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8GI6
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BU of 8gi6 by Molmil
Crystal structure of RhoA mutant L69R complexed with GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA
著者Chen, X, Qian, X, Chandravanshi, M, Lowy, D.R, Walters, K.J.
登録日2023-03-13
公開日2024-03-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Ras-like GTPases mutant structures
To be published
8GI3
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BU of 8gi3 by Molmil
Crystal structure of RhoA mutant L69P complexed with GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA
著者Chen, X, Qian, X, Chandravanshi, M, Lowy, D.R, Walters, K.J.
登録日2023-03-13
公開日2024-03-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Ras-like GTPases mutants structure
To be published
521P
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BU of 521p by Molmil
THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES
分子名称: GUANOSINE-5'-TRIPHOSPHATE, H-RAS P21 PROTEIN, MAGNESIUM ION
著者Schlichting, I, Krengel, U, Kabsch, W, Wittinghofer, A, Pai, E.F.
登録日1991-06-06
公開日1994-01-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
5B30
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BU of 5b30 by Molmil
H-Ras WT in complex with GppNHp (state 1) after structural transition by humidity control
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Kumasaka, T, Miyano, N, Baba, S, Matsumoto, S, Kataoka, T, Shima, F.
登録日2016-02-08
公開日2016-06-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular Mechanism for Conformational Dynamics of Ras-GTP Elucidated from In-Situ Structural Transition in Crystal
Sci Rep, 6, 2016
6UT0
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BU of 6ut0 by Molmil
Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Vigers, G.P, Smith, D.J.
登録日2019-10-29
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
6V6M
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BU of 6v6m by Molmil
Crystal structure of an inactive state of GMPPNP-bound RhoA
分子名称: 1,4-DIETHYLENE DIOXIDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Lin, Y, Zheng, Y.
登録日2019-12-05
公開日2020-12-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Structure of an inactive conformation of GTP-bound RhoA GTPase.
Structure, 29, 2021
6V6U
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BU of 6v6u by Molmil
Crystal structure of RhoA-GDP with novel Switch I conformation
分子名称: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Lin, Y, Zheng, Y.
登録日2019-12-06
公開日2020-12-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Structure of an inactive conformation of GTP-bound RhoA GTPase.
Structure, 29, 2021
6FA3
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BU of 6fa3 by Molmil
Antibody derived (Abd-6) small molecule binding to KRAS.
分子名称: DIMETHYL SULFOXIDE, GTPase KRas, MAGNESIUM ION, ...
著者Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
登録日2017-12-15
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
6WGH
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BU of 6wgh by Molmil
Crystal structure of GDP-bound NRAS with ten residues long internal tandem duplication in the switch II region
分子名称: CITRATE ANION, GLYCEROL, GTPase NRas, ...
著者Dharmaiah, S, Simanshu, D.K.
登録日2020-04-05
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献RASinternal tandem duplication disrupts GTPase-activating protein (GAP) binding to activate oncogenic signaling.
J.Biol.Chem., 295, 2020
6FA2
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BU of 6fa2 by Molmil
Antibody derived (Abd-5) small molecule binding to KRAS.
分子名称: 4-[2-(dimethylamino)ethoxy]-~{N}-[[(3~{R})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide, GTPase KRas, MAGNESIUM ION, ...
著者Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H.
登録日2017-12-15
公開日2018-09-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
6GOE
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BU of 6goe by Molmil
KRAS full length G12V GPPNHP
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H.
登録日2018-06-01
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6GOG
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BU of 6gog by Molmil
KRAS-169 Q61H GPPNHP
分子名称: CITRIC ACID, GTPase KRas, MAGNESIUM ION, ...
著者Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H.
登録日2018-06-01
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6GJ5
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BU of 6gj5 by Molmil
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 15
分子名称: (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
著者Kessler, D, Mcconnell, D.M, Mantoulidis, A.
登録日2018-05-16
公開日2019-07-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
6GOF
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BU of 6gof by Molmil
KRAS full length G12D GPPNHP
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H.
