger, A, Sharma, R, Bast, J, Kim, C.
Deposit date:2018-12-06
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.081 Å)
Cite:Crystal structure of DIRAS 2/3 chimera in complex with GDP
To Be Published
2LWI
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BU of 2lwi by Molmil
Solution structure of H-RasT35S mutant protein in complex with Kobe2601
Descriptor: 2-(2,4-dinitrophenyl)-N-(4-fluorophenyl)hydrazinecarbothioamide, GTPase HRas, MAGNESIUM ION, ...
Authors:Araki, M, Tamura, A, Shima, F, Kataoka, T.
Deposit date:2012-08-01
Release date:2013-05-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:In silico discovery of small-molecule Ras inhibitors that display antitumor activity by blocking the Ras-effector interaction.
Proc.Natl.Acad.Sci.USA, 110, 2013
2MMG
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BU of 2mmg by Molmil
Structural Characterization of the Mengovirus Leader Protein Bound to Ran GTPase by Nuclear Magnetic Resonance
Descriptor: GTP-binding nuclear protein Ran
Authors:Bacot-Davis, V.R, Palmenberg, A.C, Cornilescu, C.C, Markley, J.L.
Deposit date:2014-03-15
Release date:2014-10-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structures of Mengovirus Leader protein, its phosphorylated derivatives, and in complex with nuclear transport regulatory protein, RanGTPase.
Proc.Natl.Acad.Sci.USA, 111, 2014
7TAM
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BU of 7tam by Molmil
HRas G12V in complex with GDP
Descriptor: CALCIUM ION, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Kouidmi, I, Maddalena, M, Laplante, S.
Deposit date:2021-12-21
Release date:2022-12-28
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:SI/II Pocket of Ras: An Opportunity for a Once "Undruggable" Target
Acs Omega, 2025
6O46
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BU of 6o46 by Molmil
Crystal structure of human KRAS P34R mutant in complex with GNP and Phosphate
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Bera, A.K, Westover, K.D.
Deposit date:2019-02-28
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRASP34R.
Birth Defects Res, 112, 2020
2J0V
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BU of 2j0v by Molmil
The crystal structure of Arabidopsis thaliana RAC7-ROP9: the first RAS superfamily GTPase from the plant kingdom
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAC-LIKE GTP-BINDING PROTEIN ARAC7
Authors:Sormo, C.G, Leiros, I, Brembu, T, Winge, P, Os, V, Bones, A.M.
Deposit date:2006-08-07
Release date:2006-10-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The Crystal Structure of Arabidopsis Thaliana Rac7/Rop9: The First Ras Superfamily Gtpase from the Plant Kingdom.
Phytochemistry, 67, 2006
2IEY
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BU of 2iey by Molmil
Crystal Structure of mouse Rab27b bound to GDP in hexagonal space group
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-27B
Authors:Chavas, L.M.G, Torii, S, Kamikubo, H, Kawasaki, M, Ihara, K, Kato, R, Kataoka, M, Izumi, T, Wakatsuki, S.
Deposit date:2006-09-19
Release date:2007-05-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Structure of the small GTPase Rab27b shows an unexpected swapped dimer
Acta Crystallogr.,Sect.D, 63, 2007
6MQG
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BU of 6mqg by Molmil
Crystal structure of KRAS V14I-GDP demonstrating open switch 1 conformation - Form 1
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE
Authors:Bera, A.K, Westover, K.D.
Deposit date:2018-10-09
Release date:2019-07-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of the atypical activation mechanism of KRASV14I.
J.Biol.Chem., 294, 2019
2IF0
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BU of 2if0 by Molmil
Crystal Structure of mouse Rab27b bound to GDP in monoclinic space group
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-27B
Authors:Chavas, L.M.G, Torii, S, Kamikubo, H, Kawasaki, M, Ihara, K, Kato, R, Kataoka, M, Izumi, T, Wakatsuki, S.
Deposit date:2006-09-19
Release date:2007-05-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the small GTPase Rab27b shows an unexpected swapped dimer
Acta Crystallogr.,Sect.D, 63, 2007
1VG8
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BU of 1vg8 by Molmil
GPPNHP-Bound Rab7
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-7
Authors:Rak, A, Pylypenko, O, Niculae, A, Pyatkov, K, Goody, R.S, Alexandrov, K.
Deposit date:2004-04-23
Release date:2004-07-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the Rab7:REP-1 complex: insights into the mechanism of Rab prenylation and choroideremia disease
Cell(Cambridge,Mass.), 117, 2004

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