登録日2018-06-01
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6GQW
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BU of 6gqw by Molmil
KRAS-169 Q61H GPPNHP + CH-1
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
登録日2018-06-08
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5C1T
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BU of 5c1t by Molmil
Crystal structure of the GTP-bound wild type EhRabX3 from Entamoeba histolytica
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Small GTPase EhRabX3
著者Srivastava, V.K, Chandra, M, Datta, S.
登録日2015-06-15
公開日2016-04-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Crystal Structure Analysis of Wild Type and Fast Hydrolyzing Mutant of EhRabX3, a Tandem Ras Superfamily GTPase from Entamoeba histolytica.
J.Mol.Biol., 428, 2016
5C4M
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BU of 5c4m by Molmil
RhoA GDP with novel switch II conformation
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA
著者Pellegrini, E, Bowler, M.W.
登録日2015-06-18
公開日2016-06-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献RhoA GDP with novel switch II conformation
To Be Published
5E95
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BU of 5e95 by Molmil
Crystal Structure of Mb(NS1)/H-Ras Complex
分子名称: GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Eguchi, R.R, Sha, F, Gupta, A, Koide, A, Koide, S.
登録日2015-10-14
公開日2016-11-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.402 Å)
主引用文献Inhibition of RAS function through targeting an allosteric regulatory site.
Nat. Chem. Biol., 13, 2017
6X1G
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BU of 6x1g by Molmil
Crystal structure of a GEF domain from the Orientia tsutsugamushi protein OtDUB in complex with Rac1
分子名称: MAGNESIUM ION, Ras-related C3 botulinum toxin substrate 1, ULP_PROTEASE domain-containing protein
著者Lim, C.S, Xiong, Y.
登録日2020-05-18
公開日2020-11-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of a guanine nucleotide exchange factor encoded by the scrub typhus pathogen Orientia tsutsugamushi .
Proc.Natl.Acad.Sci.USA, 117, 2020
8CPR
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BU of 8cpr by Molmil
G13D mutant of KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation crystallized in sodium potassium phosphate buffer
分子名称: GTPase KRas, N-terminally processed, GUANOSINE-5'-DIPHOSPHATE, ...
著者Moche, M, Jungholm, O, Strandback, E, Ampah-Korsah, H, Nyman, T, Orwar, O.
登録日2023-03-03
公開日2024-06-12
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Novel druggable space in human KRAS G13D discovered using structural bioinformatics and a P-loop targeting monoclonal antibody.
Sci Rep, 14, 2024
6WHE
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BU of 6whe by Molmil
Structure of phosphomimetic Rab8a GTPase (T72E) in the GTP-bound state
分子名称: GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Waschbusch, D, Khan, A.R.
登録日2020-04-08
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Dual arginine recognition of LRRK2 phosphorylated Rab GTPases.
Biophys.J., 120, 2021
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)
分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ...
著者Zhang, Z, Morstein, J, Ecker, A, Guiley, K.Z, Shokat, K.M.
登録日2022-05-19
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Chemoselective Covalent Modification of K-Ras(G12R) with a Small Molecule Electrophile.
J.Am.Chem.Soc., 144, 2022
6WS4
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BU of 6ws4 by Molmil
Crystal structure of KRAS-G12D/K104Q mutant, GDP-bound
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Tran, T.H, Simanshu, D.K.
登録日2020-04-30
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Allosteric regulation of switch-II domain controls KRAS oncogenicity.
Cancer Res., 2023
6WS2
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BU of 6ws2 by Molmil
Crystal structure of KRAS-K104Q mutant, GDP-bound
分子名称: CHLORIDE ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Tran, T.H, Simanshu, D.K.
登録日2020-04-30
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Allosteric regulation of switch-II domain controls KRAS oncogenicity.
Cancer Res., 2023
3OIW
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BU of 3oiw by Molmil
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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件を2024-09-11に公開中

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